"NCC12CC3(CO[N+](=O)[O-])CC(C2)(CC(C1)(C3)C)C" . "CC12CC3(C)CC(CN)(C1)CC(CO[N+](=O)[O-])(C2)C3" . "SYDDVDMTNCXIDJ-UHFFFAOYSA-N" . "InChI=1S/C14H24N2O3/c1-11-3-12(2)5-13(4-11,9-15)8-14(6-11,7-12)10-19-16(17)18/h3-10,15H2,1-2H3" . "SC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O" . "Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CS)O" . "CPEAGKYEYPXTSP-XLPZGREQSA-N" . "InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1" . "[N-]=[N+]=NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O" . "Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CN=[N+]=[N-])O" . "GKEHVJFBPNPCKI-XLPZGREQSA-N" . "InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1" . "CCCOc1ccccc1C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "CCCOc1ccccc1C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F" . "AQJBXYBDNZHZRE-UHFFFAOYSA-N" . "InChI=1S/C17H15ClF3NO2/c1-2-9-24-15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(10-11)17(19,20)21/h3-8,10H,2,9H2,1H3,(H,22,23)" . "O=C(Nc1c(Cl)n(CC#Cc2ccc(c(c2)Cn2ccccc2=O)O)c(=O)n(c1=O)C)CCc1ccc(cc1)C" . "Clc1c(c(=O)n(c(=O)n1CC#Cc1cc(c(cc1)O)Cn1c(=O)cccc1)C)NC(=O)CCc1ccc(cc1)C" . "ATSRNJYTNQHJIO-UHFFFAOYSA-N" . "InChI=1S/C30H27ClN4O5/c1-20-8-10-21(11-9-20)13-15-25(37)32-27-28(31)35(30(40)33(2)29(27)39)17-5-6-22-12-14-24(36)23(18-22)19-34-16-4-3-7-26(34)38/h3-4,7-12,14,16,18,36H,13,15,17,19H2,1-2H3,(H,32,37)" . "CN1CCN(CC1)CCc1ccc(c(c1)Cl)Cl" . "CN1CCN(CC1)CCc1cc(c(cc1)Cl)Cl" . "SUIZRDJCBVPASY-UHFFFAOYSA-N" . "InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3" . "C[C@@H]1CN(CCN1C(=O)C)c1cc(nnc1N)c1ccccc1O" . "C[C@@H]1CN(CCN1C(=O)C)c1cc(nnc1N)c1ccccc1O" . "FHRKRGDHMCCDEO-LLVKDONJSA-N" . "InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1" . "COC(=O)NCCCn1nc(c2c1nc(C)cc2)[C@H](N(C(=O)[C@H]1CNCCO1)C1CC1)C" . "COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12" . "GRTDDIZIUSADLD-CRAIPNDOSA-N" . "InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1" . "Cc1nnc(s1)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cn1cc(Cl)c(=O)c(c1)Cl" . "Cc1nnc(s1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cn2cc(c(=O)c(c2)Cl)Cl)SC1)C(=O)O" . "VTLCNEGVSVJLDN-MLGOLLRUSA-N" . "InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)CSc1ccncc1" . "CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSc2ccncc2)SC1)C(=O)O" . "UQLLWWBDSUHNEB-CZUORRHYSA-N" . "InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1" . "CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N" . "CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c2ccccc2)N)SC1)C(=O)O" . "FUBBGQLTSCSAON-PBFPGSCMSA-N" . "InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1" . "O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1n[nH]nc1" . "C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N)C(=O)O)CSc1n[nH]nc1" . "UOCJDOLVGGIYIQ-PBFPGSCMSA-N" . "InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1" . "CC(=O)OCC1=C(N2[C@H](SC1)[C@@H](C2=O)NC(=O)CC#N)C(=O)O" . "CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O" . "RRYMAQUWDLIUPV-BXKDBHETSA-N" . "InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1" . "Nc1ncc2c(n1)c1c(CCC2)[nH]c2c1cc(C#CC(O)(C)C)cc2" . "CC(C)(C#Cc1cc2c(cc1)[nH]c1c2c2c(CCC1)cnc(n2)N)O" . "DGLFSNZWRYADFC-UHFFFAOYSA-N" . "InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)" . "CN(CC#Cc1ccc2c(c1)c1c([nH]2)CCCc2c1nc(N)nc2)C" . "Nc1ncc2CCCc3c(c2n1)c1c([nH]3)ccc(c1)C#CCN(C)C" . "DORZPJWJOBMQKC-UHFFFAOYSA-N" . "InChI=1S/C20H21N5/c1-25(2)10-4-5-13-8-9-16-15(11-13)18-17(23-16)7-3-6-14-12-22-20(21)24-19(14)18/h8-9,11-12,23H,3,6-7,10H2,1-2H3,(H2,21,22,24)" . "CCOCc1cnc(nc1Oc1ccc2c(n1)ccc1c2c2NC[C@H](NC(=O)c2s1)C)Cl" . "CCOCc1cnc(nc1Oc1nc2c(cc1)c1c(cc2)sc2c1NC[C@H](NC2=O)C)Cl" . "PYOQIOLRFIRRSO-LLVKDONJSA-N" . "InChI=1S/C22H20ClN5O3S/c1-3-30-10-12-9-25-22(23)28-21(12)31-16-7-4-13-14(27-16)5-6-15-17(13)18-19(32-15)20(29)26-11(2)8-24-18/h4-7,9,11,24H,3,8,10H2,1-2H3,(H,26,29)/t11-/m1/s1" . "OC[C@@H](N(C(=O)c1cc(ccc1C)c1c(C)nn2c1nc(cc2NCc1cccc(c1)c1nccn1C)C(O)(C)C)C)C" . "Cc1c(cc(cc1)c1c2nc(cc(n2nc1C)NCc1cc(ccc1)c1nccn1C)C(C)(C)O)C(=O)N(C)[C@@H](C)CO" . "LGILUCRVDGGDMI-NRFANRHFSA-N" . "InChI=1S/C33H39N7O3/c1-20-11-12-24(16-26(20)32(42)39(7)21(2)19-41)29-22(3)37-40-28(17-27(33(4,5)43)36-31(29)40)35-18-23-9-8-10-25(15-23)30-34-13-14-38(30)6/h8-17,21,35,41,43H,18-19H2,1-7H3/t21-/m0/s1" . "O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCC1)NCc1ccccc1" . "N1(CCC1)c1ccc(cc1)c1ccc(nc1)CC(=O)NCc1ccccc1" . "KUPDBUBFYCYCNJ-UHFFFAOYSA-N" . "InChI=1S/C23H23N3O/c27-23(25-16-18-5-2-1-3-6-18)15-21-10-7-20(17-24-21)19-8-11-22(12-9-19)26-13-4-14-26/h1-3,5-12,17H,4,13-16H2,(H,25,27)" . "O=c1onc([nH]1)[C@@]1(C[C@@H]1C)n1c(cc2c1ccc(c2)[C@H]1CCOC(C1)(C)C)C(=O)N1CCc2c([C@@H]1C)c(n(n2)c1cc(C)c(c(c1)C)F)n1ccn(c1=O)c1ccc2c(c1F)cnn2C" . "C[C@H]1C[C@]1(c1noc(=O)[nH]1)n1c2c(cc(cc2)[C@H]2CCOC(C2)(C)C)cc1C(=O)N1CCc2nn(c(c2[C@@H]1C)n1ccn(c1=O)c1c(c2c(cc1)n(nc2)C)F)c1cc(c(c(c1)C)F)C" . "USUWIEBBBWHKNI-KHIFEHGGSA-N" . "InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1" . "CC(C[C@@H](B(O)O)NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)Cc1ccccc1)C" . "OB([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F)O" . "QTRFWSIBLJYXFJ-ROUUACIJSA-N" . "InChI=1S/C21H25BF2N2O4/c1-13(2)11-18(22(29)30)26-20(27)17(12-14-7-4-3-5-8-14)25-21(28)19-15(23)9-6-10-16(19)24/h3-10,13,17-18,29-30H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t17-,18-/m0/s1" . "CCN1CCC(CC1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2" . "CCN1CCC(CC1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2" . "OHIFQOUPTWBQLE-UHFFFAOYSA-N" . "InChI=1S/C20H29N3O3S/c1-2-23-11-9-16(10-12-23)27(25,26)22-20(24)21-19-17-7-3-5-14(17)13-15-6-4-8-18(15)19/h13,16H,2-12H2,1H3,(H2,21,22,24)" . "[O-]C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1cc[n+](n1)C" . "C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])Cn1cc[n+](n1)C" . "HFZITXBUTWITPT-YWVKMMECSA-N" . "InChI=1S/C11H14N4O5S/c1-11(6-14-4-3-13(2)12-14)9(10(17)18)15-7(16)5-8(15)21(11,19)20/h3-4,8-9H,5-6H2,1-2H3/t8-,9+,11+/m1/s1" . "CCNNC(=O)c1ccc(cc1)CN1c2ccccc2C=Cc2c1cncc2" . "O=C(NNCC)c1ccc(cc1)CN1c2ccccc2C=Cc2c1cncc2" . "ZNRZSMMDQXGEGA-UHFFFAOYSA-N" . "InChI=1S/C23H22N4O/c1-2-25-26-23(28)20-9-7-17(8-10-20)16-27-21-6-4-3-5-18(21)11-12-19-13-14-24-15-22(19)27/h3-15,25H,2,16H2,1H3,(H,26,28)" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O" . "C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]1C[C@H](NC1)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O" . "AVAACINZEOAHHE-VFZPANTDSA-N" . "InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccccc1)Cc1cccs1" . "C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1cccs1)C(=O)[O-])C[n+]1ccccc1" . "CZTQZXZIADLWOZ-CRAIPNDOSA-N" . "InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1" . "C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)O)S[C@H]1CCN(C1)C(=N)C)O" . "C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]1CCN(C1)C(=N)C)O" . "TYMABNNERDVXID-DLYFRVTGSA-N" . "InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1" . "O=C(NS(=O)(=O)c1ccn(n1)C(C)C)Nc1c2CCCc2cc2c1CCC2" . "CC(C)n1ccc(n1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2" . "MTOUOUSKXWSTAX-UHFFFAOYSA-N" . "InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)" . "CN1CCC(CC1)n1c(C)nc2c1c1cc(ccc1nc2)c1cc(Cl)c(c(c1)Cl)O" . "Oc1c(Cl)cc(c2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)cc1Cl" . "JEESDVDVWGRNFE-UHFFFAOYSA-N" . "InChI=1S/C23H22Cl2N4O/c1-13-27-21-12-26-20-4-3-14(15-10-18(24)23(30)19(25)11-15)9-17(20)22(21)29(13)16-5-7-28(2)8-6-16/h3-4,9-12,16,30H,5-8H2,1-2H3" . "FCOc1ccccc1c1ccc(cc1)S(=O)(=N)C" . "N=S(=O)(c1ccc(c2ccccc2OCF)cc1)C" . "VCSBOASGFYJGGT-UHFFFAOYSA-N" . "InChI=1S/C14H14FNO2S/c1-19(16,17)12-8-6-11(7-9-12)13-4-2-3-5-14(13)18-10-15/h2-9,16H,10H2,1H3" . "O=C1N(C)c2cnc(nc2N(C1c1ccccc1C)C)Nc1ccc(cc1)S(=O)(=O)N" . "CN1c2cnc(Nc3ccc(S(=O)(=O)N)cc3)nc2N(C)C(c2ccccc2C)C1=O" . "FWEIAKDAIDQPRK-UHFFFAOYSA-N" . "InChI=1S/C21H22N6O3S/c1-13-6-4-5-7-16(13)18-20(28)26(2)17-12-23-21(25-19(17)27(18)3)24-14-8-10-15(11-9-14)31(22,29)30/h4-12,18H,1-3H3,(H2,22,29,30)(H,23,24,25)" . "CN(CC(=O)Nc1ccc2c(c1)c1ccccc1c(=O)[nH]2)C" . "CN(CC(=O)Nc1ccc2c(c1)c1ccccc1c(=O)[nH]2)C" . "UYJZZVDLGDDTCL-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)" . "NCc1cc(nn1[C@@H]1CN([C@H](C1)c1cc2c(n1Cc1ccc(cc1)Cl)ccc(c2)C)C(=O)c1cnc2c(c1)cc([nH]2)C)C" . "Clc1ccc(cc1)Cn1c2ccc(C)cc2cc1[C@@H]1N(C(=O)c2cnc3c(cc(C)[nH]3)c2)C[C@@H](n2nc(C)cc2CN)C1" . "LJMIMBZGIMDSPE-BHDXBOSCSA-N" . "InChI=1S/C34H34ClN7O/c1-20-4-9-30-24(10-20)14-31(40(30)18-23-5-7-27(35)8-6-23)32-15-29(42-28(16-36)12-22(3)39-42)19-41(32)34(43)26-13-25-11-21(2)38-33(25)37-17-26/h4-14,17,29,32H,15-16,18-19,36H2,1-3H3,(H,37,38)/t29-,32+/m0/s1" . "O=C(N[C@@H](c1ccccc1)c1cccc(c1)OCc1cc(nn1C)C(=O)OCCCCNC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)O[C@H]1CN2CCC1CC2" . "O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1" . "YWSIONULMMKTSJ-UZGNFBRWSA-N" . "InChI=1S/C42H48N6O8/c1-47-30(23-34(46-47)41(52)54-21-6-5-18-43-24-36(50)32-12-14-35(49)40-33(32)13-15-38(51)44-40)26-55-31-11-7-10-29(22-31)39(28-8-3-2-4-9-28)45-42(53)56-37-25-48-19-16-27(37)17-20-48/h2-4,7-15,22-23,27,36-37,39,43,49-50H,5-6,16-21,24-26H2,1H3,(H,44,51)(H,45,53)/t36-,37-,39-/m0/s1" . "Cc1cc(ccc1Oc1ccc2c(c1)ncn2C)Nc1ncnc2c1nc(nc2)N1CCNCC1" . "Cc1cc(ccc1Oc1cc2c(n(cn2)C)cc1)Nc1c2c(ncn1)cnc(n2)N1CCNCC1" . "GBSWEJRAVNWKCB-UHFFFAOYSA-N" . "InChI=1S/C25H25N9O/c1-16-11-17(3-6-22(16)35-18-4-5-21-19(12-18)30-15-33(21)2)31-24-23-20(28-14-29-24)13-27-25(32-23)34-9-7-26-8-10-34/h3-6,11-15,26H,7-10H2,1-2H3,(H,28,29,31)" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)O[C@H]1[C@H](O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)[C@@H](N)C[C@H]([C@@H]1O)N" . "C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)N)O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O)O)N" . "NSKGQURZWSPSBC-VVPCINPTSA-N" . "InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)N=C(N)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC" . "C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)N=C(N)N)O)N=C(N)N)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)NC)(CO)O" . "ASXBYYWOLISCLQ-HZYVHMACSA-N" . "InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" . "CNC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N" . "C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H](CC[C@H](O1)CNC)N)N)N)O" . "DNYGXMICFMACRA-XHEDQWPISA-N" . "InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1" . "COc1ncc(c(c1)[C@H](C(=O)N1CC[C@]2(C1)CCc1c(N2)nc(c(c1)c1ncccn1)C)C)F" . "Cc1c(cc2CC[C@@]3(CCN(C3)C(=O)[C@H](C)c3cc(ncc3F)OC)Nc2n1)c1ncccn1" . "PARGFYLSRQUWHR-BZQUYTCOSA-N" . "InChI=1S/C25H27FN6O2/c1-15(18-12-21(34-3)29-13-20(18)26)24(33)32-10-7-25(14-32)6-5-17-11-19(16(2)30-22(17)31-25)23-27-8-4-9-28-23/h4,8-9,11-13,15H,5-7,10,14H2,1-3H3,(H,30,31)/t15-,25+/m1/s1" . "COc1cc(cc2c1C(=O)N(CC2)CC(F)(F)F)c1cnc2n1ccc(c2)OCCN1CCOCC1" . "COc1cc(cc2c1C(=O)N(CC2)CC(F)(F)F)c1cnc2n1ccc(c2)OCCN1CCOCC1" . "XASOHFCUIQARJT-UHFFFAOYSA-N" . "InChI=1S/C25H27F3N4O4/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30/h3,5,12-15H,2,4,6-11,16H2,1H3" . "Oc1ccc(nc1)[C@H](CN1C[C@@H]2[C@H](C1)CC(C2)Oc1ccccc1F)O" . "C1[C@@H]2CN(C[C@@H]2CC1Oc1ccccc1F)C[C@@H](c1ncc(cc1)O)O" . "NEFQLCKWVRZEJA-ZWVKXQFTSA-N" . "InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16?,19-/m0/s1" . "CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c1nc(Nc1cccn(c1=O)c1ccccn1)cc2NC" . "CNc1cc(nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC)Nc1cccn(c1=O)c1ccccn1" . "BWINBHTTZLVXGT-NVXWUHKLSA-N" . "InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1" . "Clc1ccc(c(c1)[C@H](N)C)Cn1c(=S)[nH]c(=O)c2c1cc[nH]2" . "C[C@H](c1c(ccc(c1)Cl)Cn1c2c(c(=O)[nH]c1=S)[nH]cc2)N" . "BHKKSKOHRFHHIN-MRVPVSSYSA-N" . "InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1" . "OCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(n1)n(nc2C(F)(F)F)[C@@H](c1ccc(cc1Cl)Cl)C" . "C[C@H](c1c(cc(cc1)Cl)Cl)n1c2nc(cnc2c(n1)C(F)(F)F)N1CC(C1)[C@H]1CCCN(C1)CCO" . "AKSVALRPYDVQBS-CABCVRRESA-N" . "InChI=1S/C24H27Cl2F3N6O/c1-14(18-5-4-17(25)9-19(18)26)35-23-21(22(32-35)24(27,28)29)30-10-20(31-23)34-12-16(13-34)15-3-2-6-33(11-15)7-8-36/h4-5,9-10,14-16,36H,2-3,6-8,11-13H2,1H3/t14-,15+/m1/s1" . "Fc1ccc(c(c1)F)Oc1ncc(nc1)NC(=O)[C@@H](N1CCC([C@H](C1)c1cc[n+](cc1)[O-])(F)F)C" . "C[C@@H](C(=O)Nc1ncc(nc1)Oc1c(cc(cc1)F)F)N1CCC([C@H](C1)c1cc[n+](cc1)[O-])(F)F" . "UOCITXUZOXOHLH-WMLDXEAASA-N" . "InChI=1S/C23H21F4N5O3/c1-14(31-9-6-23(26,27)17(13-31)15-4-7-32(34)8-5-15)22(33)30-20-11-29-21(12-28-20)35-19-3-2-16(24)10-18(19)25/h2-5,7-8,10-12,14,17H,6,9,13H2,1H3,(H,28,30,33)/t14-,17+/m0/s1" . "CC(OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)C" . "CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1c(cc(cc1)S(=O)(=O)C)F" . "XTRUQJBVQBUKSQ-UHFFFAOYSA-N" . "InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3" . "CCCCC#Cc1nc(N)c2c(n1)n([C@@H]1OC[C@H]([C@H]1O)O)c(n2)c1cccs1" . "O[C@H]1[C@@H](O)[C@H](n2c3nc(C#CCCCC)nc(N)c3nc2c2cccs2)OC1" . "MUHXGASCCALSAJ-PRIMNGNOSA-N" . "InChI=1S/C19H21N5O3S/c1-2-3-4-5-8-13-21-16(20)14-18(22-13)24(19-15(26)11(25)10-27-19)17(23-14)12-7-6-9-28-12/h6-7,9,11,15,19,25-26H,2-4,10H2,1H3,(H2,20,21,22)/t11-,15-,19-/m1/s1" . "OC(=O)[C@H]1N=C(SC1(C)C)Nc1ccccc1O" . "CC1([C@H](N=C(S1)Nc1ccccc1O)C(=O)O)C" . "OASISJWJIHWVKX-SECBINFHSA-N" . "InChI=1S/C12H14N2O3S/c1-12(2)9(10(16)17)14-11(18-12)13-7-5-3-4-6-8(7)15/h3-6,9,15H,1-2H3,(H,13,14)(H,16,17)/t9-/m1/s1" . "OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)n2nnc(c2)c2cccc(c2)F)O)[C@@H]([C@H]([C@H]1O)n1nnc(c1)c1cccc(c1)F)O" . "c1cc(cc(c1)F)c1cn(nn1)[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)n1cc(nn1)c1cc(ccc1)F)O)CO)O" . "YGIDGBAHDZEYMT-MQFIMZJJSA-N" . "InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCN1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl" . "O=C1C(CCC(=O)N1)N1C(=O)c2c(C1=O)cccc2NCC(=O)NCCOCCOCCN1CCN(CC1)c1ccc(cc1)Nc1nc(Nc2c(cccc2)S(=O)(=O)C(C)C)c(cn1)Cl" . "YNGWQHGVASHCBK-UHFFFAOYSA-N" . "InChI=1S/C44H51ClN10O9S/c1-28(2)65(61,62)36-9-4-3-7-33(36)50-40-32(45)26-48-44(52-40)49-29-10-12-30(13-11-29)54-19-17-53(18-20-54)21-23-64-25-24-63-22-16-46-38(57)27-47-34-8-5-6-31-39(34)43(60)55(42(31)59)35-14-15-37(56)51-41(35)58/h3-13,26,28,35,47H,14-25,27H2,1-2H3,(H,46,57)(H,51,56,58)(H2,48,49,50,52)" . "O[C@H]1C[C@@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)CN(c1nc(NCCc2cccs2)nc(n1)N1CCCN(CC1)C(=O)C)C)C(=O)NCc1ccc(cc1)c1scnc1C" . "CN(CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)c1c(C)ncs1)C(C)(C)C)c1nc(NCCc2cccs2)nc(n1)N1CCCN(CC1)C(=O)C" . "IXTMPMLKABNFTQ-LLIFGLRNSA-N" . "InChI=1S/C49H70N12O9S2/c1-33-42(72-32-53-33)36-12-10-35(11-13-36)28-52-44(66)39-27-37(63)29-61(39)45(67)43(49(3,4)5)54-41(65)31-70-25-24-69-23-22-68-21-16-50-40(64)30-58(6)47-55-46(51-15-14-38-9-7-26-71-38)56-48(57-47)60-18-8-17-59(19-20-60)34(2)62/h7,9-13,26,32,37,39,43,63H,8,14-25,27-31H2,1-6H3,(H,50,64)(H,52,66)(H,54,65)(H,51,55,56,57)/t37-,39+,43+/m0/s1" . "OC(=O)/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)c1ccc(cc1C(F)(F)C)F" . "FC(C)(F)c1c(ccc(c1)F)c1c(c2c(s1)cc(cc2)O)Oc1ccc(cc1)/C=C/C(=O)O" . "SJXNPGGVGZXKKI-NYYWCZLTSA-N" . "InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+" . "O[C@@H](COc1ccc(c(c1)OCCCc1ccccc1)OCc1ccccc1)CNCCOCCOCCOc1ccc(cc1)c1c(nn2c1nc(cc2C(F)(F)F)C(F)(F)F)c1ccccc1" . "O[C@H](CNCCOCCOCCOc1ccc(cc1)c1c2nc(cc(n2nc1c1ccccc1)C(F)(F)F)C(F)(F)F)COc1cc(OCCCc2ccccc2)c(OCc2ccccc2)cc1" . "RFLBGKJLIDOOAA-RRHRGVEJSA-N" . "InChI=1S/C51H50F6N4O7/c52-50(53,54)45-32-46(51(55,56)57)61-49(59-45)47(48(60-61)39-16-8-3-9-17-39)38-18-20-41(21-19-38)65-30-29-64-28-27-63-26-24-58-33-40(62)35-67-42-22-23-43(68-34-37-13-6-2-7-14-37)44(31-42)66-25-10-15-36-11-4-1-5-12-36/h1-9,11-14,16-23,31-32,40,58,62H,10,15,24-30,33-35H2/t40-/m1/s1" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC1CCCCC1)[C@@H](c1n2c(C)nn1)CC)C(=O)NC1CCN(CC1)C" . "CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2n2c(C)nnc12" . "QUMCIHKVKQYNPA-RUZDIDTESA-N" . "InChI=1S/C31H43N9O2/c1-5-25-29-37-36-20(2)40(29)26-18-32-31(35-28(26)39(25)19-21-9-7-6-8-10-21)34-24-12-11-22(17-27(24)42-4)30(41)33-23-13-15-38(3)16-14-23/h11-12,17-18,21,23,25H,5-10,13-16,19H2,1-4H3,(H,33,41)(H,32,34,35)/t25-/m1/s1" . "OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2O)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O" . "C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)N" . "SBUJHOSQTJFQJX-NOAMYHISSA-N" . "InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1" . "NC(=O)N" . "NC(=O)N" . "XSQUKJJJFZCRTK-UHFFFAOYSA-N" . "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC1CCCCC1)[C@@H](c1n2c(C)nn1)CC)C(=O)NC1CCN(CC1)C(=O)COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "C1(CCCCC1)CN1[C@@H](c2n(c3cnc(nc13)Nc1c(cc(C(=O)NC3CCN(CC3)C(=O)COc3c4C(=O)N(C(=O)c4ccc3)C3C(=O)NC(=O)CC3)cc1)OC)c(nn2)C)CC" . "AORZPRLVKUMTOJ-XGDNGBMYSA-N" . "InChI=1S/C45H51N11O8/c1-4-31-40-52-51-25(2)55(40)33-22-46-45(50-39(33)54(31)23-26-9-6-5-7-10-26)48-30-14-13-27(21-35(30)63-3)41(59)47-28-17-19-53(20-18-28)37(58)24-64-34-12-8-11-29-38(34)44(62)56(43(29)61)32-15-16-36(57)49-42(32)60/h8,11-14,21-22,26,28,31-32H,4-7,9-10,15-20,23-24H2,1-3H3,(H,47,59)(H,46,48,50)(H,49,57,60)/t31-,32?/m1/s1" . "COc1ccc2c(c1)C(=N[C@H](c1n2c(C)nn1)[C@H](C(=O)NCCCCCNC(=O)COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)c1ccc(cc1)Cl" . "Clc1ccc(C2=N[C@H](c3nnc(n3c3c2cc(cc3)OC)C)[C@H](C(=O)NCCCCCNC(=O)COc2c3c(C(=O)N(C3=O)C3C(=O)NC(=O)CC3)ccc2)C)cc1" . "QTDHGBJLMBQHOW-BPJPHOPQSA-N" . "InChI=1S/C41H41ClN8O8/c1-22(35-37-48-47-23(2)49(37)29-15-14-26(57-3)20-28(29)36(46-35)24-10-12-25(42)13-11-24)38(53)44-19-6-4-5-18-43-33(52)21-58-31-9-7-8-27-34(31)41(56)50(40(27)55)30-16-17-32(51)45-39(30)54/h7-15,20,22,30,35H,4-6,16-19,21H2,1-3H3,(H,43,52)(H,44,53)(H,45,51,54)/t22-,30?,35+/m1/s1" . "NCCOc1ccc(cc1C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])Cl" . "NCCOc1c(cc(Cl)cc1)C(=O)Nc1c(Cl)cc(cc1)[N+](=O)[O-]" . "DIMJVBOEXNWPOG-UHFFFAOYSA-N" . "InChI=1S/C15H13Cl2N3O4/c16-9-1-4-14(24-6-5-18)11(7-9)15(21)19-13-3-2-10(20(22)23)8-12(13)17/h1-4,7-8H,5-6,18H2,(H,19,21)" . "C=CCNc1sc2c(n1)[C@]13CO[C@@]([C@H]([C@@H]1C(C2)(C)C)O)([C@@]12[C@H]3CC[C@H]([C@H]2O)C(=C)C1=O)O" . "[C@@H]12CC[C@@H]3[C@@H](O)[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@@]32c2c(CC(C)(C)[C@H]3[C@@H]1O)sc(NCC=C)n2" . "UAOUIVVJBYDFKD-XKCDOFEDSA-N" . "InChI=1S/C24H30N2O5S/c1-5-8-25-20-26-16-13(32-20)9-21(3,4)15-19(29)24(30)23-14(22(15,16)10-31-24)7-6-12(18(23)28)11(2)17(23)27/h5,12,14-15,18-19,28-30H,1-2,6-10H2,3-4H3,(H,25,26)/t12-,14-,15+,18+,19-,22-,23-,24-/m0/s1" . "CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCN(CC1)C(=O)CCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)C1CCOCC1" . "Cc1c(c(=O)[nH]c(c1)C)CNC(=O)c1cc(cc(c1C)N(C1CCOCC1)CC)c1ccc(cc1)CN1CCN(CC1)C(=O)CCCCCCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCc1ccc(cc1)c1c(ncs1)C)C(C)(C)C" . "AOIZISCRIVNZJJ-XWJFFXCMSA-N" . "InChI=1S/C65H87N9O8S/c1-9-73(51-25-31-82-32-26-51)55-35-50(34-53(44(55)4)61(78)67-38-54-42(2)33-43(3)69-62(54)79)48-21-19-47(20-22-48)39-71-27-29-72(30-28-71)58(77)16-14-12-10-11-13-15-57(76)70-60(65(6,7)8)64(81)74-40-52(75)36-56(74)63(80)66-37-46-17-23-49(24-18-46)59-45(5)68-41-83-59/h17-24,33-35,41,51-52,56,60,75H,9-16,25-32,36-40H2,1-8H3,(H,66,80)(H,67,78)(H,69,79)(H,70,76)/t52-,56+,60-/m1/s1" . "CCOc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)CCCC(=O)O)c1ccc(cc1)I)Cl" . "CCOc1cc2nc(c(cc2cc1)C1CC(=NN1C(=O)CCCC(=O)O)c1ccc(cc1)I)Cl" . "QHNTZIUSUGGSNE-UHFFFAOYSA-N" . "InChI=1S/C25H23ClIN3O4/c1-2-34-18-11-8-16-12-19(25(26)28-20(16)13-18)22-14-21(15-6-9-17(27)10-7-15)29-30(22)23(31)4-3-5-24(32)33/h6-13,22H,2-5,14H2,1H3,(H,32,33)" . "C[C@@H](N1C(=O)CCC1=O)C(=O)NCc1ccccc1" . "O=C(NCc1ccccc1)[C@@H](C)N1C(=O)CCC1=O" . "XVSYJYYNUSOPAQ-SNVBAGLBSA-N" . "InChI=1S/C14H16N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)/t10-/m1/s1" . "FC(OCC[C@H](c1ccc(c[n+]1[O-])c1c(F)c(Cl)ccc1n1nnc(c1)Cl)n1ncc(c1)c1cnnn1C)F" . "Clc1c(c(c(cc1)n1nnc(c1)Cl)c1ccc([n+](c1)[O-])[C@@H](CCOC(F)F)n1ncc(c1)c1cnnn1C)F" . "BETDGMHNHGHORO-MRXNPFEDSA-N" . "InChI=1S/C23H18Cl2F3N9O2/c1-34-19(9-29-32-34)14-8-30-35(10-14)16(6-7-39-23(27)28)17-4-2-13(11-37(17)38)21-18(5-3-15(24)22(21)26)36-12-20(25)31-33-36/h2-5,8-12,16,23H,6-7H2,1H3/t16-/m1/s1" . "O=C(c1ccc(c(c1)C#Cc1cnc2n1nccc2)C)Nc1cc(cc(c1)C(F)(F)F)n1ccnc1" . "Cc1c(C#Cc2cnc3cccnn23)cc(C(=O)Nc2cc(C(F)(F)F)cc(n3cncc3)c2)cc1" . "VGOALPIDEXVYQI-UHFFFAOYSA-N" . "InChI=1S/C26H17F3N6O/c1-17-4-5-19(11-18(17)6-7-22-15-31-24-3-2-8-32-35(22)24)25(36)33-21-12-20(26(27,28)29)13-23(14-21)34-10-9-30-16-34/h2-5,8-16H,1H3,(H,33,36)" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1Cl)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)OC)O" . "Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1c(c2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)OC)O)Cl)O" . "LNDDBMXOCFEELJ-CPPKFOPJSA-N" . "InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)30(46-31(2,3)26(25)42-5)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26-,30-/m1/s1" . "CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](OC1(C)C)Oc1ccc2c(c1Cl)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)OC)O" . "Cc1ccc([nH]1)C(=O)O[C@@H]1[C@@H]([C@H](C(O[C@H]1Oc1c(c2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)OC)O)Cl)(C)C)OC)O" . "AKYRQFMQZJFLAE-AUHTVUCRSA-N" . "InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)26(42-5)31(2,3)46-30(25)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26+,30+/m0/s1" . "NC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)O)N)NC(=O)[C@H](CN)O)O" . "UDIIBEDMEYAVNG-ZKFPOVNWSA-N" . "InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1" . "NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)N)N" . "C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)N)N)N" . "JJCQSGDBDPYCEO-XVZSLQNASA-N" . "InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1Cl)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O" . "Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1c(c2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O)Cl)O" . "FJAQNRBDVKIIKK-LFLQOBSNSA-N" . "InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O" . "Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1cc2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O)O" . "GMMYCBAAMDJSHV-YQQRZDPSSA-N" . "InChI=1S/C35H38N2O11/c1-17(2)7-9-19-15-20(10-14-24(19)38)31(41)37-26-27(39)22-12-11-21(16-25(22)46-33(26)43)45-34-28(40)29(30(44-6)35(4,5)48-34)47-32(42)23-13-8-18(3)36-23/h7-8,10-16,28-30,34,36,38-40H,9H2,1-6H3,(H,37,41)/t28-,29+,30-,34-/m1/s1" . "COc1cccc(c1Br)C(=O)N1CCN2[C@@H](C1)CC[C@@H](C2)c1ccc(cc1)Cl" . "[C@H]12CC[C@@H](CN1CCN(C2)C(=O)c1c(Br)c(OC)ccc1)c1ccc(Cl)cc1" . "BKTASVDLNMGMFP-FUHWJXTLSA-N" . "InChI=1S/C22H24BrClN2O2/c1-28-20-4-2-3-19(21(20)23)22(27)26-12-11-25-13-16(7-10-18(25)14-26)15-5-8-17(24)9-6-15/h2-6,8-9,16,18H,7,10-14H2,1H3/t16-,18+/m0/s1" . "CN(CCn1ncc(c1)n1nc(cc1NC(=O)N[C@H]1CC[C@H](c2c1cccc2)Oc1ccc2n(c1)c(nn2)N1CCCC[C@@H]1C)C(C)(C)C)C" . "O=C(Nc1cc(C(C)(C)C)nn1c1cn(CCN(C)C)nc1)N[C@H]1CC[C@@H](Oc2ccc3n(c2)c(nn3)N2[C@@H](C)CCCC2)c2c1cccc2" . "PPZSTJQLZOPKBO-LGXAAPQCSA-N" . "InChI=1S/C37H49N11O2/c1-25-11-9-10-18-46(25)36-42-41-33-17-14-27(24-47(33)36)50-31-16-15-30(28-12-7-8-13-29(28)31)39-35(49)40-34-21-32(37(2,3)4)43-48(34)26-22-38-45(23-26)20-19-44(5)6/h7-8,12-14,17,21-25,30-31H,9-11,15-16,18-20H2,1-6H3,(H2,39,40,49)/t25-,30-,31+/m0/s1" . "CNC(=O)c1ccc(cn1)c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1c2cccc1" . "N(C)C(=O)c1ccc(cn1)c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1c2cccc1" . "BDQCDIWFPIDPQU-NDEPHWFRSA-N" . "InChI=1S/C28H25N3O4/c1-29-24(32)23-11-8-19(16-30-23)18-6-9-20(10-7-18)27(12-13-27)26(34)31-15-14-28(17-31)22-5-3-2-4-21(22)25(33)35-28/h2-11,16H,12-15,17H2,1H3,(H,29,32)/t28-/m0/s1" . "O=C(C1CC(=O)N(C1)Cc1ccco1)Nc1ccc(cc1)c1onc(n1)c1ccc(cc1)Cl" . "O=C1CC(C(=O)Nc2ccc(c3nc(c4ccc(Cl)cc4)no3)cc2)CN1Cc1ccco1" . "LTOAWFRZXVPHAJ-UHFFFAOYSA-N" . "InChI=1S/C24H19ClN4O4/c25-18-7-3-15(4-8-18)22-27-24(33-28-22)16-5-9-19(10-6-16)26-23(31)17-12-21(30)29(13-17)14-20-2-1-11-32-20/h1-11,17H,12-14H2,(H,26,31)" . "OC[C@H]1[C@@H](C)OC(=O)N1c1nc(nc(c1)c1cnc(nc1C(F)(F)F)N)N1CCOCC1" . "Nc1ncc(c(n1)C(F)(F)F)c1nc(N2CCOCC2)nc(N2[C@@H](CO)[C@@H](C)OC2=O)c1" . "IEYOHYVYEJVEJJ-SKDRFNHKSA-N" . "InChI=1S/C18H20F3N7O4/c1-9-12(8-29)28(17(30)32-9)13-6-11(24-16(25-13)27-2-4-31-5-3-27)10-7-23-15(22)26-14(10)18(19,20)21/h6-7,9,12,29H,2-5,8H2,1H3,(H2,22,23,26)/t9-,12+/m1/s1" . "Fc1ccc(cc1)c1noc(c1COc1ccc2c(n1)CCN(C2)C(=O)CS(=O)(=O)C)C" . "Cc1c(COc2nc3c(CN(CC3)C(=O)CS(=O)(=O)C)cc2)c(no1)c1ccc(F)cc1" . "GTVLCHCOKLXHLY-UHFFFAOYSA-N" . "InChI=1S/C22H22FN3O5S/c1-14-18(22(25-31-14)15-3-6-17(23)7-4-15)12-30-20-8-5-16-11-26(10-9-19(16)24-20)21(27)13-32(2,28)29/h3-8H,9-13H2,1-2H3" . "O[C@H]1C[C@@H](C[C@H]1COS(=O)(=O)N)n1ccc2c1ncnc2N[C@H]1CCc2c1cccc2" . "C1Cc2ccccc2[C@H]1Nc1c2ccn(c2ncn1)[C@@H]1C[C@H]([C@H](C1)O)COS(=O)(=O)N" . "MPUQHZXIXSTTDU-QXGSTGNESA-N" . "InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1" . "N#Cc1c(OC2CC2)cc(c(c1c1n(C)ncc1c1ccc2c(c1)c(CN)n[nH]c2=O)F)Cl" . "NCc1c2c(ccc(c3c(c4c(C#N)c(OC5CC5)cc(Cl)c4F)n(C)nc3)c2)c(=O)[nH]n1" . "BZKIOORWZAXIBA-UHFFFAOYSA-N" . "InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)" . "COCCN(CC(=O)O)CCOCCOCCOCCOCCOCCOCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(c(c1)C(F)(F)F)Cl)CCC(C2)(C)C" . "O=C(c1cccc(COCCOCCOCCOCCOCCOCCN(CC(=O)O)CCOC)c1)Nc1c(C(=O)N/N=C/c2cc(C(F)(F)F)c(Cl)cc2)c2CCC(C)(C)Cc2s1" . "KDDSSBXRLQRJDR-GBIUOOPFSA-N" . "InChI=1S/C44H58ClF3N4O11S/c1-43(2)10-9-34-37(27-43)64-42(39(34)41(56)51-49-28-31-7-8-36(45)35(26-31)44(46,47)48)50-40(55)33-6-4-5-32(25-33)30-63-24-23-62-22-21-61-20-19-60-18-17-59-16-15-58-14-12-52(11-13-57-3)29-38(53)54/h4-8,25-26,28H,9-24,27,29-30H2,1-3H3,(H,50,55)(H,51,56)(H,53,54)/b49-28+" . "OCC1(CCC1)Nc1nc(nc2c1S(=O)CC2)N1CCC(CC1)c1ncc(cn1)Cl" . "OCC1(CCC1)Nc1nc(nc2c1S(=O)CC2)N1CCC(CC1)c1ncc(Cl)cn1" . "UHYCLWAANUGUMN-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)" . "Clc1ccc(c(c1)C(=O)N)S(=O)(=O)N[C@@H]([C@@H](c1c(F)ccc(c1C)C)C)c1n[nH]c(=O)o1" . "C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)N)c1n[nH]c(=O)o1)c1c(C)c(C)ccc1F" . "DUYRWEBTZNUILI-DIFFPNOSSA-N" . "InChI=1S/C20H20ClFN4O5S/c1-9-4-6-14(22)16(10(9)2)11(3)17(19-24-25-20(28)31-19)26-32(29,30)15-7-5-12(21)8-13(15)18(23)27/h4-8,11,17,26H,1-3H3,(H2,23,27)(H,25,28)/t11-,17+/m1/s1" . "CC(NC[C@@H](C(=O)N1CCN([C@@H]2[C@H]1C2)c1ncnc2c1[C@H](C)CC(=O)N2)c1ccc(cc1)Cl)C" . "O=C(N1[C@H]2[C@H](C2)N(c2c3c(NC(=O)C[C@H]3C)ncn2)CC1)[C@H](CNC(C)C)c1ccc(Cl)cc1" . "RXNPEQZHMGFNAY-GEALJGNFSA-N" . "InChI=1S/C25H31ClN6O2/c1-14(2)27-12-18(16-4-6-17(26)7-5-16)25(34)32-9-8-31(19-11-20(19)32)24-22-15(3)10-21(33)30-23(22)28-13-29-24/h4-7,13-15,18-20,27H,8-12H2,1-3H3,(H,28,29,30,33)/t15-,18-,19+,20-/m1/s1" . "COCCO[C@@H]1CC[C@H](CC1)NC(=O)c1cc(nc2c1cc[nH]2)c1scnc1" . "O=C(c1c2c([nH]cc2)nc(c2cncs2)c1)N[C@H]1CC[C@H](OCCOC)CC1" . "JUVJFMVGYBBDKN-HDJSIYSDSA-N" . "InChI=1S/C20H24N4O3S/c1-26-8-9-27-14-4-2-13(3-5-14)23-20(25)16-10-17(18-11-21-12-28-18)24-19-15(16)6-7-22-19/h6-7,10-14H,2-5,8-9H2,1H3,(H,22,24)(H,23,25)/t13-,14-" . "O=C(c1cc(ccc1O[C@@H](C(F)(F)F)C)S(=O)(=O)C)N1C[C@H]2[C@@](C1)(C2)c1noc(c1)C(F)(F)F" . "C[C@H](C(F)(F)F)Oc1c(cc(cc1)S(=O)(=O)C)C(=O)N1C[C@@H]2C[C@@]2(C1)c1noc(c1)C(F)(F)F" . "MYHDQTVHHMSLEF-DDBGAENHSA-N" . "InChI=1S/C20H18F6N2O5S/c1-10(19(21,22)23)32-14-4-3-12(34(2,30)31)5-13(14)17(29)28-8-11-7-18(11,9-28)15-6-16(33-27-15)20(24,25)26/h3-6,10-11H,7-9H2,1-2H3/t10-,11+,18+/m1/s1" . "O=C(N(c1cccc(c1)c1ccc(cc1)C(O)(C)C)CC12CCC(CC1)(CC2)c1noc(n1)C(F)(C)C)[C@@H]1C[C@@](C1)(O)C(F)(F)F" . "CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)c3ccc(cc3)C(C)(C)O)(CC1)CC2" . "AEMZJBZKICOPPC-RNMMDBENSA-N" . "InChI=1S/C35H41F4N3O4/c1-30(2,36)29-40-28(41-46-29)33-15-12-32(13-16-33,14-17-33)21-42(27(43)24-19-34(45,20-24)35(37,38)39)26-7-5-6-23(18-26)22-8-10-25(11-9-22)31(3,4)44/h5-11,18,24,44-45H,12-17,19-21H2,1-4H3/t24-,32?,33?,34+" . "COCCN(CC[C@@H](C(=O)O)Nc1ncnc2c1cccc2)CCCCc1ccc2c(n1)NCCC2" . "COCCN(CCCCc1nc2c(CCCN2)cc1)CC[C@@H](C(=O)O)Nc1ncnc2ccccc12" . "CWOFQJBATWQSHL-DEOSSOPVSA-N" . "InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1" . "C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)NCCS(=O)(=O)N1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C)C(C)C" . "O=C(NCCS(=O)(=O)N1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(C(C)(C)C)o1)CO[C@H]1[C@H](C(C)C)CC[C@@H](C)C1" . "NPRIWHDFWDSJRZ-YFNKSVMNSA-N" . "InChI=1S/C31H49N5O6S3/c1-20(2)23-8-7-21(3)15-24(23)41-18-26(37)32-11-14-45(39,40)36-12-9-22(10-13-36)29(38)35-30-34-17-28(44-30)43-19-27-33-16-25(42-27)31(4,5)6/h16-17,20-24H,7-15,18-19H2,1-6H3,(H,32,37)(H,34,35,38)/t21-,23+,24-/m1/s1" . "COc1cccc(c1)c1cc(F)c(c(c1)F)Nc1ncccc1C(=O)O" . "COc1cccc(c1)c1cc(c(c(c1)F)Nc1c(cccn1)C(=O)O)F" . "OMPATGZMNFWVOH-UHFFFAOYSA-N" . "InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)" . "OCc1nn(c(=O)n1CC)c1nc(O[C@H](C(F)(F)F)C)c(cc1F)C(=O)Nc1c(C)ccnc1Cl" . "CCn1c(=O)n(nc1CO)c1nc(O[C@@H](C)C(F)(F)F)c(cc1F)C(=O)Nc1c(C)ccnc1Cl" . "XEDJGCIOZDHXOR-JTQLQIEISA-N" . "InChI=1S/C20H19ClF4N6O4/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-11(18(28-16)35-10(3)20(23,24)25)17(33)27-14-9(2)5-6-26-15(14)21/h5-7,10,32H,4,8H2,1-3H3,(H,27,33)/t10-/m0/s1" . "O=C(N1CC(C1)(C)F)Cn1cnc2c(c1=O)c(cn2C1CC1)c1ccc(c(c1)Cl)F" . "CC1(CN(C1)C(=O)Cn1cnc2c(c1=O)c(cn2C1CC1)c1cc(c(cc1)F)Cl)F" . "NULHGWQIRTXKAY-UHFFFAOYSA-N" . "InChI=1S/C21H19ClF2N4O2/c1-21(24)9-27(10-21)17(29)8-26-11-25-19-18(20(26)30)14(7-28(19)13-3-4-13)12-2-5-16(23)15(22)6-12/h2,5-7,11,13H,3-4,8-10H2,1H3" . "C=CC(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1nnn(c1)CC(c1ccccc1)(F)F" . "Nc1c2c(ncn1)n(nc2c1nnn(c1)CC(c1ccccc1)(F)F)[C@H]1CN(CCC1)C(=O)C=C" . "DGJMHKMYSDYOFP-MRXNPFEDSA-N" . "InChI=1S/C23H23F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h2-5,7-8,12,14,16H,1,6,9-11,13H2,(H2,26,27,28)/t16-/m1/s1" . "OC[C@@H]([C@H](Oc1cc(nc(n1)SCc1ccc(cc1)F)NS(=O)(=O)N1CC(C1)C)C)O" . "CC1CN(C1)S(=O)(=O)Nc1cc(nc(n1)SCc1ccc(cc1)F)O[C@H](C)[C@H](CO)O" . "UCCNQCNIPRKLRP-CJNGLKHVSA-N" . "InChI=1S/C19H25FN4O5S2/c1-12-8-24(9-12)31(27,28)23-17-7-18(29-13(2)16(26)10-25)22-19(21-17)30-11-14-3-5-15(20)6-4-14/h3-7,12-13,16,25-26H,8-11H2,1-2H3,(H,21,22,23)/t13-,16+/m1/s1" . "CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)n(CCC)cc2C)S(=O)(=O)N1CCN(CC1)CC" . "C(C)Oc1c(cc(cc1)S(=O)(=O)N1CCN(CC1)CC)c1[nH]c(=O)c2c(n1)n(cc2C)CCC" . "RXMDFMQMRASWOG-UHFFFAOYSA-N" . "InChI=1S/C24H33N5O4S/c1-5-10-28-16-17(4)21-23(28)25-22(26-24(21)30)19-15-18(8-9-20(19)33-7-3)34(31,32)29-13-11-27(6-2)12-14-29/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,25,26,30)" . "CC(Cc1ccc(cc1)c1onc(n1)c1ccc(c(c1)F)CN1CC(C1)C(=O)O)C" . "Fc1c(ccc(c1)c1noc(n1)c1ccc(cc1)CC(C)C)CN1CC(C1)C(=O)O" . "YBIFMTGYWXNIRZ-UHFFFAOYSA-N" . "InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,28,29)" . "Nc1cc2ccccc2nc1C(O)(C)C" . "Nc1c(nc2ccccc2c1)C(C)(C)O" . "NOFRQDXKZDAYGB-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O/c1-12(2,15)11-9(13)7-8-5-3-4-6-10(8)14-11/h3-7,15H,13H2,1-2H3" . "FCCCS(=O)(=O)Nc1ccc(c(c1Cl)Nc1ccc2c(c1C)c(=O)n(cn2)C)F" . "Clc1c(ccc(c1Nc1c(c2c(=O)n(cnc2cc1)C)C)F)NS(=O)(=O)CCCF" . "VVLVISDSGRHLMB-UHFFFAOYSA-N" . "InChI=1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3" . "OC[C@H](Nc1cc(cc(n1)N1CCOCC1)c1cc(ccc1C)NC(=O)N1CC[C@H](C1)CC(F)(F)F)C" . "Cc1c(cc(cc1)NC(=O)N1CC[C@H](C1)CC(F)(F)F)c1cc(nc(c1)N1CCOCC1)N[C@H](C)CO" . "GZMYLSJUNSCMTD-MOPGFXCFSA-N" . "InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1" . "N#Cc1cnc2c(c1NCC(C)(C)C)cc(cc2Cl)N[C@@H](c1cccc2c1ccn(c2=O)C)c1nnn(c1)C12CC(C1)C2" . "CC(C)(C)CNc1c2cc(cc(c2ncc1C#N)Cl)N[C@@H](c1cccc2c1ccn(c2=O)C)c1cn(nn1)C12CC(C1)C2" . "VFGSKBLZRDRHOI-ZAGPDIDGSA-N" . "InChI=1S/C33H33ClN8O/c1-32(2,3)18-37-28-20(15-35)16-36-29-25(28)10-21(11-26(29)34)38-30(27-17-42(40-39-27)33-12-19(13-33)14-33)23-6-5-7-24-22(23)8-9-41(4)31(24)43/h5-11,16-17,19,30,38H,12-14,18H2,1-4H3,(H,36,37)/t19?,30-,33?/m0/s1" . "CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "Fc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)Oc1ccnc2cc(c(cc12)C(=O)NC)OC" . "JSPCKALGNNVYOO-UHFFFAOYSA-N" . "InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)" . "CC(=O)Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "Clc1c(c(ccc1F)Cl)[C@@H](C)Oc1c(ncc(c1)c1cnn(c1)C1CCNCC1)NC(=O)C" . "HBWSXXBJOQKNBL-CYBMUJFWSA-N" . "InChI=1S/C23H24Cl2FN5O2/c1-13(21-18(24)3-4-19(26)22(21)25)33-20-9-15(10-28-23(20)30-14(2)32)16-11-29-31(12-16)17-5-7-27-8-6-17/h3-4,9-13,17,27H,5-8H2,1-2H3,(H,28,30,32)/t13-/m1/s1" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(nc1)NC(=O)c1cc2C(=O)CCCc2n(c1=O)c1ccccc1" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(nc1)NC(=O)c1c(=O)n(c2CCCC(=O)c2c1)c1ccccc1" . "WHMMKPWGWNYYFE-UHFFFAOYSA-N" . "InChI=1S/C32H26N4O6/c1-40-28-16-21-24(17-29(28)41-2)33-14-13-27(21)42-20-11-12-30(34-18-20)35-31(38)23-15-22-25(9-6-10-26(22)37)36(32(23)39)19-7-4-3-5-8-19/h3-5,7-8,11-18H,6,9-10H2,1-2H3,(H,34,35,38)" . "N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1ccccn1)cc(c(c2)O[C@H]1CCOC1)NC(=O)/C=C/CN(C)C" . "[C@@H]1(CCOC1)Oc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C" . "ZGYIXVSQHOKQRZ-COIATFDQSA-N" . "InChI=1S/C32H31ClN6O4/c1-39(2)12-5-7-31(40)38-28-15-25-27(16-30(28)43-24-10-13-41-20-24)36-18-21(17-34)32(25)37-22-8-9-29(26(33)14-22)42-19-23-6-3-4-11-35-23/h3-9,11,14-16,18,24H,10,12-13,19-20H2,1-2H3,(H,36,37)(H,38,40)/b7-5+/t24-/m0/s1" . "CN1CCN(CC1)c1ccc(cc1)Nc1ncc2c(n1)n(C(C)C)c(n2)Nc1cccnc1" . "CN1CCN(CC1)c1ccc(cc1)Nc1ncc2nc(n(c2n1)C(C)C)Nc1cnccc1" . "WSOHOUHPUOAXIN-UHFFFAOYSA-N" . "InChI=1S/C24H29N9/c1-17(2)33-22-21(29-24(33)28-19-5-4-10-25-15-19)16-26-23(30-22)27-18-6-8-20(9-7-18)32-13-11-31(3)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29)(H,26,27,30)" . "O=C1COc2c(N1C)cnc1c2cc(cc1)Sc1nnc2n1cc(cc2F)c1cnn(c1)C" . "Fc1c2n(cc(c1)c1cnn(c1)C)c(nn2)Sc1cc2c3c(cnc2cc1)N(C(=O)CO3)C" . "MFEXYTURXUZOID-UHFFFAOYSA-N" . "InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3" . "NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1c2nc(c1)N1C(=O)SC[C@H]1C(F)F)C" . "C[C@H](Nc1cc2c(cc1)c1nc(cn1CCO2)N1[C@@H](CSC1=O)C(F)F)C(=O)N" . "KEEKMOIRJUWKNK-CABZTGNLSA-N" . "InChI=1S/C18H19F2N5O3S/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1" . "COCCN1C[C@H]([C@@H](C1)c1cccc(c1)F)NC(=O)Nc1c(C)c(nn1c1ccccc1)c1cnc(nc1)C" . "Fc1cc(ccc1)[C@H]1[C@@H](CN(C1)CCOC)NC(=O)Nc1c(c(nn1c1ccccc1)c1cnc(nc1)C)C" . "BGKSBHPSVMJTFL-IZZNHLLZSA-N" . "InChI=1S/C29H32FN7O2/c1-19-27(22-15-31-20(2)32-16-22)35-37(24-10-5-4-6-11-24)28(19)34-29(38)33-26-18-36(12-13-39-3)17-25(26)21-8-7-9-23(30)14-21/h4-11,14-16,25-26H,12-13,17-18H2,1-3H3,(H2,33,34,38)/t25-,26+/m0/s1" . "COC(=O)c1ccc2c(n1)NC(=O)/C/2=C(/c1ccccc1)/Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C" . "CN(C(=O)CN1CCN(CC1)C)c1ccc(N/C(=C/2/C(=O)Nc3nc(ccc23)C(=O)OC)/c2ccccc2)cc1" . "OABALTWKAJWHEA-RQZHXJHFSA-N" . "InChI=1S/C30H32N6O4/c1-34-15-17-36(18-16-34)19-25(37)35(2)22-11-9-21(10-12-22)31-27(20-7-5-4-6-8-20)26-23-13-14-24(30(39)40-3)32-28(23)33-29(26)38/h4-14,31H,15-19H2,1-3H3,(H,32,33,38)/b27-26-" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC1(C(=O)N2C)CC1)C1CCCC1)C(=O)N[C@@H]1CC[C@H](CC1)N1CCN(CC1)C" . "C1(CCCC1)N1c2c(N(C(=O)C3(C1)CC3)C)cnc(n2)Nc1c(cc(C(=O)N[C@@H]2CC[C@H](CC2)N2CCN(CC2)C)cc1)OC" . "UFNLNMWVOMFWGS-SOAUALDESA-N" . "InChI=1S/C34H48N8O3/c1-39-16-18-41(19-17-39)25-11-9-24(10-12-25)36-31(43)23-8-13-27(29(20-23)45-3)37-33-35-21-28-30(38-33)42(26-6-4-5-7-26)22-34(14-15-34)32(44)40(28)2/h8,13,20-21,24-26H,4-7,9-12,14-19,22H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,25-" . "C[C@]1(O)C[C@@](C1)(N)c1ccc(cc1)c1nc2n(c1c1ccccc1)COc1c2cncc1" . "C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)c1c(n2COc3c(cncc3)c2n1)c1ccccc1" . "AIFGVDXMHWGOGJ-DIVCQZSQSA-N" . "InChI=1S/C26H24N4O2/c1-25(31)14-26(27,15-25)19-9-7-17(8-10-19)22-23(18-5-3-2-4-6-18)30-16-32-21-11-12-28-13-20(21)24(30)29-22/h2-13,31H,14-16,27H2,1H3/t25-,26-" . "COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(c1)[nH]nc3/C=C/c1ccc(cc1)CN1C[C@H](C)O[C@@H](C1)C)C(=O)N2" . "C[C@@H]1CN(C[C@@H](O1)C)Cc1ccc(cc1)/C=C/c1n[nH]c2cc(ccc12)[C@@H]1C[C@]21C(=O)Nc1ccc(cc21)OC" . "DADASRPKWOGKCU-FVTQAUBDSA-N" . "InChI=1S/C33H34N4O3/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36)/b12-8+/t20-,21+,28-,33-/m0/s1" . "COc1ccc(cc1O)c1coc2c(c1=O)c(O)cc(c2)O" . "COc1c(O)cc(cc1)c1coc2c(c(O)cc(O)c2)c1=O" . "FPIOBTBNRZPWJW-UHFFFAOYSA-N" . "InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3" . "Fc1cnc2n(c1)nc(c2C(=O)Nc1cncc(c1c1cncn1C)F)N" . "Nc1nn2c(ncc(c2)F)c1C(=O)Nc1cncc(c1c1cncn1C)F" . "RBQPCTBFIPVIJN-UHFFFAOYSA-N" . "InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)" . "N#Cc1cnc2c(c1NCC(C)(C)C)cc(cc2Cl)N([C@@H](c1cccc2c1ccn(c2=O)C)c1nnn(c1)C12CC(C1)C2)C(=O)OCOP(=O)(O)O" . "C12(CC(C1)C2)n1nnc(c1)[C@@H](N(C(=O)OCOP(=O)(O)O)c1cc2c(c(cnc2c(c1)Cl)C#N)NCC(C)(C)C)c1c2ccn(c(=O)c2ccc1)C" . "FPQIBCPWXJSFOQ-ILNPBIMBSA-N" . "InChI=1S/C35H36ClN8O7P/c1-34(2,3)18-39-29-21(15-37)16-38-30-26(29)10-22(11-27(30)36)44(33(46)50-19-51-52(47,48)49)31(28-17-43(41-40-28)35-12-20(13-35)14-35)24-6-5-7-25-23(24)8-9-42(4)32(25)45/h5-11,16-17,20,31H,12-14,18-19H2,1-4H3,(H,38,39)(H2,47,48,49)/t20?,31-,35?/m0/s1" . "N#C[C@H](Nc1cc(ncc1C(=O)NC[C@H](C(O)(C)C)F)c1ccc2n1ncc(c2)C#N)C" . "C(#N)[C@@H](C)Nc1c(cnc(c1)c1ccc2n1ncc(c2)C#N)C(=O)NC[C@H](C(C)(C)O)F" . "HORBHQPSWJRDSV-ZUOKHONESA-N" . "InChI=1S/C22H22FN7O2/c1-13(8-24)29-17-7-18(19-5-4-15-6-14(9-25)10-28-30(15)19)26-11-16(17)21(31)27-12-20(23)22(2,3)32/h4-7,10-11,13,20,32H,12H2,1-3H3,(H,26,29)(H,27,31)/t13-,20-/m1/s1" . "CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1sc(nc1C)NC1CCCC1)F" . "C1(CCCC1)Nc1sc(c(n1)C)c1nc(ncc1F)Nc1ncc(cc1)CN1CCN(CC1)CC" . "POFVJRKJJBFPII-UHFFFAOYSA-N" . "InChI=1S/C25H33FN8S/c1-3-33-10-12-34(13-11-33)16-18-8-9-21(27-14-18)31-24-28-15-20(26)22(32-24)23-17(2)29-25(35-23)30-19-6-4-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3,(H,29,30)(H,27,28,31,32)" . "CN1CCC(CC1)c1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)N(CCO2)C(C)C)F" . "Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc(c2c(N(CCO2)C(C)C)c1)F" . "YZSCPLGKKMSBMV-UHFFFAOYSA-N" . "InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-19(13-22(25)34)24-21(28)15-30-26(32-24)31-23-5-4-18(14-29-23)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,29,30,31,32)" . "Fc1cnc(nc1c1ccc2c(c1)c(C(C)C)n(n2)C)Nc1ccc(cn1)N1CCNCC1" . "Fc1c(nc(nc1)Nc1ncc(cc1)N1CCNCC1)c1cc2c(n(nc2cc1)C)C(C)C" . "LLFOBMRPWNABCB-UHFFFAOYSA-N" . "InChI=1S/C24H27FN8/c1-15(2)23-18-12-16(4-6-20(18)31-32(23)3)22-19(25)14-28-24(30-22)29-21-7-5-17(13-27-21)33-10-8-26-9-11-33/h4-7,12-15,26H,8-11H2,1-3H3,(H,27,28,29,30)" . "CN1CCC(CC1)c1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)C1(CCCC1)C(=N2)C)F" . "Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc2C3(C(=Nc2c(c1)F)C)CCCC3" . "AEFFENQISAXIKE-UHFFFAOYSA-N" . "InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)" . "CNc1nc(c(s1)c1nc(ncc1F)Nc1cccc(c1)S(=O)(=O)N)C" . "Cc1c(sc(n1)NC)c1nc(ncc1F)Nc1cc(ccc1)S(=O)(=O)N" . "GAIOPWBQKZMUNO-UHFFFAOYSA-N" . "InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)" . "C[C@@H]1COCCN1c1cc(c2c(n1)n(nc2)c1ccn[nH]1)C1(O)C[C@@H]2CC[C@H](C1)O2" . "C[C@@H]1COCCN1c1nc2c(cnn2c2ccn[nH]2)c(c1)C1(C[C@H]2CC[C@@H](C1)O2)O" . "YIHHYCIYAIVQKX-YNOVCBQDSA-N" . "InChI=1S/C21H26N6O3/c1-13-12-29-7-6-26(13)19-8-17(21(28)9-14-2-3-15(10-21)30-14)16-11-23-27(20(16)24-19)18-4-5-22-25-18/h4-5,8,11,13-15,28H,2-3,6-7,9-10,12H2,1H3,(H,22,25)/t13-,14-,15+,21?/m1/s1" . "C[C@@H]1CC=C(C(=C1n1c2nc(C)c(cc2c(c1N)C(=O)N)C)C)O" . "NC(=O)c1c(N)n(C2=C(C)C(=CC[C@H]2C)O)c2nc(C)c(C)cc12" . "FGSLKGDMSYOTPS-MRVPVSSYSA-N" . "InChI=1S/C18H22N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h6-8,23H,5,19H2,1-4H3,(H2,20,24)/t8-/m1/s1" . "OC[C@H](c1cc(Cl)cc(c1)Cl)O[C@H]1CCCN([C@H]1c1ccccc1)Cc1ccc(cc1[N+](=O)[O-])C(=O)O" . "OC[C@H](c1cc(Cl)cc(Cl)c1)O[C@@H]1[C@H](c2ccccc2)N(Cc2c([N+](=O)[O-])cc(C(=O)O)cc2)CCC1" . "REDPQDQMPNUDEP-NXCFDTQHSA-N" . "InChI=1S/C27H26Cl2N2O6/c28-21-11-20(12-22(29)14-21)25(16-32)37-24-7-4-10-30(26(24)17-5-2-1-3-6-17)15-19-9-8-18(27(33)34)13-23(19)31(35)36/h1-3,5-6,8-9,11-14,24-26,32H,4,7,10,15-16H2,(H,33,34)/t24-,25+,26-/m0/s1" . "OC(=O)C1(CCN(CC1)C(=O)c1cccc(c1Cl)Cl)Cc1ccc(c(n1)Nc1n[nH]c(c1)C)F" . "Cc1cc(n[nH]1)Nc1c(ccc(n1)CC1(CCN(CC1)C(=O)c1c(c(ccc1)Cl)Cl)C(=O)O)F" . "PLAVWQHGBMTMFR-UHFFFAOYSA-N" . "InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)" . "Fc1ccc(cc1)Nc1nc(c(c(n1)C)C)N1CCc2c(C1C)cccc2" . "CC1c2ccccc2CCN1c1nc(nc(c1C)C)Nc1ccc(cc1)F" . "LECZXZOBEZITCL-UHFFFAOYSA-N" . "InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCN1CCN(CC1)c1cc(Cl)cc2c1nc(n2Cc1cc(C)c(c(c1)C)F)N1CC2(C1)CNC2)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C" . "O=C(CCCCCCCCN1CCN(c2c3nc(n(c3cc(Cl)c2)Cc2cc(C)c(c(c2)C)F)N2CC3(C2)CNC3)CC1)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1c(ncs1)C)C)O)C(C)(C)C" . "AZBRWXRYNYEDKG-VWELVXIZSA-N" . "InChI=1S/C57H76ClFN10O4S/c1-36-24-40(25-37(2)49(36)59)29-69-46-27-43(58)26-45(50(46)64-55(69)67-33-57(34-67)31-60-32-57)66-22-20-65(21-23-66)19-13-11-9-8-10-12-14-48(71)63-52(56(5,6)7)54(73)68-30-44(70)28-47(68)53(72)62-38(3)41-15-17-42(18-16-41)51-39(4)61-35-74-51/h15-18,24-27,35,38,44,47,52,60,70H,8-14,19-23,28-34H2,1-7H3,(H,62,72)(H,63,71)/t38-,44+,47-,52+/m0/s1" . "N[C@@H]1[C@H](C)OCC21CCN(CC2)c1cnc(c(n1)N)Sc1ccnc(c1Cl)N" . "Nc1nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)cnc1Sc1c(Cl)c(N)ncc1" . "UCJZOKGUEJUNIO-IINYFYTJSA-N" . "InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1" . "OCc1nc(Sc2ccnc(c2Cl)N)c(nc1N1CCC2(CC1)CO[C@H]([C@H]2N)C)C" . "C[C@H]1[C@H](C2(CCN(CC2)c2nc(c(nc2CO)Sc2c(c(ncc2)N)Cl)C)CO1)N" . "HISJAYUQVHMWTA-BLLLJJGKSA-N" . "InChI=1S/C20H27ClN6O2S/c1-11-19(30-14-3-6-24-17(23)15(14)21)26-13(9-28)18(25-11)27-7-4-20(5-8-27)10-29-12(2)16(20)22/h3,6,12,16,28H,4-5,7-10,22H2,1-2H3,(H2,23,24)/t12-,16+/m0/s1" . "C=CC(=O)N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2F)c1ccc(c2c1nc(s2)N)F" . "C=CC(=O)N1CCN(CC1)c1ncnc2c(c(c(cc12)Cl)c1c2c(c(cc1)F)sc(n2)N)F" . "YNBBKDMAVRSYRE-UHFFFAOYSA-N" . "InChI=1S/C22H17ClF2N6OS/c1-2-15(32)30-5-7-31(8-6-30)21-12-9-13(23)16(17(25)18(12)27-10-28-21)11-3-4-14(24)20-19(11)29-22(26)33-20/h2-4,9-10H,1,5-8H2,(H2,26,29)" . "O=C1COc2c(N1)c(O)ccc2C(CNC(Cc1ccccc1C)(C)C)O" . "Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O" . "NWQXBEWHTDRJIP-UHFFFAOYSA-N" . "InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)" . "N#Cc1ccc(c(c1)F)COc1cccc(n1)C1CCN(CC1)Cc1nc2c(n1C[C@@H]1CCO1)cc(cc2)C(=O)O" . "Fc1cc(C#N)ccc1COc1cccc(C2CCN(Cc3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1" . "HYBAKUMPISVZQP-DEOSSOPVSA-N" . "InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1" . "OCCn1c(C)ncc1[N+](=O)[O-]" . "OCCn1c(C)ncc1[N+](=O)[O-]" . "VAOCPAMSLUNLGC-UHFFFAOYSA-N" . "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3" . "COc1cc(OCc2csc(n2)c2ccc(cc2)C(=O)N(C)C)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "COc1nn2cc(nc2s1)c1cc2c(o1)cc(OC)cc2OCc1csc(n1)c1ccc(cc1)C(=O)N(C)C" . "KEEBLYWBELVGPQ-UHFFFAOYSA-N" . "InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3" . "CC[C@@H]([C@@H]1NC(=O)[C@H](CO)NC(=O)CCCOc2ccccc2CCSC[C@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)Cc1nnn[nH]1)C" . "OC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](Cc3nnn[nH]3)C(=O)N)CCC2)CSCCc2ccccc2OCCCC(=O)N1)Cc1c[nH]c2c1cccc2)[C@@H](C)CC" . "CPNJMMBLVDNJTP-GQUKTMJCSA-N" . "InChI=1S/C44H58N12O9S/c1-3-25(2)38-43(63)49-31(20-27-22-46-29-12-6-5-11-28(27)29)40(60)50-33(44(64)56-17-8-13-34(56)42(62)48-30(39(45)59)21-36-52-54-55-53-36)24-66-19-16-26-10-4-7-14-35(26)65-18-9-15-37(58)47-32(23-57)41(61)51-38/h4-7,10-12,14,22,25,30-34,38,46,57H,3,8-9,13,15-21,23-24H2,1-2H3,(H2,45,59)(H,47,58)(H,48,62)(H,49,63)(H,50,60)(H,51,61)(H,52,53,54,55)/t25-,30-,31-,32-,33-,34-,38-/m0/s1" . "Nc1oc2c(n1)cc(cc2)c1nc(nc(n1)N1CCOCC1)N1CCOCC1" . "Nc1nc2cc(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1" . "LOQNSAZUXOBMAX-UHFFFAOYSA-N" . "InChI=1S/C18H21N7O3/c19-16-20-13-11-12(1-2-14(13)28-16)15-21-17(24-3-7-26-8-4-24)23-18(22-15)25-5-9-27-10-6-25/h1-2,11H,3-10H2,(H2,19,20)" . "COc1cc2nc(C)nc(c2cc1O[C@H]1CCOC1)N[C@@H](c1cc(N)cc(c1)C(F)(F)F)C" . "Cc1nc2cc(c(cc2c(n1)N[C@H](C)c1cc(cc(c1)N)C(F)(F)F)O[C@H]1CCOC1)OC" . "XVFDNRYZXDHTHT-PXAZEXFGSA-N" . "InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1" . "CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2)CC(=O)O)Cc2cccc4c2cccc4)CCC3)NC(=O)CCOCCOCCOCCN(CCOCCOCCOCCn2nnc(c2)CCC(=O)NCCCC[C@H]2NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CSCCC(=O)N3CN4C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(C2=O)CCC5)Cc2ccc(cc2)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@@H](CSCCC(=O)N(C4)C3)C(=O)N[C@H](C(=O)N)C)CCCC)NC(=O)C)CC(C)(C)C)CCOCCOCCOCCn2nnc(c2)CCC(=O)NCCCC[C@H]2NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CSCCC(=O)N3CN4C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(C2=O)CCC5)Cc2ccc(cc2)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@@H](CSCCC(=O)N(C4)C3)C(=O)N[C@H](C(=O)N)C)CCCC)NC(=O)C)CC(C)(C)C)C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCNC(=N)N)CC(=O)O)Cc1c[nH]c4c1cccc4)CO)[C@H](O)C)CCC3)CC(C2)O)Cc1c[nH]c2c1cccc2)C(=O)N" . "O=C(N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)Cc1c2c(cccc2)ccc1)CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](O)C)C(=O)N1[C@@H](CCC1)C(=O)N1[C@@H](CC(C1)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(=O)N)CCOCCOCCOCCN(CCOCCOCCOCCn1cc(nn1)CCC(=O)NCCCC[C@@H]1C(=O)N2[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N4[C@@H](CCC4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCCC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N)CSCCC(=O)N4CN(CN(C(=O)CCSC[C@@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CCC5)CC(C)(C)C)NC(=O)C)C4)C(=O)CCSC3)CCC2)CCOCCOCCOCCn1cc(nn1)CCC(=O)NCCCC[C@@H]1C(=O)N2[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N4[C@@H](CCC4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCCC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N)CSCCC(=O)N4CN(CN(C(=O)CCSC[C@@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CCC5)CC(C)(C)C)NC(=O)C)C4)C(=O)CCSC3)CCC2" . "DQYZLSMANMRIEI-BOFVMFDGSA-N" . "COc1ccc(cc1)[C@H]1CC(=O)c2c1c(OC)cc(c2)OC" . "O=C1C[C@H](c2ccc(OC)cc2)c2c(OC)cc(OC)cc12" . "OYJBHGSSAJNKJF-CQSZACIVSA-N" . "InChI=1S/C18H18O4/c1-20-12-6-4-11(5-7-12)14-10-16(19)15-8-13(21-2)9-17(22-3)18(14)15/h4-9,14H,10H2,1-3H3/t14-/m1/s1" . "COc1cccc(c1)[C@H](NC(=O)N1CCN(C[C@H]1C)c1ccncc1F)C" . "Fc1cnccc1N1C[C@H](N(CC1)C(=O)N[C@H](C)c1cc(ccc1)OC)C" . "CIPXFTLGPVQJKN-HUUCEWRRSA-N" . "InChI=1S/C20H25FN4O2/c1-14-13-24(19-7-8-22-12-18(19)21)9-10-25(14)20(26)23-15(2)16-5-4-6-17(11-16)27-3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,23,26)/t14-,15-/m1/s1" . "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCc1cc(c(cc31)OC)O" . "CQOQDQWUFQDJMK-SSTWWWIQSA-N" . "InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1" . "NCC[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1CCC[C@H]1CC(=O)N)CCC(=O)O)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCNC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N)CCC(=O)O)CC(=O)O" . "CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(=O)N)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(=O)N" . "FVDPKGPPYGTKTO-DLXWRWKMSA-N" . "InChI=1S/C50H70N10O16/c1-28(2)25-37(49(74)59(3)38(18-20-42(65)66)50(75)60-24-6-7-31(60)26-39(52)61)58-47(72)35(21-22-51)56-48(73)36(27-43(67)68)57-46(71)34(17-19-41(63)64)55-40(62)8-4-5-23-54-45(70)30-11-15-33(16-12-30)76-32-13-9-29(10-14-32)44(53)69/h9-16,28,31,34-38H,4-8,17-27,51H2,1-3H3,(H2,52,61)(H2,53,69)(H,54,70)(H,55,62)(H,56,73)(H,57,71)(H,58,72)(H,63,64)(H,65,66)(H,67,68)/t31-,34-,35-,36-,37-,38-/m0/s1" . "CC/C=C/C/C=C/C[C@@H](/C=C/C=C/C=C/[C@@H](C/C=C/CCC(=O)O)O)O" . "CC/C=C/C/C=C/C[C@@H](/C=C/C=C/C=C/[C@@H](C/C=C/CCC(=O)O)O)O" . "HLHYXXBCQOUTGK-LUSCUACYSA-N" . "InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11+,17-12+/t20-,21-/m0/s1" . "CC/C=C/C/C=C/C[C@@H]([C@@H](/C=C/C=C/C=C/C/C=C/CCC(=O)O)O)O" . "CC/C=C/C/C=C/C[C@@H]([C@@H](/C=C/C=C/C=C/C/C=C/CCC(=O)O)O)O" . "ALWYOLKNLLFCAY-GYROAIJESA-N" . "InChI=1S/C22H32O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,9-15,18,20-21,23-24H,2,5,8,16-17,19H2,1H3,(H,25,26)/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t20-,21+/m0/s1" . "FC([C@@]1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F" . "FC([C@@]1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F" . "XPOQHMRABVBWPR-ZDUSSCGKSA-N" . "InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1" . "C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@](C2)(C)O)CC[C@@](C(F)(F)F)(O)C" . "C[C@H](CC[C@@](C)(C(F)(F)F)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC=C2[C@@]1(CC[C@](C2)(C)O)C)C" . "BVBRUQYHUXKZMQ-JNVAYQLDSA-N" . "InChI=1S/C27H43F3O2/c1-17(10-13-26(5,32)27(28,29)30)20-8-9-21-19-7-6-18-16-23(2,31)14-15-24(18,3)22(19)11-12-25(20,21)4/h6,17,19-22,31-32H,7-16H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,25-,26+/m1/s1" . "OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1c(NC(C)C)nc2c1cc(Cl)c(c2)Cl" . "CC(C)Nc1nc2cc(c(cc2n1[C@@H]1[C@H]([C@H]([C@@H](O1)CO)O)O)Cl)Cl" . "KJFBVJALEQWJBS-XUXIUFHCSA-N" . "InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1" . "CNC(=O)c1ccc(cc1)Nc1nn(c(n1)N)C(=O)Nc1ccc(cc1)c1ccc(c(c1)C(=O)O)OCc1ccccc1" . "Nc1nc(Nc2ccc(C(=O)NC)cc2)nn1C(=O)Nc1ccc(c2cc(C(=O)O)c(OCc3ccccc3)cc2)cc1" . "SBHYXGMXVZWIKR-UHFFFAOYSA-N" . "InChI=1S/C31H27N7O5/c1-33-27(39)21-9-14-23(15-10-21)34-30-36-29(32)38(37-30)31(42)35-24-12-7-20(8-13-24)22-11-16-26(25(17-22)28(40)41)43-18-19-5-3-2-4-6-19/h2-17H,18H2,1H3,(H,33,39)(H,35,42)(H,40,41)(H3,32,34,36,37)" . "OC(=O)c1cc(ccc1OCc1ccccc1)c1ccc(cc1)NC(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N" . "Nc1nc(Nc2ccc(S(=O)(=O)N)cc2)nn1C(=O)Nc1ccc(c2cc(C(=O)O)c(OCc3ccccc3)cc2)cc1" . "KMNBCUUTUMNJGS-UHFFFAOYSA-N" . "InChI=1S/C29H25N7O6S/c30-27-34-28(32-21-11-13-23(14-12-21)43(31,40)41)35-36(27)29(39)33-22-9-6-19(7-10-22)20-8-15-25(24(16-20)26(37)38)42-17-18-4-2-1-3-5-18/h1-16H,17H2,(H,33,39)(H,37,38)(H2,31,40,41)(H3,30,32,34,35)" . "CO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccn2c1cccn2" . "CO/N=C(/c1nsc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1c2cccnn2cc1)C(=O)[O-]" . "QDUIJCOKQCCXQY-WHJQOFBOSA-N" . "InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1" . "O=C([C@H](C(C1CC1)C1CC1)NC(=O)c1ccnn1C(C)C)Nc1ccc(cc1)c1c(C)n[nH]c1C" . "n1(nccc1C(=O)N[C@@H](C(C1CC1)C1CC1)C(=O)Nc1ccc(cc1)c1c([nH]nc1C)C)C(C)C" . "CQKVACARDGYEMU-VWLOTQADSA-N" . "InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1" . "[Na]OC(=O)[C@H](Cc1ccc(cc1)OC(=O)N1CCCC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1" . "O=C([C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)Cc1ccc(cc1)OC(=O)N1CCCC1)OH" . "PNMINTLPFWMZKM-VROPFNGYSA-M" . "InChI=1S/C25H29N3O7S.Na/c29-23(22-9-6-16-28(22)36(33,34)20-7-2-1-3-8-20)26-21(24(30)31)17-18-10-12-19(13-11-18)35-25(32)27-14-4-5-15-27;/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2,(H,26,29)(H,30,31);/q;+1/p-1/t21-,22-;/m0./s1" . "O=C1NCCC[C@H]1C[C@@H](C(S(=O)(=O)O)O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c([nH]1)cccc2" . "[nH]1c(cc2ccccc12)C(=O)N1[C@@H]([C@@H]2[C@H](C1)CCC2)C(=O)N[C@H](C(S(=O)(=O)O)O)C[C@H]1C(=O)NCCC1" . "YRZQYTTUZBVUFK-KVAWWVGVSA-N" . "InChI=1S/C25H32N4O7S/c30-22-15(7-4-10-26-22)12-20(25(33)37(34,35)36)28-23(31)21-17-8-3-6-16(17)13-29(21)24(32)19-11-14-5-1-2-9-18(14)27-19/h1-2,5,9,11,15-17,20-21,25,27,33H,3-4,6-8,10,12-13H2,(H,26,30)(H,28,31)(H,34,35,36)/t15-,16-,17-,20-,21-,25?/m0/s1" . "O=C(N[C@H](C(=O)NC(C(=O)C(=O)NC1CC1)C[C@@H]1CCNC1=O)CC(C)(C)C)/C=C/c1ccc(cc1Cl)Cl" . "CC(C)(C)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1" . "BIIBYWQGRFWQKM-JVVROLKMSA-N" . "InChI=1S/C27H34Cl2N4O5/c1-27(2,3)14-21(32-22(34)9-5-15-4-6-17(28)13-19(15)29)25(37)33-20(12-16-10-11-30-24(16)36)23(35)26(38)31-18-7-8-18/h4-6,9,13,16,18,20-21H,7-8,10-12,14H2,1-3H3,(H,30,36)(H,31,38)(H,32,34)(H,33,37)/b9-5+/t16-,20?,21-/m0/s1" . "O=C[C@@H](NC(=O)C1[C@H]2CCC[C@H]2CN1C(=O)CCc1cccc(c1)F)C[C@@H]1CCNC1=O" . "[C@@H]12CCC[C@@H]1C(N(C2)C(=O)CCc1cccc(F)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O" . "FIOKKXQKMFIASF-NAQAXNRLSA-N" . "InChI=1S/C24H30FN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20-,22?/m0/s1" . "N#Cc1ccc(cc1Cl)N1N=C2[C@@H]([C@@H]1C1CCCC1)CCc1c2ccc(n1)C(=O)N1CCC(CC1)O" . "C1CCC(C1)[C@H]1[C@H]2CCc3c(C2=NN1c1cc(c(cc1)C#N)Cl)ccc(n3)C(=O)N1CCC(CC1)O" . "UXHQLGLGLZKHTC-CUNXSJBXSA-N" . "InChI=1S/C28H30ClN5O2/c29-23-15-19(6-5-18(23)16-30)34-27(17-3-1-2-4-17)22-8-9-24-21(26(22)32-34)7-10-25(31-24)28(36)33-13-11-20(35)12-14-33/h5-7,10,15,17,20,22,27,35H,1-4,8-9,11-14H2/t22-,27-/m0/s1" . "Fc1ccc(cc1)N1c2ccc(cc2OC(C1=O)(C)C)NS(=O)(=O)C" . "O=C1C(C)(C)Oc2cc(NS(=O)(=O)C)ccc2N1c1ccc(F)cc1" . "AZNHWXAFPBYFGH-UHFFFAOYSA-N" . "InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3" . "C1N2CN3CN1CN(C2)C3" . "C1N2CN3CN1CN(C2)C3" . "VKYKSIONXSXAKP-UHFFFAOYSA-N" . "InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2" . "O=C(N1[C@@H]2CC[C@H]1CC(C2)(O)c1ncccn1)c1csc(c1)c1c[nH]nc1" . "C1C[C@H]2CC(C[C@@H]1N2C(=O)c1csc(c1)c1c[nH]nc1)(c1ncccn1)O" . "MMZFGTAMARVHAF-RTHVDDQRSA-N" . "InChI=1S/C19H19N5O2S/c25-17(12-6-16(27-11-12)13-9-22-23-10-13)24-14-2-3-15(24)8-19(26,7-14)18-20-4-1-5-21-18/h1,4-6,9-11,14-15,26H,2-3,7-8H2,(H,22,23)/t14-,15+,19?" . "CCOC(=O)c1sc(nc1O)c1ccncc1" . "CCOC(=O)c1sc(nc1O)c1ccncc1" . "SHVRAFGUKKOKIO-UHFFFAOYSA-N" . "InChI=1S/C11H10N2O3S/c1-2-16-11(15)8-9(14)13-10(17-8)7-3-5-12-6-4-7/h3-6,14H,2H2,1H3" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCC2)/c1csc(n1)N" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1cccc2c1CCC2)C(=O)[O-]" . "DKOQGJHPHLTOJR-WHRDSVKCSA-N" . "InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1" . "OCCn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/OC)/c1csc(n1)N" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1ccc(n1CCO)N)C(=O)[O-]" . "BHXLLRXDAYEMPP-SBGRAJFYSA-N" . "InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1" . "COc1cc(F)cc(c1)C(=O)c1cc(C)c(c(c1)C)Oc1ccc2c(c1)c(OC)nc(c2O)C(=O)NCC(=O)O" . "O=C(NCC(=O)O)c1c(O)c2ccc(Oc3c(C)cc(C(=O)c4cc(OC)cc(F)c4)cc3C)cc2c(OC)n1" . "CRBPLLHXFFMVKV-UHFFFAOYSA-N" . "InChI=1S/C29H25FN2O8/c1-14-7-16(25(35)17-9-18(30)11-20(10-17)38-3)8-15(2)27(14)40-19-5-6-21-22(12-19)29(39-4)32-24(26(21)36)28(37)31-13-23(33)34/h5-12,36H,13H2,1-4H3,(H,31,37)(H,33,34)" . "N#Cc1nn(c2cc(Cl)c(c(c2)Cl)Oc2n[nH]c(=O)c(c2)C(C)C)c(=O)[nH]c1=O" . "Clc1cc(cc(c1Oc1n[nH]c(=O)c(c1)C(C)C)Cl)n1nc(c(=O)[nH]c1=O)C#N" . "FDBYIYFVSAHJLY-UHFFFAOYSA-N" . "InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O" . "C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)[O-])[C@@H](C)O" . "MRMBZHPJVKCOMA-YJFSRANCSA-N" . "InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1" . "CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O" . "Cc1c(ccc2c1oc(=O)c(c2O)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O[C@H]1[C@@H]([C@@H]([C@H](C(O1)(C)C)OC)OC(=O)N)O" . "YJQPYGGHQPGBLI-KGSXXDOSSA-N" . "InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1" . "O=C(Nc1ccc(cc1)c1cccnc1)Cc1ccc(cc1)c1ccnc(c1)C" . "Cc1nccc(c1)c1ccc(cc1)CC(=O)Nc1ccc(cc1)c1cnccc1" . "KHZOJCQBHJUJFY-UHFFFAOYSA-N" . "InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)" . "CCCn1c(SCC(=O)Nc2nc3c(s2)cc(cc3)OC)nnc1c1ccncc1" . "CCCn1c(nnc1SCC(=O)Nc1nc2c(s1)cc(cc2)OC)c1ccncc1" . "JIUFLMSAFMXEEC-UHFFFAOYSA-N" . "InChI=1S/C20H20N6O2S2/c1-3-10-26-18(13-6-8-21-9-7-13)24-25-20(26)29-12-17(27)23-19-22-15-5-4-14(28-2)11-16(15)30-19/h4-9,11H,3,10,12H2,1-2H3,(H,22,23,27)" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)/c1csc(n1)N" . "Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/c2csc(n2)N)SC1)C(=O)O" . "HJJDBAOLQAWBMH-YCRCPZNHSA-N" . "InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1" . "O/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C=C" . "C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/O)/c2csc(n2)N)SC1)C(=O)O" . "RTXOFQZKPXMALH-GHXIOONMSA-N" . "InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1" . "OC(=O)C/C=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O)/c1csc(n1)N" . "C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C/CC(=O)O)/c1csc(n1)N)C(=O)O" . "UNJFKXSSGBWRBZ-BJCIPQKHSA-N" . "InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1" . "CCC1(CC)CC(=O)N(C(=N1)N)[C@@H](c1cccc(c1)C(=O)N[C@H]1CCOc2c1cccc2)CC(C)C" . "[C@H](CC(C)C)(N1C(=O)CC(CC)(CC)N=C1N)c1cc(C(=O)N[C@@H]2c3c(OCC2)cccc3)ccc1" . "PDKYBFRBTVUAEM-BJKOFHAPSA-N" . "InChI=1S/C29H38N4O3/c1-5-29(6-2)18-26(34)33(28(30)32-29)24(16-19(3)4)20-10-9-11-21(17-20)27(35)31-23-14-15-36-25-13-8-7-12-22(23)25/h7-13,17,19,23-24H,5-6,14-16,18H2,1-4H3,(H2,30,32)(H,31,35)/t23-,24+/m0/s1" . "Oc1ccc(cc1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)NC(=O)c1c[nH]c(cc1=O)C" . "Cc1cc(=O)c(c[nH]1)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CSc1nnnn1C)C(=O)O" . "PWAUCHMQEXVFJR-PMAPCBKXSA-N" . "InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1" . "CO[C@@]1(NC(=O)C(c2ccc(cc2)O)C(=O)O)C(=O)N2[C@@H]1OCC(=C2C(=O)O)CSc1nnnn1C" . "Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)C(c2ccc(cc2)O)C(=O)O)OC)OC1)C(=O)O" . "JWCSIUVGFCSJCK-CAVRMKNVSA-N" . "InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1" . "CC#CC(=O)Nc1cc(c(cc1N1C[C@H]2C[C@@H]1CO2)OC)c1ncc2c(c1)n(CC)c(=O)c(c2)c1c(Cl)c(OC)cc(c1Cl)OC" . "[C@H]12OC[C@H](N(C1)c1c(cc(c(c1)OC)c1ncc3cc(c(=O)n(c3c1)CC)c1c(c(cc(c1Cl)OC)OC)Cl)NC(=O)C#CC)C2" . "VDIDNMGZRIMBKL-WOJBJXKFSA-N" . "InChI=1S/C34H32Cl2N4O6/c1-6-8-30(41)38-24-11-21(27(43-3)13-26(24)40-16-20-10-19(40)17-46-20)23-12-25-18(15-37-23)9-22(34(42)39(25)7-2)31-32(35)28(44-4)14-29(45-5)33(31)36/h9,11-15,19-20H,7,10,16-17H2,1-5H3,(H,38,41)/t19-,20-/m1/s1" . "Fc1ccc(cc1)Cc1sc2c(c1C(=O)NCc1ccc(cc1)C(=O)O)CCOC2" . "O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2" . "WXDKVCQSVUOFSK-UHFFFAOYSA-N" . "InChI=1S/C23H20FNO4S/c24-17-7-3-14(4-8-17)11-19-21(18-9-10-29-13-20(18)30-19)22(26)25-12-15-1-5-16(6-2-15)23(27)28/h1-8H,9-13H2,(H,25,26)(H,27,28)" . "CC(C[C@@H](C(=O)N[C@H]([C@@H](S(=O)(=O)O)O)C[C@@H]1CCNC1=O)NC(=O)OC1CC2(C1)CCN(CC2)S(=O)(=O)C)C" . "O[C@@H]([C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@@H](NC(=O)OC1CC2(C1)CCN(CC2)S(=O)(=O)C)CC(C)C)S(=O)(=O)O" . "DXHKTWBJEAVWSD-QUJKESNLSA-N" . "InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21+/m0/s1" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(=NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)c1=NC3(Nc21)CCN(CC3)CC(C)C" . "C[C@H]1/C=C/C=C(/C(=O)N=c2c(c3c(c4c2=NC2(N4)CCN(CC2)CC(C)C)c2c(c(c3O)C)O[C@@](C2=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)/C" . "ZWBTYMGEBZUQTK-PVLSIAFMSA-N" . "InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14-,47-36?/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCN(CC4)C4CCCC4)c(c(c2c(c3C)O)O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "C[C@H]1/C=C/C=C(/C(=O)Nc2c(c(c3c(c2O)c(c(c2c3C(=O)[C@](O2)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N1CCN(CC1)C1CCCC1)/C" . "WDZCUPBHRAEYDL-GZAUEHORSA-N" . "InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(c3c2nc2n3ccc(c2)C)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "C[C@H]1/C=C/C=C(/C(=O)Nc2c(c3c(c4c(c(c3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)c1c2n2ccc(cc2n1)C)O)/C" . "NZCRJKRKKOLAOJ-XRCRFVBUSA-N" . "InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1" . "CSc1c(Cl)ccc2c1n(CC(=O)O)c1c(c2=O)ccc(c1)C(C)(C)C" . "CSc1c(Cl)ccc2c1n(CC(=O)O)c1c(ccc(c1)C(C)(C)C)c2=O" . "CLGJCTXUWJLYHO-UHFFFAOYSA-N" . "InChI=1S/C20H20ClNO3S/c1-20(2,3)11-5-6-12-15(9-11)22(10-16(23)24)17-13(18(12)25)7-8-14(21)19(17)26-4/h5-9H,10H2,1-4H3,(H,23,24)" . "C[C@@H]1N[C@H](C)CN(C1)Cc1cc(Nc2ncc(c(n2)c2c[nH]c3c2ccc(c3)C)Cl)cc(c1)C1CC1" . "C[C@@H]1CN(C[C@@H](N1)C)Cc1cc(cc(c1)Nc1ncc(c(n1)c1c[nH]c2c1ccc(c2)C)Cl)C1CC1" . "FZLSDZZNPXXBBB-KDURUIRLSA-N" . "InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+" . "[O-]C(=O)C(=O)[O-]" . "[O-]C(=O)C(=O)[O-]" . "MUBZPKHOEPUJKR-UHFFFAOYSA-L" . "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2" . "COc1cc(ccc1Nc1ncc(c(n1)NC)C)C(=O)N1CCN(CC1)C[C@@H]1CC[C@H](CC1)CSC([C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)NC(=O)C1(F)CC1)(C)C" . "CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(C[C@H]3CC[C@H](CSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(cc4)c4scnc4C)CC3)CC2)ncc1C" . "XSOATTNBVDAEAR-QGHWPEOCSA-N" . "InChI=1S/C51H67FN10O6S2/c1-31-25-55-49(59-44(31)53-5)57-39-16-15-37(23-41(39)68-6)46(65)61-21-19-60(20-22-61)27-34-7-9-35(10-8-34)29-70-50(3,4)43(58-48(67)51(52)17-18-51)47(66)62-28-38(63)24-40(62)45(64)54-26-33-11-13-36(14-12-33)42-32(2)56-30-69-42/h11-16,23,25,30,34-35,38,40,43,63H,7-10,17-22,24,26-29H2,1-6H3,(H,54,64)(H,58,67)(H2,53,55,57,59)/t34-,35-,38-,40+,43-/m1/s1" . "Fc1cc(F)c2c(c1)OCC[C@@H]2Oc1cc(cc2c1nc([nH]2)C)C(=O)N(C)C" . "Cc1nc2c([nH]1)cc(cc2O[C@H]1CCOc2c1c(cc(c2)F)F)C(=O)N(C)C" . "CLIQCDHNPDMGSL-HNNXBMFYSA-N" . "InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1" . "O=C(c1ccc(cc1N1CCC2(CC1)CC2)NS(=O)(=O)C1(C)CC1)Nc1cccc(c1)S(=O)(=O)NC(C)(C)C" . "CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2c(cc(NS(=O)(=O)C3(C)CC3)cc2)N2CCC3(CC3)CC2)ccc1" . "MZGYQJDGUVDYIK-UHFFFAOYSA-N" . "InChI=1S/C28H38N4O5S2/c1-26(2,3)31-38(34,35)22-7-5-6-20(18-22)29-25(33)23-9-8-21(30-39(36,37)27(4)10-11-27)19-24(23)32-16-14-28(12-13-28)15-17-32/h5-9,18-19,30-31H,10-17H2,1-4H3,(H,29,33)" . "OC(=O)C1CCC(CC1)NCC1(F)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2c2c(C(C1=O)(C)C)ncc(c2)Cl" . "Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1" . "JAOGFYSXDYNYSX-UHFFFAOYSA-N" . "InChI=1S/C32H33Cl2FN4O3/c1-31(2)28-26(13-21(34)15-36-28)25-12-5-20(33)14-27(25)39(30(31)42)24-10-8-23(9-11-24)38-17-32(35,18-38)16-37-22-6-3-19(4-7-22)29(40)41/h5,8-15,19,22,37H,3-4,6-7,16-18H2,1-2H3,(H,40,41)" . "Fc1cccc(n1)c1ccc(cc1)Cn1nc2c(c1Nc1ccccc1)c(=O)n(c1=N[C@H]3[C@@H](n21)CCC3)C" . "Cn1c(=O)c2c(n(nc2n2c1=N[C@H]1[C@@H]2CCC1)Cc1ccc(cc1)c1nc(ccc1)F)Nc1ccccc1" . "BBIPVJCGIASXJB-PKTZIBPZSA-N" . "InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1" . "F[C@@H]1CCN(C1)C(=O)c1ccc2c(n1)ccc(c2)Oc1ccc(cn1)C(F)(F)F" . "F[C@H]1CN(CC1)C(=O)c1nc2ccc(cc2cc1)Oc1ncc(cc1)C(F)(F)F" . "FWLFRXVPNVBXGR-CQSZACIVSA-N" . "InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1" . "CN1CCC(CC1)c1ccc(cc1)c1ccc2c(c1)C(=O)N(C2)C(c1cc(F)ccc1O)C(=O)Nc1nccs1" . "CN1CCC(CC1)c1ccc(cc1)c1cc2c(CN(C(C(=O)Nc3nccs3)c3c(O)ccc(F)c3)C2=O)cc1" . "SYTVDTWRIZNVEW-UHFFFAOYSA-N" . "InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)" . "CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCN(CC1)CCNC(=O)CCCCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cc(CN2CCN(CCNC(=O)CCCCCCCNc3c4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4ccc3)CC2)ccc1" . "STBAQMSNPQNEBZ-UHFFFAOYSA-N" . "InChI=1S/C52H61F3N10O7/c1-61-21-27-64(28-22-61)42-15-14-36(30-41(42)59-48(69)38-32-58-46(68)31-39(38)52(53,54)55)35-10-7-9-34(29-35)33-63-25-23-62(24-26-63)20-19-57-44(66)13-5-3-2-4-6-18-56-40-12-8-11-37-47(40)51(72)65(50(37)71)43-16-17-45(67)60-49(43)70/h7-12,14-15,29-32,43,56H,2-6,13,16-28,33H2,1H3,(H,57,66)(H,58,68)(H,59,69)(H,60,67,70)" . "CCn1nc(c(c1)c1cc(Cn2cncc2)cc2c1CCN(C2=O)[C@H](c1nccc(c1)C)C1CC1)C(F)(F)F" . "CCn1cc(c(n1)C(F)(F)F)c1cc(Cn2ccnc2)cc2c1CCN([C@@H](C1CC1)c1cc(C)ccn1)C2=O" . "FFUQRXFVTVBZMZ-SANMLTNESA-N" . "InChI=1S/C29H29F3N6O/c1-3-37-16-24(27(35-37)29(30,31)32)22-13-19(15-36-11-9-33-17-36)14-23-21(22)7-10-38(28(23)39)26(20-4-5-20)25-12-18(2)6-8-34-25/h6,8-9,11-14,16-17,20,26H,3-5,7,10,15H2,1-2H3/t26-/m0/s1" . "c1csc(c1)/C=C/c1[nH]ncc1" . "c1csc(c1)/C=C/c1ccn[nH]1" . "FOHWAQGURRYJFK-ONEGZZNKSA-N" . "InChI=1S/C9H8N2S/c1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-7H,(H,10,11)/b4-3+" . "CSc1[nH]n2c(n1)nnc(c2=O)[N+](=O)[O-]" . "CSc1nc2nnc(c(=O)n2[nH]1)[N+](=O)[O-]" . "IDVQGNMSSHPZSJ-UHFFFAOYSA-N" . "InChI=1S/C5H4N6O3S/c1-15-5-6-4-8-7-2(11(13)14)3(12)10(4)9-5/h1H3,(H,6,8,9)" . "C=CC(=O)N1C[C@@H]2CCOc3c4c(N2C[C@H]1C)ncnc4c(c(c3Cl)c1c(O)cccc1F)F" . "C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c1c(cccc1F)O)F)ncn3" . "KYVBBJIEKCCZTM-OLZOCXBDSA-N" . "InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1" . "OC(=O)[C@H](c1ccc(cc1)C[C@H]1CCC[C@@H]1O)C" . "O[C@@H]1[C@H](CCC1)Cc1ccc(cc1)[C@@H](C(=O)O)C" . "SHAHPWSYJFYMRX-GDLCADMTSA-N" . "InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1" . "COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)[C@@H]1C[C@H](CC)[C@H]([C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O[C@H](C(=O)O)CC1CCCCC1)O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O" . "CC[C@H]1C[C@H](C[C@H]([C@@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H](CC1CCCCC1)C(=O)O)NC(=O)C)C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC" . "LYSYOXNOOPBOSC-NGSKMYNLSA-N" . "InChI=1S/C60H109N3O27/c1-5-44-38-45(39-46(55(44)90-60-54(70)53(69)51(67)41(2)86-60)88-59-50(63-42(3)65)56(52(68)48(40-64)89-59)87-47(58(72)73)37-43-9-7-6-8-10-43)57(71)62-13-12-61-49(66)11-14-75-17-18-77-21-22-79-25-26-81-29-30-83-33-34-85-36-35-84-32-31-82-28-27-80-24-23-78-20-19-76-16-15-74-4/h41,43-48,50-56,59-60,64,67-70H,5-40H2,1-4H3,(H,61,66)(H,62,71)(H,63,65)(H,72,73)/t41-,44-,45+,46+,47-,48+,50+,51+,52-,53+,54-,55+,56+,59+,60-/m0/s1" . "O=C1CC(=NN1c1ccccc1)C" . "CC1=NN(C(=O)C1)c1ccccc1" . "QELUYTUMUWHWMC-UHFFFAOYSA-N" . "InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3" . "N#C[C@]1(O[C@@H]([C@H]([C@H]1OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C(C)C)c1cc(c2n1ncnc2N)[2H]" . "c1([2H])c2n(ncnc2N)c(c1)[C@@]1(O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C)C#N" . "RVSSLHFYCSUAHY-QXMJNOOVSA-N" . "InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1/i7D" . "ClCCN(C(COc1ccccc1)C)Cc1ccccc1" . "ClCCN(C(COc1ccccc1)C)Cc1ccccc1" . "QZVCTJOXCFMACW-UHFFFAOYSA-N" . "InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3" . "N#Cc1ccc(c(c1C(F)(F)F)F)N1C(=S)N(C(C1=O)(C)C)c1ccc(nc1)CCCc1ncco1" . "CC1(C(=O)N(C(=S)N1c1cnc(cc1)CCCc1ncco1)c1c(c(c(cc1)C#N)C(F)(F)F)F)C" . "KCBJGVDOSBKVKP-UHFFFAOYSA-N" . "InChI=1S/C24H19F4N5O2S/c1-23(2)21(34)32(17-9-6-14(12-29)19(20(17)25)24(26,27)28)22(36)33(23)16-8-7-15(31-13-16)4-3-5-18-30-10-11-35-18/h6-11,13H,3-5H2,1-2H3" . "Clc1ccc(cc1)CNc1cc(N2CCC(CC2)NC(C)(C)C)c2c(n1)cccc2" . "CC(C)(C)NC1CCN(CC1)c1cc(nc2ccccc12)NCc1ccc(cc1)Cl" . "QVXSJSXAVQJXOV-UHFFFAOYSA-N" . "InChI=1S/C25H31ClN4/c1-25(2,3)29-20-12-14-30(15-13-20)23-16-24(28-22-7-5-4-6-21(22)23)27-17-18-8-10-19(26)11-9-18/h4-11,16,20,29H,12-15,17H2,1-3H3,(H,27,28)" . "OC(=O)[C@@H]1[C@@H](Cc2ccnc(c2)N)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C" . "Nc1nccc(c1)C[C@@H]1[C@H](N(C1=O)C(=O)N[C@H](C)C1CCCCC1)C(=O)O" . "NYPSZHLKEMYZKK-XFJVYGCCSA-N" . "InChI=1S/C19H26N4O4/c1-11(13-5-3-2-4-6-13)22-19(27)23-16(18(25)26)14(17(23)24)9-12-7-8-21-15(20)10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3,(H2,20,21)(H,22,27)(H,25,26)/t11-,14-,16+/m1/s1" . "CN1CC[C@H]([C@@H](C1)F)Nc1n[nH]c2c1cc(C1CC1)c(c2)c1cc(C)nc(c1)C" . "C1(CC1)c1cc2c(n[nH]c2cc1c1cc(nc(c1)C)C)N[C@H]1[C@@H](CN(CC1)C)F" . "PNGWZDXPZBZBRC-NHCUHLMSSA-N" . "InChI=1S/C23H28FN5/c1-13-8-16(9-14(2)25-13)18-11-22-19(10-17(18)15-4-5-15)23(28-27-22)26-21-6-7-29(3)12-20(21)24/h8-11,15,20-21H,4-7,12H2,1-3H3,(H2,26,27,28)/t20-,21-/m1/s1" . "F[C@H]1CN([C@@H](C1)C(=O)Nc1cccc(n1)Br)C(=O)Cn1nc(c2c1ccc(c2)c1cnc(nc1)C)C(=O)C" . "Cc1ncc(cn1)c1cc2c(cc1)n(nc2C(=O)C)CC(=O)N1C[C@@H](C[C@H]1C(=O)Nc1nc(ccc1)Br)F" . "PIBARDGJJAGJAJ-NQIIRXRSSA-N" . "InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1" . "O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C" . "C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O" . "NKDFYOWSKOHCCO-YPVLXUMRSA-N" . "InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1" . "C#CCn1c(=O)n(c2c1c(=O)[nH]c(n2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)F)CO" . "Nc1[nH]c(=O)c2n(c(=O)n(c2n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)F)CO)CC#C" . "TVTJUIAKQFIXCE-HUKYDQBMSA-N" . "InChI=1S/C13H14FN5O5/c1-2-3-18-7-9(16-12(15)17-10(7)22)19(13(18)23)11-8(21)6(14)5(4-20)24-11/h1,5-6,8,11,20-21H,3-4H2,(H3,15,16,17,22)/t5-,6-,8-,11-/m1/s1" . "CN(CC/C=C/1/c2ccccc2Sc2c1cc(Cl)cc2)C" . "CN(C)CC/C=C/1/c2ccccc2Sc2c1cc(cc2)Cl" . "WSPOMRSOLSGNFJ-AUWJEWJLSA-N" . "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-" . "OC[C@@H](C(=O)N1CC2=C(C1)CN(C2)S(=O)(=O)c1cnc2c(c1)OCCO2)c1ccccc1" . "C1COc2c(O1)cc(cn2)S(=O)(=O)N1CC2=C(C1)CN(C2)C(=O)[C@H](CO)c1ccccc1" . "KZFFYEPYCVDOGE-LJQANCHMSA-N" . "InChI=1S/C22H23N3O6S/c26-14-19(15-4-2-1-3-5-15)22(27)24-10-16-12-25(13-17(16)11-24)32(28,29)18-8-20-21(23-9-18)31-7-6-30-20/h1-5,8-9,19,26H,6-7,10-14H2/t19-/m1/s1" . "OC(=O)C1=CCCNC1" . "OC(=O)C1=CCCNC1" . "QTDZOWFRBNTPQR-UHFFFAOYSA-N" . "InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)" . "CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@H](C)NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1cn(c2c1cccc2)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)C)C(=O)N([C@@H]([C@H](CC)C)C(=O)N)C)NC(=O)[C@@H](Cc1ccc(cc1)O)N)C" . "CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1cn(c2ccccc12)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2ccccc12)C)C)Cc1cnc[nH]1)CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)N" . "MUSGYEMSJUFFHT-UWABRSFTSA-N" . "InChI=1S/C83H117N23O18S2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90)/t43-,44-,45-,53+,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1" . "CCCc1c([nH]n(c1=O)c1ccccn1)c1ccccc1" . "CCCc1c([nH]n(c1=O)c1ccccn1)c1ccccc1" . "GIWZEELPLKPYBA-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3" . "OC(=O)c1ccc(cc1)CN1C[C@@H]2C[C@H]1CN2Cc1ccc(cc1)Oc1ccc(cc1)c1ncco1" . "C1[C@H]2CN([C@@H]1CN2Cc1ccc(cc1)Oc1ccc(cc1)c1ncco1)Cc1ccc(cc1)C(=O)O" . "GERJIEKMNDGSCS-DQEYMECFSA-N" . "InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1" . "C=CC(=O)N1CCC(CC1)(F)CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N" . "C=CC(=O)N1CCC(CC1)(CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N)F" . "OXOXFDSEGFLWLU-UHFFFAOYSA-N" . "InChI=1S/C25H26FN5O2/c1-2-21(32)31-14-12-25(26,13-15-31)16-28-24-22(23(27)29-17-30-24)18-8-10-20(11-9-18)33-19-6-4-3-5-7-19/h2-11,17H,1,12-16H2,(H3,27,28,29,30)" . "OC[C@@H]1CCCN1Cc1ccc(cc1)COc1cc(C)c(c(c1)CS(=O)(=O)c1ccccc1)Br" . "Cc1cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br" . "HHZHOYGIUZUEII-DEOSSOPVSA-N" . "InChI=1S/C27H30BrNO4S/c1-20-14-25(15-23(27(20)28)19-34(31,32)26-7-3-2-4-8-26)33-18-22-11-9-21(10-12-22)16-29-13-5-6-24(29)17-30/h2-4,7-12,14-15,24,30H,5-6,13,16-19H2,1H3/t24-/m0/s1" . "OC(=O)CNC(=O)c1ncc(cc1O)c1cccc(c1)Cl" . "c1cc(cc(c1)Cl)c1cc(c(nc1)C(=O)NCC(=O)O)O" . "JGRXMPYUTJLTKT-UHFFFAOYSA-N" . "InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)" . "O=C(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)NCC1CCC(CC1)C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1ccc2c(c1)cccc2" . "C1CC(CCC1CNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](Cc1cc2ccccc2cc1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O" . "JBHPLHATEXGMQR-VLOIPPKDSA-N" . "InChI=1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32?,35?,37-,38-,39-/m0/s1" . "OC(=O)[C@H](CCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)C#Cc1cnc2c(c1)cccc2)N" . "Nc1c2c(ncn1)n(cc2C#Cc1cnc2ccccc2c1)[C@H]1[C@@H]([C@@H]([C@H](O1)CSCC[C@H](N)C(=O)O)O)O" . "SPMFBZXXQBXKFX-LUOSIZPJSA-N" . "InChI=1S/C26H26N6O5S/c27-17(26(35)36)7-8-38-12-19-21(33)22(34)25(37-19)32-11-16(20-23(28)30-13-31-24(20)32)6-5-14-9-15-3-1-2-4-18(15)29-10-14/h1-4,9-11,13,17,19,21-22,25,33-34H,7-8,12,27H2,(H,35,36)(H2,28,30,31)/t17-,19+,21+,22+,25+/m0/s1" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(c1ccccc1c(=O)n2C)S(=O)(=O)C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "C(C)Oc1c(ccc(c1)C(=O)N1CCC(CC1)N1CCN(CC1)C)Nc1ncc2n(c(=O)c3c(n(c2n1)S(=O)(=O)C)cccc3)C" . "HTFNVAVTYILUCF-UHFFFAOYSA-N" . "InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)" . "N#Cc1c(sc2c1CCN(C2)C(=O)Nc1ccc(cc1)OC)NC(=O)c1cnn(c1)C" . "O=C(c1cn(C)nc1)Nc1c(C#N)c2c(s1)CN(C(=O)Nc1ccc(OC)cc1)CC2" . "WVYHDFDOBCBKGI-UHFFFAOYSA-N" . "InChI=1S/C21H20N6O3S/c1-26-11-13(10-23-26)19(28)25-20-17(9-22)16-7-8-27(12-18(16)31-20)21(29)24-14-3-5-15(30-2)6-4-14/h3-6,10-11H,7-8,12H2,1-2H3,(H,24,29)(H,25,28)" . "OC(=O)c1nn(Cc2ccc(c(c2)Cl)Cl)c(=O)c2c1ccc(c2)Oc1ccccc1" . "Clc1cc(Cn2nc(c3ccc(cc3c2=O)Oc2ccccc2)C(=O)O)ccc1Cl" . "IQKNCBUBONVBNJ-UHFFFAOYSA-N" . "InChI=1S/C22H14Cl2N2O4/c23-18-9-6-13(10-19(18)24)12-26-21(27)17-11-15(30-14-4-2-1-3-5-14)7-8-16(17)20(25-26)22(28)29/h1-11H,12H2,(H,28,29)" . "Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1O[C@H]2[C@H]([C@H]1O[P@](=O)(S)OC[C@@H]1[C@@H](O[P@@](=O)(OC2)S)[C@@H]([C@@H](O1)n1cnc2c1ncnc2N)F)F" . "Nc1ncnc2c1ncn2[C@H]1[C@@H](F)[C@@H]2O[P@](=O)(S)OC[C@@H]3[C@H]([C@@H](O[P@@](=O)(OC[C@H]2O1)S)[C@@H](O3)n1c2nc(N)[nH]c(=O)c2nc1)F" . "YSUIQYOGTINQIN-CLMXYZJCSA-N" . "InChI=1S/C20H22F2N10O9P2S2/c21-8-6-1-36-42(34,44)40-12-7(39-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-37-43(35,45)41-13(8)19(38-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,44)(H,35,45)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9+,12-,13-,18-,19-,42-,43-/m1/s1" . "CCN(S(=O)(=O)c1ccc(c(c1)C#N)OC)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@H](O)[C@@H](CN(CC)S(=O)(=O)c2ccc(OC)c(C#N)c2)O[C@H]1n1cnc2c1ncnc2N" . "ZHVNWPYRBLBLOS-WVSUBDOOSA-N" . "InChI=1S/C20H23N7O6S/c1-3-26(34(30,31)12-4-5-13(32-2)11(6-12)7-21)8-14-16(28)17(29)20(33-14)27-10-25-15-18(22)23-9-24-19(15)27/h4-6,9-10,14,16-17,20,28-29H,3,8H2,1-2H3,(H2,22,23,24)/t14-,16-,17-,20-/m1/s1" . "O=CCc1c[nH]c2c1cc(O)cc2" . "O=CCc1c[nH]c2c1cc(O)cc2" . "OBFAPCIUSYHFIE-UHFFFAOYSA-N" . "InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2" . "Cc1cnc(s1)c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@@H](c1cnc(nc1)C(F)(F)F)C" . "Cc1cnc(s1)c1cc(cc(c1)O[C@@H]1CCOC1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F" . "GTQPEQGDLVSFJO-CXAGYDPISA-N" . "InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1" . "CC(CCN[C@@H]1CCc2c(C1)c(F)c(c(c2)O)N1CC(=O)NS1(=O)=O)C" . "CC(C)CCN[C@@H]1CCc2c(C1)c(F)c(N1CC(=O)NS1(=O)=O)c(O)c2" . "DVFCRTGTEXUFIN-GFCCVEGCSA-N" . "InChI=1S/C17H24FN3O4S/c1-10(2)5-6-19-12-4-3-11-7-14(22)17(16(18)13(11)8-12)21-9-15(23)20-26(21,24)25/h7,10,12,19,22H,3-6,8-9H2,1-2H3,(H,20,23)/t12-/m1/s1" . "COC[C@@H](C(=O)Nc1scc(n1)c1cccc(n1)N1C[C@H](C)O[C@@H](C1)C)NC(=O)c1ccn(c1)S(=O)(=O)C" . "COC[C@H](NC(=O)c1cn(cc1)S(=O)(=O)C)C(=O)Nc1nc(cs1)c1cccc(n1)N1C[C@H](C)O[C@H](C)C1" . "JBLQNFBXKOAIHG-FCEWJHQRSA-N" . "InChI=1S/C24H30N6O6S2/c1-15-10-29(11-16(2)36-15)21-7-5-6-18(25-21)20-14-37-24(27-20)28-23(32)19(13-35-3)26-22(31)17-8-9-30(12-17)38(4,33)34/h5-9,12,14-16,19H,10-11,13H2,1-4H3,(H,26,31)(H,27,28,32)/t15-,16+,19-/m0/s1" . "N#Cc1cccc(c1C)[C@H](Nc1nnc(c2c1cc(nc2)N1CCOCC1)C)C" . "C[C@@H](Nc1nnc(C)c2c1cc(nc2)N1CCOCC1)c1cccc(C#N)c1C" . "ILPWEAHQRAWJIU-OAHLLOKOSA-N" . "InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1" . "COc1cc(cc(c1CN1CC[C@@H](C(C1)(F)F)N1CCN(CC1)c1ccc(cc1F)N[C@@H]1CCC(=O)NC1=O)OC)c1cn(C)c(=O)c(c1C)C" . "Cc1c(c(=O)n(cc1c1cc(c(c(c1)OC)CN1CC[C@@H](C(C1)(F)F)N1CCN(CC1)c1c(cc(cc1)N[C@@H]1CCC(=O)NC1=O)F)OC)C)C" . "GNRGNRCQXHMQQV-CPBHLAHYSA-N" . "InChI=1S/C37H45F3N6O5/c1-22-23(2)36(49)43(3)19-26(22)24-16-31(50-4)27(32(17-24)51-5)20-44-11-10-33(37(39,40)21-44)46-14-12-45(13-15-46)30-8-6-25(18-28(30)38)41-29-7-9-34(47)42-35(29)48/h6,8,16-19,29,33,41H,7,9-15,20-21H2,1-5H3,(H,42,47,48)/t29-,33+/m1/s1" . "C=CC(=O)N1CCN([C@H](C1)C)c1nc(OC[C@@H]2CCCN2C)nc2c1cc(Cl)c(c2F)c1nc(N)cc(c1C(F)(F)F)C" . "C[C@H]1CN(CCN1c1c2cc(Cl)c(c(F)c2nc(OC[C@@H]2CCCN2C)n1)c1c(c(C)cc(N)n1)C(F)(F)F)C(=O)C=C" . "ZRBPIAWWRPFDPY-IRXDYDNUSA-N" . "InChI=1S/C29H32ClF4N7O2/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36)/t16-,17-/m0/s1" . "CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1[nH]c2c(c1)c(C)ccc2F" . "CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c([nH]1)c(F)ccc2C" . "ZGFOQXUCQAEQHH-SJORKVTESA-N" . "InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)21-18(14)13-20(25-21)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1" . "O=C1CC[C@@H](C(=O)N1)n1c2ccc(c3c2c(c1=O)ccc3)Cc1ccc(cc1)CN1CCOCC1" . "O=c1n([C@H]2CCC(=O)NC2=O)c2ccc(Cc3ccc(CN4CCOCC4)cc3)c3cccc1c23" . "MUKCJOOKCZSQNW-DEOSSOPVSA-N" . "InChI=1S/C28H27N3O4/c32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30/h1-9,24H,10-17H2,(H,29,32,33)/t24-/m0/s1" . "Fc1cc(F)c(c(c1)F)CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2(C)C" . "Clc1c(CN2C(=O)C(c3ccc(cc23)C(=O)NCc2c(cc(cc2F)F)F)(C)C)c(ccc1)F" . "OEBVYNULNKSONR-UHFFFAOYSA-N" . "InChI=1S/C25H19ClF4N2O2/c1-25(2)17-7-6-13(23(33)31-11-15-20(29)9-14(27)10-21(15)30)8-22(17)32(24(25)34)12-16-18(26)4-3-5-19(16)28/h3-10H,11-12H2,1-2H3,(H,31,33)" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCNc1cnn(c(=O)c1Cl)C" . "Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl" . "BQNLTXZVZWVEDX-UHFFFAOYSA-N" . "InChI=1S/C19H21ClFN5O2/c1-25-19(27)17(20)15(11-23-25)22-6-9-26-7-4-12(5-8-26)18-14-3-2-13(21)10-16(14)28-24-18/h2-3,10-12,22H,4-9H2,1H3" . "CC(C[C@@](COc1ccc(nc1C(F)F)c1ccnc(c1)C(F)F)(N)C)C" . "CC(C)C[C@](C)(N)COc1c(nc(cc1)c1ccnc(c1)C(F)F)C(F)F" . "RKAHOQATMSONTM-IBGZPJMESA-N" . "InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1" . "COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O" . "COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O" . "QEGXAAUCDUFHPJ-UHFFFAOYSA-N" . "InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3" . "NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)Cc1ccccc1)NS(=O)(=O)C" . "CS(=O)(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1" . "JTHVOFMYRRNGPA-ACRUOGEOSA-N" . "InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1" . "Cc1ccc(cc1)C1=CCC(c2c1cc(cc2)C(=O)Nc1ccc(cc1)C(=O)O)(C)C" . "Cc1ccc(cc1)C1=CCC(C)(C)c2c1cc(cc2)C(=O)Nc1ccc(cc1)C(=O)O" . "WSQCBOJFDSJLNS-UHFFFAOYSA-N" . "InChI=1S/C27H25NO3/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)24-13-10-20(16-23(22)24)25(29)28-21-11-8-19(9-12-21)26(30)31/h4-14,16H,15H2,1-3H3,(H,28,29)(H,30,31)" . "Cc1ccc(cc1)C1=CC(C)(C)Oc2c1cc(cc2)c1ccc([nH]1)c1ccc(cc1)C(=O)[O-]" . "Cc1ccc(cc1)C1=CC(C)(C)Oc2c1cc(cc2)c1ccc([nH]1)c1ccc(cc1)C(=O)[O-]" . "QLXSCDXZOYRDAX-UHFFFAOYSA-M" . "InChI=1S/C29H25NO3/c1-18-4-6-19(7-5-18)24-17-29(2,3)33-27-15-12-22(16-23(24)27)26-14-13-25(30-26)20-8-10-21(11-9-20)28(31)32/h4-17,30H,1-3H3,(H,31,32)/p-1" . "CC(=O)Nc1nc(c(s1)CN1CC[C@@H](C[C@@H]1C)OCc1noc(n1)C)F" . "C[C@H]1C[C@H](CCN1Cc1c(F)nc(NC(=O)C)s1)OCc1noc(C)n1" . "FRVXHWNHGWUTQO-CABZTGNLSA-N" . "InChI=1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/t9-,12-/m0/s1" . "F[C@@H](C(=O)N(NC(=O)[C@H](CC1(C)CC1)NC(=O)c1noc(c1)C(F)F)C[C@@H]1CCNC1=O)Cl" . "CC1(C[C@H](NC(=O)c2noc(c2)C(F)F)C(=O)NN(C[C@@H]2CCNC2=O)C(=O)[C@H](F)Cl)CC1" . "HZFDKBPTVOENNB-GAFUQQFSSA-N" . "InChI=1S/C19H23ClF3N5O5/c1-19(3-4-19)7-11(25-16(30)10-6-12(14(22)23)33-27-10)17(31)26-28(18(32)13(20)21)8-9-2-5-24-15(9)29/h6,9,11,13-14H,2-5,7-8H2,1H3,(H,24,29)(H,25,30)(H,26,31)/t9-,11-,13-/m0/s1" . "OC(=O)COc1cc(ccc1c1ncco1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC(C)C" . "CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc(c(cc1)c1ncco1)OCC(=O)O" . "ZMZNWNTZRWXTJU-UHFFFAOYSA-N" . "InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)" . "CCCOc1cc(ccc1OC)c1cncc(c1)[C@@H]1COB(C1)O" . "CCCOc1cc(ccc1OC)c1cncc(c1)[C@@H]1COB(O)C1" . "KXVKOYCGACSUPP-INIZCTEOSA-N" . "InChI=1S/C18H22BNO4/c1-3-6-23-18-8-13(4-5-17(18)22-2)14-7-15(11-20-10-14)16-9-19(21)24-12-16/h4-5,7-8,10-11,16,21H,3,6,9,12H2,1-2H3/t16-/m0/s1" . "OCCS(=O)(=O)Nc1ccc(c(c1)N1CCC2(CC1)CC2)C(=O)Nc1cc(C)nc(n1)N1CCC(CC1)(C)F" . "Cc1nc(nc(NC(=O)c2c(cc(NS(=O)(=O)CCO)cc2)N2CCC3(CC3)CC2)c1)N1CCC(C)(F)CC1" . "JFARSZKBZGPJGR-UHFFFAOYSA-N" . "InChI=1S/C27H37FN6O4S/c1-19-17-23(31-25(29-19)34-11-7-26(2,28)8-12-34)30-24(36)21-4-3-20(32-39(37,38)16-15-35)18-22(21)33-13-9-27(5-6-27)10-14-33/h3-4,17-18,32,35H,5-16H2,1-2H3,(H,29,30,31,36)" . "CO[C@@H]1CCN(C[C@@H]1F)c1nccc(n1)Nc1ncc2c(c1)c(ccc2N1C[C@@H]([C@H]1C)CS(=O)(=O)C)C(C)C" . "CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2ncc3c(ccc(C(C)C)c3c2)N2C[C@H](CS(=O)(=O)C)[C@H]2C)n1" . "LIMFPAAAIVQRRD-BCGVJQADSA-N" . "InChI=1S/C28H37FN6O3S/c1-17(2)20-6-7-24(35-14-19(18(35)3)16-39(5,36)37)22-13-31-27(12-21(20)22)32-26-8-10-30-28(33-26)34-11-9-25(38-4)23(29)15-34/h6-8,10,12-13,17-19,23,25H,9,11,14-16H2,1-5H3,(H,30,31,32,33)/t18-,19-,23+,25-/m1/s1" . "CNC(=O)c1ccc(c(n1)F)N1CCN(CC1)Cc1ccc2c(c1F)[nH]c(=O)c(n2)C" . "CNC(=O)c1nc(F)c(cc1)N1CCN(Cc2c(F)c3c(cc2)nc(C)c(=O)[nH]3)CC1" . "WXRCLFFPZXJCLS-UHFFFAOYSA-N" . "InChI=1S/C21H22F2N6O2/c1-12-20(30)27-18-14(25-12)4-3-13(17(18)22)11-28-7-9-29(10-8-28)16-6-5-15(21(31)24-2)26-19(16)23/h3-6H,7-11H2,1-2H3,(H,24,31)(H,27,30)" . "ONC(=O)c1cnc(nc1)N1CCC2(C1)CN(C2)Cc1cn(c2c1ccc(c2)C#N)C" . "ONC(=O)c1cnc(N2CC3(CN(Cc4cn(C)c5c4ccc(C#N)c5)C3)CC2)nc1" . "WBVFFDSDELAGSY-UHFFFAOYSA-N" . "InChI=1S/C22H23N7O2/c1-27-10-17(18-3-2-15(7-23)6-19(18)27)11-28-12-22(13-28)4-5-29(14-22)21-24-8-16(9-25-21)20(30)26-31/h2-3,6,8-10,31H,4-5,11-14H2,1H3,(H,26,30)" . "C[C@@H]1OCC[C@@H](C1)N1C(=O)C[C@@](N=C1N)(C)c1cccc(c1Cl)NC(=O)C12CC3(F)CC(C2)(CC(C1)(C3)F)F" . "C(=O)(Nc1c(Cl)c(ccc1)[C@]1(C)CC(=O)N(C(=N1)N)[C@@H]1C[C@H](C)OCC1)C12CC3(F)CC(F)(C1)CC(F)(C2)C3" . "ZLWNVCRHCYIPOK-VOMOGABFSA-N" . "InChI=1S/C28H34ClF3N4O3/c1-16-8-17(6-7-39-16)36-20(37)9-24(2,35-23(36)33)18-4-3-5-19(21(18)29)34-22(38)25-10-26(30)13-27(31,11-25)15-28(32,12-25)14-26/h3-5,16-17H,6-15H2,1-2H3,(H2,33,35)(H,34,38)/t16-,17-,24-,25?,26?,27?,28?/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1[nH]cnc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC)CCCN=C(N)N)Cc1ccc(cc1)O" . "CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC" . "BMVQKFSALBOKAG-YYTVJKPMSA-N" . "InChI=1S/C40H64N14O8/c1-23(2)33(53-36(59)27(49-32(56)21-45-3)9-6-16-47-40(43)44)38(61)51-29(18-24-11-13-26(55)14-12-24)37(60)50-28(8-4-5-15-41)35(58)52-30(19-25-20-46-22-48-25)39(62)54-17-7-10-31(54)34(42)57/h11-14,20,22-23,27-31,33,45,55H,4-10,15-19,21,41H2,1-3H3,(H2,42,57)(H,46,48)(H,49,56)(H,50,60)(H,51,61)(H,52,58)(H,53,59)(H4,43,44,47)/t27-,28-,29-,30-,31-,33-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)C)Cc1[nH]cnc1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC)CCCN=C(N)N)Cc1ccc(cc1)O" . "CC(C)C(C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CNC" . "QDAXGBOWJLPIHQ-UHFFFAOYSA-N" . "InChI=1S/C43H68N14O10/c1-24(2)35(56-37(61)29(52-34(59)22-47-4)10-7-17-49-43(45)46)40(64)54-31(19-26-12-14-28(58)15-13-26)38(62)53-30(9-5-6-16-44)36(60)55-32(20-27-21-48-23-50-27)41(65)57-18-8-11-33(57)39(63)51-25(3)42(66)67/h12-15,21,23-25,29-33,35,47,58H,5-11,16-20,22,44H2,1-4H3,(H,48,50)(H,51,63)(H,52,59)(H,53,62)(H,54,64)(H,55,60)(H,56,61)(H,66,67)(H4,45,46,49)" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@](C2)(C)O" . "CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@@H]2[C@@]1(CC[C@@](C2)(C)O)C)C" . "PGTVWKLGGCQMBR-FLBATMFCSA-N" . "InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1" . "COc1cc2ncnc(c2cc1OCCCNC(=O)CCCCCN(CCOc1ccc(cc1)/C(=C(/c1ccccc1)/CC)/c1ccc(cc1)O)C)Nc1ccc(c(c1)Cl)F" . "Clc1cc(Nc2c3c(cc(c(OCCCNC(=O)CCCCCN(C)CCOc4ccc(/C(=C(/c5ccccc5)/CC)/c5ccc(O)cc5)cc4)c3)OC)ncn2)ccc1F" . "RMOTTYOBLRRJDT-XXBDBSAUSA-N" . "InChI=1S/C49H53ClFN5O5/c1-4-40(34-12-7-5-8-13-34)48(35-15-20-38(57)21-16-35)36-17-22-39(23-18-36)60-29-27-56(2)26-10-6-9-14-47(58)52-25-11-28-61-46-31-41-44(32-45(46)59-3)53-33-54-49(41)55-37-19-24-43(51)42(50)30-37/h5,7-8,12-13,15-24,30-33,57H,4,6,9-11,14,25-29H2,1-3H3,(H,52,58)(H,53,54,55)/b48-40-" . "OCC(=O)N1CC[C@@H]([C@H](C1)F)n1c(C)nc2c1c1cc(c(cc1nc2)F)c1ccc(cc1Cl)Oc1ncccn1" . "Cc1nc2cnc3cc(c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)c1ccc(cc1Cl)Oc1ncccn1)F" . "WZZBNLYBHUDSHF-DHLKQENFSA-N" . "InChI=1S/C28H23ClF2N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25-/m0/s1" . "O=C1N[C@H](C(C)C)[C@@H]2N([C@H]1Cc1c2cccc1)C(=O)c1cc(NC2CCN(CC2)CC(F)(C)C)c2n(n1)c(C)nn2" . "Cc1nnc2n1nc(cc2NC1CCN(CC1)CC(C)(C)F)C(=O)N1[C@H]2Cc3ccccc3[C@@H]1[C@H](NC2=O)C(C)C" . "NGXAMXNWIHBLBN-JIMJEQGWSA-N" . "InChI=1S/C30H39FN8O2/c1-17(2)25-26-21-9-7-6-8-19(21)14-24(28(40)33-25)38(26)29(41)23-15-22(27-35-34-18(3)39(27)36-23)32-20-10-12-37(13-11-20)16-30(4,5)31/h6-9,15,17,20,24-26,32H,10-14,16H2,1-5H3,(H,33,40)/t24-,25+,26+/m0/s1" . "OC[C@H]1Cc2c([C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)cccc2c1cnn(c1)C" . "C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl" . "MJDOWJUPBHLXIH-GOEBONIOSA-N" . "InChI=1S/C23H23Cl2N3O2/c1-14-17-5-3-6-18(15-11-26-27(2)12-15)19(17)9-16(13-29)28(14)23(30)10-20-21(24)7-4-8-22(20)25/h3-8,11-12,14,16,29H,9-10,13H2,1-2H3/t14-,16+/m0/s1" . "CNCCc1ccccn1" . "CNCCc1ccccn1" . "UUQMNUMQCIQDMZ-UHFFFAOYSA-N" . "InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3" . "Cc1ccc(c(c1)c1ccc(cc1)[C@H](N(c1sc(c(n1)C(=O)NS(=O)(=O)C1CC1)C1CC1)CC1CC1)C)c1[nH]oc(=O)n1" . "C[C@@H](N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(s1)C1CC1)c1ccc(cc1)c1cc(C)ccc1c1nc(=O)o[nH]1" . "FQGLCYYIHLNVRG-GOSISDBHSA-N" . "InChI=1S/C31H33N5O5S2/c1-17-3-14-24(28-33-31(38)41-34-28)25(15-17)21-8-6-20(7-9-21)18(2)36(16-19-4-5-19)30-32-26(27(42-30)22-10-11-22)29(37)35-43(39,40)23-12-13-23/h3,6-9,14-15,18-19,22-23H,4-5,10-13,16H2,1-2H3,(H,35,37)(H,33,34,38)/t18-/m1/s1" . "O=C(c1ccnn(c1=O)c1ccccc1OCC(F)(F)F)Nc1ccc(cc1)C(O)(C)C" . "CC(C)(O)c1ccc(NC(=O)c2ccnn(c2=O)c2c(OCC(F)(F)F)cccc2)cc1" . "CQAPXPSWLDAVEG-UHFFFAOYSA-N" . "InChI=1S/C22H20F3N3O4/c1-21(2,31)14-7-9-15(10-8-14)27-19(29)16-11-12-26-28(20(16)30)17-5-3-4-6-18(17)32-13-22(23,24)25/h3-12,31H,13H2,1-2H3,(H,27,29)" . "OCCn1ncc(c1)Nc1ncc(cn1)OCc1c(F)c(OC)cc(c1F)OC" . "COc1cc(c(c(c1F)COc1cnc(nc1)Nc1cn(nc1)CCO)F)OC" . "VDZZYOJYLLNBTD-UHFFFAOYSA-N" . "InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)" . "COc1cc(F)ccc1c1ncnc(n1)Nc1cccc(c1)C[S@@](=O)(=N)C" . "COc1c(ccc(c1)F)c1nc(ncn1)Nc1cccc(c1)C[S@](=N)(=O)C" . "ACWKGTGIJRCOOM-HHHXNRCGSA-N" . "InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1" . "CCOP(=O)(Cn1ccc(n1)NC(=O)c1cc(cc(c1)OC(C)C)Oc1cnc(cn1)C(=O)N1CCC1)OCC" . "O=C(Nc1nn(CP(=O)(OCC)OCC)cc1)c1cc(OC(C)C)cc(Oc2cnc(C(=O)N3CCC3)cn2)c1" . "OYUDYQMFVRHPIY-UHFFFAOYSA-N" . "InChI=1S/C26H33N6O7P/c1-5-36-40(35,37-6-2)17-32-11-8-23(30-32)29-25(33)19-12-20(38-18(3)4)14-21(13-19)39-24-16-27-22(15-28-24)26(34)31-9-7-10-31/h8,11-16,18H,5-7,9-10,17H2,1-4H3,(H,29,30,33)" . "OC(=O)C(c1ccc(c(c1)O)O)O" . "OC(=O)C(c1ccc(c(c1)O)O)O" . "RGHMISIYKIHAJW-UHFFFAOYSA-N" . "InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)" . "CCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)N(C(=O)c1ccccc1)Cc1ccco1" . "CCCc1nc2c(cc(cc2)N(Cc2ccco2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1" . "SYDVEZUPFQXMSM-UHFFFAOYSA-N" . "InChI=1S/C37H31N7O3/c1-2-9-34-38-33-20-19-28(43(24-29-12-8-21-47-29)36(45)27-10-4-3-5-11-27)22-32(33)37(46)44(34)23-25-15-17-26(18-16-25)30-13-6-7-14-31(30)35-39-41-42-40-35/h3-8,10-22H,2,9,23-24H2,1H3,(H,39,40,41,42)" . "CCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)N(C(=O)c1cccs1)Cc1ccccc1" . "CCc1nc2c(cc(cc2)N(Cc2ccccc2)C(=O)c2cccs2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1" . "KDPHUUTUDFDLBT-UHFFFAOYSA-N" . "InChI=1S/C36H29N7O2S/c1-2-33-37-31-19-18-27(42(22-24-9-4-3-5-10-24)36(45)32-13-8-20-46-32)21-30(31)35(44)43(33)23-25-14-16-26(17-15-25)28-11-6-7-12-29(28)34-38-40-41-39-34/h3-21H,2,22-23H2,1H3,(H,38,39,40,41)" . "NCC1(O)CCN(CC1)c1nn2c(s1)ncc2c1ccc(nc1OC)C(C)C" . "COc1nc(ccc1c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C" . "JYHSRMKXBAPFST-UHFFFAOYSA-N" . "InChI=1S/C19H26N6O2S/c1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24/h4-5,10,12,26H,6-9,11,20H2,1-3H3" . "N#Cc1cc(ccc1F)NC(=O)[C@@H]1[C@@H](c2ccc(nc2)OC2CC2)N(CC(F)(F)F)C(=O)c2c1cccc2" . "C1CC1Oc1ncc(cc1)[C@@H]1[C@H](c2ccccc2C(=O)N1CC(F)(F)F)C(=O)Nc1cc(c(cc1)F)C#N" . "KYICPNWURYGJCB-BJKOFHAPSA-N" . "InChI=1S/C27H20F4N4O3/c28-21-9-6-17(11-16(21)12-32)34-25(36)23-19-3-1-2-4-20(19)26(37)35(14-27(29,30)31)24(23)15-5-10-22(33-13-15)38-18-7-8-18/h1-6,9-11,13,18,23-24H,7-8,14H2,(H,34,36)/t23-,24+/m0/s1" . "C[C@H](c1ccccc1c1[n]cc2c(c1)n(c[n]2)[C@@H](c1c(Cl)ccc(c1Cl)C1CC1)C)C(=O)O" . "OC(=O)[C@@H](c1c(c2[n]cc3[n]cn(c3c2)[C@@H](c2c(c(C3CC3)ccc2Cl)Cl)C)cccc1)C" . "JPJWHCNGSBCZMI-HUUCEWRRSA-N" . "InChI=1S/C26H23Cl2N3O2/c1-14(26(32)33)17-5-3-4-6-19(17)21-11-23-22(12-29-21)30-13-31(23)15(2)24-20(27)10-9-18(25(24)28)16-7-8-16/h3-6,9-16H,7-8H2,1-2H3,(H,32,33)/t14-,15-/m1/s1" . "O=C(c1cc(c(nc1N)N)n1cnc(n1)C1(CC1)C(F)(F)F)NCc1ccc(cc1)OCC(F)(F)F" . "Nc1c(C(=O)NCc2ccc(cc2)OCC(F)(F)F)cc(c(n1)N)n1nc(nc1)C1(CC1)C(F)(F)F" . "FIWILGQIZHDAQG-UHFFFAOYSA-N" . "InChI=1S/C21H19F6N7O2/c22-20(23,24)9-36-12-3-1-11(2-4-12)8-30-17(35)13-7-14(16(29)32-15(13)28)34-10-31-18(33-34)19(5-6-19)21(25,26)27/h1-4,7,10H,5-6,8-9H2,(H,30,35)(H4,28,29,32)" . "OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1ncnc2N" . "c1c(c2c([nH]1)c(ncn2)N)[C@H]1[C@@H]([C@@H]([C@H](N1)CO)O)O" . "AMFDITJFBUXZQN-KUBHLMPHSA-N" . "InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1" . "Oc1ccc(cc1)C1C2=C(CCCC2=O)Nc2n1nc(n2)c1ccccc1Cl" . "Clc1c(cccc1)c1nn2c(NC3=C(C(=O)CCC3)C2c2ccc(cc2)O)n1" . "USSMQJUVPNGHNK-UHFFFAOYSA-N" . "InChI=1S/C21H17ClN4O2/c22-15-5-2-1-4-14(15)20-24-21-23-16-6-3-7-17(28)18(16)19(26(21)25-20)12-8-10-13(27)11-9-12/h1-2,4-5,8-11,19,27H,3,6-7H2,(H,23,24,25)" . "OC(COc1ccc(c(c1)NS(=O)(=O)C)O)CNC(CCc1ccc(cc1)NS(=O)(=O)c1ccccc1)(C)C" . "CC(C)(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)NCC(O)COc1cc(NS(=O)(=O)C)c(O)cc1" . "CRHQDPKUNJKFEB-UHFFFAOYSA-N" . "InChI=1S/C27H35N3O7S2/c1-27(2,28-18-22(31)19-37-23-13-14-26(32)25(17-23)30-38(3,33)34)16-15-20-9-11-21(12-10-20)29-39(35,36)24-7-5-4-6-8-24/h4-14,17,22,28-32H,15-16,18-19H2,1-3H3" . "COC(=O)c1ccc(cc1)CCNC(=N)N/N=C/c1c[nH]c2c1cc(C#N)cc2C" . "C(#N)c1cc2c(c[nH]c2c(c1)C)/C=N/NC(=N)NCCc1ccc(C(=O)OC)cc1" . "XIVYUSRYHWXGLX-UVHMKAGCSA-N" . "InChI=1S/C22H22N6O2/c1-14-9-16(11-23)10-19-18(12-26-20(14)19)13-27-28-22(24)25-8-7-15-3-5-17(6-4-15)21(29)30-2/h3-6,9-10,12-13,26H,7-8H2,1-2H3,(H3,24,25,28)/b27-13+" . "OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cc(Cc2ccc(cc2)C2CC2)c(c2c1CCO2)Cl" . "OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2c1CCO2" . "KORCWPOBTZTAFI-YVTYUBGGSA-N" . "InChI=1S/C24H27ClO6/c25-19-15(9-12-1-3-13(4-2-12)14-5-6-14)10-17(16-7-8-30-23(16)19)24-22(29)21(28)20(27)18(11-26)31-24/h1-4,10,14,18,20-22,24,26-29H,5-9,11H2/t18-,20-,21+,22-,24+/m1/s1" . "C=CC(=O)N[C@H]1C=C(C)c2n(C1)c1ncnc(c1c2c1cnc2c(c1)cccc2)N" . "Nc1ncnc2c1c(c1C(=C[C@@H](Cn21)NC(=O)C=C)C)c1cnc2ccccc2c1" . "MKCYPWYURWOKST-INIZCTEOSA-N" . "InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2NCCC1CC2(C1)CN(C2)C[C@@H]1CC[C@H](CC1)c1sc2c(n1)cc(c(c2)NC(=O)c1cccc(n1)C(F)(F)F)C(O)(C)C" . "CC(C)(O)c1cc2c(sc(n2)[C@H]2CC[C@H](CN3CC4(CC(CCNc5c6C(=O)N(C7CCC(=O)NC7=O)C(=O)c6ccc5)C4)C3)CC2)cc1NC(=O)c1cccc(n1)C(F)(F)F" . "WDRJGMSUTPVXDH-KBOGUJPVSA-N" . "InChI=1S/C45H48F3N7O6S/c1-43(2,61)28-17-32-34(18-31(28)51-38(57)30-7-4-8-35(50-30)45(46,47)48)62-40(52-32)26-11-9-24(10-12-26)21-54-22-44(23-54)19-25(20-44)15-16-49-29-6-3-5-27-37(29)42(60)55(41(27)59)33-13-14-36(56)53-39(33)58/h3-8,17-18,24-26,33,49,61H,9-16,19-23H2,1-2H3,(H,51,57)(H,53,56,58)/t24-,26-,33?" . "O=C1NC2(C(=O)N1c1cncc3c1cccc3)CC(C2)c1ccccc1Cl" . "Clc1c(cccc1)C1CC2(C1)NC(=O)N(C2=O)c1c2ccccc2cnc1" . "XQFMLNUPNCXPRN-UHFFFAOYSA-N" . "InChI=1S/C21H16ClN3O2/c22-17-8-4-3-6-15(17)14-9-21(10-14)19(26)25(20(27)24-21)18-12-23-11-13-5-1-2-7-16(13)18/h1-8,11-12,14H,9-10H2,(H,24,27)" . "O=CCc1ccc(c(c1)O)O" . "O=CCc1ccc(c(c1)O)O" . "IADQVXRMSNIUEL-UHFFFAOYSA-N" . "InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2" . "OCc1cccc(c1)O[C@@H]1CC[C@H](CC1)C(=O)N(c1ccc(c(c1)C)CN1CCN[C@H](C1)C)C" . "C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1" . "XCVUPJBVKKACQB-KJOQGJGQSA-N" . "InChI=1S/C28H39N3O3/c1-20-15-25(10-7-24(20)18-31-14-13-29-21(2)17-31)30(3)28(33)23-8-11-26(12-9-23)34-27-6-4-5-22(16-27)19-32/h4-7,10,15-16,21,23,26,29,32H,8-9,11-14,17-19H2,1-3H3/t21-,23-,26-/m0/s1" . "O=C1OC[C@@H](C1)C(=O)N1CCC[C@@H](C1)OC(=O)c1ccc(cc1)O[C@H](c1ccc(cc1)C1CC1)[C@@H](NC(=O)[C@H]1CCCO1)C" . "C[C@H](NC(=O)[C@H]1CCCO1)[C@H](Oc1ccc(cc1)C(=O)O[C@H]1CCCN(C1)C(=O)[C@H]1COC(=O)C1)c1ccc(cc1)C1CC1" . "NADMBBGHEQYUMJ-WDXNIXBWSA-N" . "InChI=1S/C34H40N2O8/c1-21(35-32(38)29-5-3-17-41-29)31(24-10-8-23(9-11-24)22-6-7-22)43-27-14-12-25(13-15-27)34(40)44-28-4-2-16-36(19-28)33(39)26-18-30(37)42-20-26/h8-15,21-22,26,28-29,31H,2-7,16-20H2,1H3,(H,35,38)/t21-,26+,28-,29+,31-/m0/s1" . "OC(=O)Cc1c[nH]c2c1cc(O)cc2" . "c1cc2c(cc1O)c(c[nH]2)CC(=O)O" . "DUUGKQCEGZLZNO-UHFFFAOYSA-N" . "InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)" . "N#C[C@]1(O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)c1ccc2n1ncnc2N" . "c1c2c(ncnn2c(c1)[C@]1([C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N)N" . "DFVPCNAMNAPBCX-LTGWCKQJSA-N" . "InChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1" . "CCn1c(CO)nn(c1=O)c1cc(O[C@H](C(F)(F)F)C)c(cc1F)C(=O)Nc1c(F)cccc1Cl" . "CCn1c(nn(c1=O)c1c(cc(c(c1)O[C@@H](C)C(F)(F)F)C(=O)Nc1c(cccc1Cl)F)F)CO" . "KNVJMHHAXCPZHF-JTQLQIEISA-N" . "InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1" . "O1CCN(CC1)Cc1cccc(c1)Nc1ncc(c(n1)NCCc1c[nH]cn1)C1CC1" . "C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1" . "HZHDCONQUBRRDH-UHFFFAOYSA-N" . "InChI=1S/C23H29N7O/c1-2-17(15-30-8-10-31-11-9-30)12-19(3-1)28-23-26-14-21(18-4-5-18)22(29-23)25-7-6-20-13-24-16-27-20/h1-3,12-14,16,18H,4-11,15H2,(H,24,27)(H2,25,26,28,29)" . "O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCc1ccc(cc1)S(=O)(=O)N)Br" . "NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1" . "OEZHSZIDGUKBRK-UHFFFAOYSA-N" . "InChI=1S/C22H24BrN7O3S/c23-19-14-26-21(29-20(19)25-13-15-6-8-18(9-7-15)34(24,32)33)27-16-4-3-5-17(12-16)28-22(31)30-10-1-2-11-30/h3-9,12,14H,1-2,10-11,13H2,(H,28,31)(H2,24,32,33)(H2,25,26,27,29)" . "O=C(C1CCC1)NCCCNc1nc(ncc1Br)Nc1cn(nc1C)CC(F)(F)F" . "Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCCNC(=O)C2CCC2)n1" . "PJLYZTYJSMPZHT-UHFFFAOYSA-N" . "InChI=1S/C18H23BrF3N7O/c1-11-14(9-29(28-11)10-18(20,21)22)26-17-25-8-13(19)15(27-17)23-6-3-7-24-16(30)12-4-2-5-12/h8-9,12H,2-7,10H2,1H3,(H,24,30)(H2,23,25,26,27)" . "Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cccc(c1)CN1CCOCC1" . "NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1" . "RDROKTFULACVDQ-UHFFFAOYSA-N" . "InChI=1S/C22H25BrN6O3S/c23-20-14-26-22(27-18-3-1-2-17(12-18)15-29-8-10-32-11-9-29)28-21(20)25-13-16-4-6-19(7-5-16)33(24,30)31/h1-7,12,14H,8-11,13,15H2,(H2,24,30,31)(H2,25,26,27,28)" . "N#C[C@@H](NC(=O)[C@@H](n1ccc(c(c1=O)NCC(F)(F)F)C)CC1CC1)C[C@@H]1CCNC1=O" . "Cc1c(NCC(F)(F)F)c(=O)n(cc1)[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N" . "SYZOFRXZMALRGI-JYJNAYRXSA-N" . "InChI=1S/C21H26F3N5O3/c1-12-5-7-29(20(32)17(12)27-11-21(22,23)24)16(8-13-2-3-13)19(31)28-15(10-25)9-14-4-6-26-18(14)30/h5,7,13-16,27H,2-4,6,8-9,11H2,1H3,(H,26,30)(H,28,31)/t14-,15-,16-/m0/s1" . "O[C@H]1CCN(C1)c1nc(nc2c1nnn2Cc1nnnn1C)C(C)(C)C" . "C(C)(C)(C)c1nc(c2c(n1)n(nn2)Cc1nnnn1C)N1C[C@H](CC1)O" . "MAYZWDRUFKUGGP-VIFPVBQESA-N" . "InChI=1S/C15H22N10O/c1-15(2,3)14-16-12(24-6-5-9(26)7-24)11-13(17-14)25(21-19-11)8-10-18-20-22-23(10)4/h9,26H,5-8H2,1-4H3/t9-/m0/s1" . "O=C(c1cc(cnc1N)c1ccc(cc1)[C@@]12CN(C[C@H]2C1)C1CCOCC1)NC12CCC(CC1)(CC2)O" . "Nc1ncc(cc1C(=O)NC12CCC(CC1)(CC2)O)c1ccc(cc1)[C@]12CN(C[C@H]1C2)C1CCOCC1" . "KPRPFTOLWQQUAV-OCVAFRRMSA-N" . "InChI=1S/C30H38N4O3/c31-26-25(27(35)33-28-7-10-29(36,11-8-28)12-9-28)15-21(17-32-26)20-1-3-22(4-2-20)30-16-23(30)18-34(19-30)24-5-13-37-14-6-24/h1-4,15,17,23-24,36H,5-14,16,18-19H2,(H2,31,32)(H,33,35)/t23-,28?,29?,30+/m1/s1" . "Clc1ccccc1c1nc2c(C)n[nH]c2[nH]c2c1cnc(c2)N1CCOCC1" . "Clc1c(cccc1)c1c2c([nH]c3c(n1)c(n[nH]3)C)cc(nc2)N1CCOCC1" . "DQFCVOOFMXEPOC-UHFFFAOYSA-N" . "InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26)" . "CS(=O)(=O)N1CCC(CC1)c1ccc(cc1)c1nc(NC[C@@H]2CNCCO2)c2c(c1)nccn2" . "CS(=O)(=O)N1CCC(CC1)c1ccc(cc1)c1cc2c(nccn2)c(n1)NC[C@@H]1CNCCO1" . "NJIAKNWTIVDSDA-FQEVSTJZSA-N" . "InChI=1S/C24H30N6O3S/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)21-14-22-23(27-9-8-26-22)24(29-21)28-16-20-15-25-10-13-33-20/h2-5,8-9,14,18,20,25H,6-7,10-13,15-16H2,1H3,(H,28,29)/t20-/m0/s1" . "Cc1nc(N)nc(c1)c1nc(ccc1O)c1ccnc(c1F)N" . "Nc1nccc(c1F)c1nc(c(cc1)O)c1nc(nc(c1)C)N" . "UQHDKUFLWKTTDL-UHFFFAOYSA-N" . "InChI=1S/C15H13FN6O/c1-7-6-10(22-15(18)20-7)13-11(23)3-2-9(21-13)8-4-5-19-14(17)12(8)16/h2-6,23H,1H3,(H2,17,19)(H2,18,20,22)" . "OC(=O)/C=C/c1cccc2c1c(C)cn2C(=O)c1c(noc1C(F)(C)C)c1c(Cl)cc(cc1Cl)Cl" . "FC(C)(C)c1c(c(no1)c1c(cc(cc1Cl)Cl)Cl)C(=O)n1cc(c2c(cccc12)/C=C/C(=O)O)C" . "BOOMBLZEOHXPPX-BQYQJAHWSA-N" . "InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+" . "O=C(c1cnn(c1C(F)(F)F)c1cccc2c1cc[nH]c2=O)Nc1ccnc(c1)C(F)(F)F" . "O=c1[nH]ccc2c(cccc12)n1ncc(c1C(F)(F)F)C(=O)Nc1cc(ncc1)C(F)(F)F" . "APWRZPQBPCAXFP-UHFFFAOYSA-N" . "InChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)30-18(33)13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-17(12)32/h1-9H,(H,28,32)(H,27,30,33)" . "CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C[C@@H]1CC[C@H](CC1)NS(=O)(=O)CC)C(C)C" . "C(C)S(=O)(=O)N[C@@H]1CC[C@H](CC1)CN1CCC2(CN(C2)c2ncncc2Oc2c(C(=O)N(C(C)C)CC)cc(cc2)F)CC1" . "FRVSRBKUQZKTOW-YOCNBXQISA-N" . "InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-" . "N#CCC1(CN(C1)c1cc(F)c(cc1F)C(=O)N[C@H](C(F)(F)F)C)n1ncc(c1)c1c(C)n[nH]c1C" . "C(#N)CC1(CN(C1)c1cc(c(C(=O)N[C@H](C(F)(F)F)C)cc1F)F)n1ncc(c1)c1c(n[nH]c1C)C" . "MSGYSFWCPOBHEV-AWEZNQCLSA-N" . "InChI=1S/C23H22F5N7O/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33)/t14-/m0/s1" . "Fc1ccc(c(c1)[C@H]1CCCN1c1ccn2c(n1)c(cn2)n1ncc(c1)C(F)(F)F)F" . "Fc1c(cc(cc1)F)[C@@H]1N(CCC1)c1nc2n(cc1)ncc2n1ncc(c1)C(F)(F)F" . "FYPXPQSPRRZJCK-MRXNPFEDSA-N" . "InChI=1S/C20H15F5N6/c21-13-3-4-15(22)14(8-13)16-2-1-6-29(16)18-5-7-30-19(28-18)17(10-27-30)31-11-12(9-26-31)20(23,24)25/h3-5,7-11,16H,1-2,6H2/t16-/m1/s1" . "N#Cc1cc2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cc1)N1CCN(CC1)C" . "C1(CCCC1)n1c(=O)c(cc2c1nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C)C#N" . "VADOZMZXXRBXNY-UHFFFAOYSA-N" . "InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)" . "COc1nsc(n1)NC(=O)N1C[C@@H]2[C@H](C1)CC(C2)N(c1ncnc2c1cc[nH]2)C" . "CN(C1C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1nc(ns1)OC)c1ncnc2c1cc[nH]2" . "DNBCBAXDWNDRNO-FOSCPWQOSA-N" . "InChI=1S/C18H22N8O2S/c1-25(15-13-3-4-19-14(13)20-9-21-15)12-5-10-7-26(8-11(10)6-12)18(27)23-17-22-16(28-2)24-29-17/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)(H,22,23,24,27)/t10-,11+,12?" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC2(CC1)CCN(CC2)C" . "Clc1c(nc(nc1)Nc1c(cc(cc1)N1CCC2(CC1)CCN(CC2)C)OC)Nc1c(cccc1)P(=O)(C)C" . "ZPCCNHQDFZCULN-UHFFFAOYSA-N" . "InChI=1S/C29H38ClN6O2P/c1-35-15-11-29(12-16-35)13-17-36(18-14-29)21-9-10-23(25(19-21)38-2)33-28-31-20-22(30)27(34-28)32-24-7-5-6-8-26(24)39(3,4)37/h5-10,19-20H,11-18H2,1-4H3,(H2,31,32,33,34)" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1Cl)F)c1ccc2n(c1)c(=O)c(cn2)OCCN(C)C" . "Clc1c(ccc(c1)F)S(=O)(=O)Nc1c(ncc(c1)c1ccc2n(c(=O)c(cn2)OCCN(C)C)c1)OC" . "BXKBZQAZYOZHJY-UHFFFAOYSA-N" . "InChI=1S/C24H23ClFN5O5S/c1-30(2)8-9-36-20-13-27-22-7-4-15(14-31(22)24(20)32)16-10-19(23(35-3)28-12-16)29-37(33,34)21-6-5-17(26)11-18(21)25/h4-7,10-14,29H,8-9H2,1-3H3" . "COc1cc(ncc1c1cnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N)N1CCNC[C@@H]1C" . "Clc1c(c(ccc1F)Cl)[C@@H](C)Oc1cc(cnc1N)c1cnc(cc1OC)N1[C@H](CNCC1)C" . "BVGDAZBTIVRTGO-UONOGXRCSA-N" . "InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1" . "COc1ccc(c(c1O)OC)[C@@H]1COc2c(C1)ccc(c2OC)O" . "COc1c(O)c(OC)c(cc1)[C@@H]1COc2c(C1)ccc(O)c2OC" . "QVVPJFBYFYYVDM-NSHDSACASA-N" . "InChI=1S/C18H20O6/c1-21-14-7-5-12(17(22-2)15(14)20)11-8-10-4-6-13(19)18(23-3)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m0/s1" . "C[C@H]1CNC(=O)c2cnn3c2nc2C(Cc4c(O1)ncc(c4)F)[C@@H]1CCC[C@H]1Oc2c3" . "[C@@H]12CCC[C@H]1C1Cc3c(O[C@@H](C)CNC(=O)c4c5nc1c(O2)cn5nc4)ncc(F)c3" . "DQWACWSBFOTIDY-OUPFIFMPSA-N" . "InChI=1S/C22H22FN5O3/c1-11-7-24-21(29)16-9-26-28-10-18-19(27-20(16)28)15(14-3-2-4-17(14)31-18)6-12-5-13(23)8-25-22(12)30-11/h5,8-11,14-15,17H,2-4,6-7H2,1H3,(H,24,29)/t11-,14-,15?,17+/m0/s1" . "C#CCn1c(=O)n(c2c1cnc(n2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)F)CO" . "Nc1ncc2n(c(=O)n(c2n1)[C@H]1[C@H](O)[C@@H]([C@H](O1)CO)F)CC#C" . "NPRYCHLHHVWLQZ-TURQNECASA-N" . "InChI=1S/C13H14FN5O4/c1-2-3-18-6-4-16-12(15)17-10(6)19(13(18)22)11-9(21)8(14)7(5-20)23-11/h1,4,7-9,11,20-21H,3,5H2,(H2,15,16,17)/t7-,8-,9-,11-/m1/s1" . "Cc1cncc(c1)n1c(=O)[nH]/c(=N/c2cc3cn(nc3cc2Cl)C)/n(c1=O)Cc1cc(F)c(c(c1)F)F" . "Clc1c(cc2cn(nc2c1)C)/N=c/1/[nH]c(=O)n(c(=O)n1Cc1cc(c(c(c1)F)F)F)c1cncc(c1)C" . "FTIFIZZEWIBTMR-UHFFFAOYSA-N" . "InChI=1S/C24H17ClF3N7O2/c1-12-3-15(9-29-8-12)35-23(36)31-22(30-20-6-14-11-33(2)32-19(14)7-16(20)25)34(24(35)37)10-13-4-17(26)21(28)18(27)5-13/h3-9,11H,10H2,1-2H3,(H,30,31,36)" . "CCN1Cc2c(ccc(c2C#N)F)O[C@@H](C)CNC(=O)c2c3nc1ccn3nc2N" . "CCN1Cc2c(ccc(c2C#N)F)O[C@H](CNC(=O)c2c3nc1ccn3nc2N)C" . "UUDPUQDMSHQSKH-NSHDSACASA-N" . "InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1" . "O=C(c1n[nH]c(c1C)C)Nc1cnc2c(c1)cc([nH]2)c1ccccc1" . "Cc1c([nH]nc1C(=O)Nc1cnc2c(c1)cc([nH]2)c1ccccc1)C" . "NVSHVYGIYPBTEZ-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)" . "CNS(=O)(=O)Nc1nccc(c1F)Cc1c(=O)oc2c(c1C)ccc(c2)Oc1ncccn1" . "Fc1c(nccc1Cc1c(=O)oc2c(c1C)ccc(c2)Oc1ncccn1)NS(=O)(=O)NC" . "LMMJFBMMJUMSJS-UHFFFAOYSA-N" . "InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)" . "CNc1nc(cn2c1nnc2C)c1nc2c(n1Cc1ccccc1)cc(cc2)N1CCN(CC1)C" . "C(c1ccccc1)n1c(nc2c1cc(cc2)N1CCN(CC1)C)c1nc(c2n(c1)c(nn2)C)NC" . "JLUUVUUYIXBDCG-UHFFFAOYSA-N" . "InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)" . "COc1cc2c(cc1OC)CCn1c2cc(=Nc2c(C)cc(cc2C)C)n(c1=O)CCNC(=O)N" . "Cc1cc(c(c(c1)C)N=c1cc2c3cc(c(cc3CCn2c(=O)n1CCNC(=O)N)OC)OC)C" . "CSOBIBXVIYAXFM-UHFFFAOYSA-N" . "InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)" . "FC(Oc1ccc(cc1)c1c[nH]c(n1)C(N)(C)C)(F)F" . "CC(C)(c1[nH]cc(n1)c1ccc(cc1)OC(F)(F)F)N" . "AGORGFNWYAUYSU-UHFFFAOYSA-N" . "InChI=1S/C13H14F3N3O/c1-12(2,17)11-18-7-10(19-11)8-3-5-9(6-4-8)20-13(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)" . "CNC(=O)c1ccc(cc1)c1cnc2n1cc(nc2)C(=O)N(c1ccc(cc1)Cl)C" . "CNC(=O)c1ccc(cc1)c1cnc2n1cc(nc2)C(=O)N(C)c1ccc(cc1)Cl" . "TYMFFISSODJRDV-UHFFFAOYSA-N" . "InChI=1S/C22H18ClN5O2/c1-24-21(29)15-5-3-14(4-6-15)19-11-26-20-12-25-18(13-28(19)20)22(30)27(2)17-9-7-16(23)8-10-17/h3-13H,1-2H3,(H,24,29)" . "O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)C(=O)C" . "[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(cc3)C(=O)C" . "LURXOLBKAUTYIC-SLHNCBLASA-N" . "InChI=1S/C20H26O2/c1-12(21)13-3-5-15-14(11-13)4-6-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h3,5,11,16-19,22H,4,6-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1" . "C=Cc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(C=C)cc3" . "YVQVEUUGNXBURX-SLHNCBLASA-N" . "InChI=1S/C20H26O/c1-3-13-4-6-15-14(12-13)5-7-17-16(15)10-11-20(2)18(17)8-9-19(20)21/h3-4,6,12,16-19,21H,1,5,7-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1" . "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(OC)cc3" . "ULAADVBNYHGIBP-GFEQUFNTSA-N" . "InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1" . "O=c1[nH]c(=O)[nH]c(c1)C(=O)O" . "O=c1[nH]c(=O)[nH]c(c1)C(=O)O" . "PXQPEWDEAKTCGB-UHFFFAOYSA-N" . "InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)" . "O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC([2H])([2H])[2H]" . "C([2H])([2H])([2H])NC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1cc(c(cc1)Cl)C(F)(F)F" . "MLDQJTXFUGDVEO-FIBGUPNXSA-N" . "InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3" . "COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C" . "CN1CCc2cc(c3cc2[C@@H]1Cc1ccc(cc1)Oc1c(ccc(c1)C[C@H]1c2c(O3)c(c(cc2CCN1C)OC)OC)OC)OC" . "WVTKBKWTSCPRNU-KYJUHHDHSA-N" . "InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1" . "COc1cc2CCN(C(c2cc1Oc1ccccc1)Cc1ccc(cc1)Oc1ccccc1)C" . "COc1cc2c(cc1Oc1ccccc1)C(Cc1ccc(Oc3ccccc3)cc1)N(C)CC2" . "BTNHPUSFPKFAPU-UHFFFAOYSA-N" . "InChI=1S/C30H29NO3/c1-31-18-17-23-20-29(32-2)30(34-25-11-7-4-8-12-25)21-27(23)28(31)19-22-13-15-26(16-14-22)33-24-9-5-3-6-10-24/h3-16,20-21,28H,17-19H2,1-2H3" . "COc1cc2CCN(C(c2cc1OCc1ccccc1)Cc1ccc(cc1)OCc1ccccc1)C" . "COc1cc2c(cc1OCc1ccccc1)C(Cc1ccc(OCc3ccccc3)cc1)N(C)CC2" . "HZBGXMAYXSMTBE-UHFFFAOYSA-N" . "InChI=1S/C32H33NO3/c1-33-18-17-27-20-31(34-2)32(36-23-26-11-7-4-8-12-26)21-29(27)30(33)19-24-13-15-28(16-14-24)35-22-25-9-5-3-6-10-25/h3-16,20-21,30H,17-19,22-23H2,1-2H3" . "S=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "c1cc(c(cc1Br)c1n[nH]nn1)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "MDKAFDIKYQMOMF-UHFFFAOYSA-N" . "InChI=1S/C16H9BrF6N6S/c17-9-1-2-12(11(6-9)13-26-28-29-27-13)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)" . "NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1ccc2c(c1)cccc2)NC(=O)[C@@H]1C/C=C/C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(C)C)CCCNC(=N)N" . "N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C/C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1ccc2ccccc2c1" . "IIVCDBIBOGOXBU-NXDMJTDOSA-N" . "InChI=1S/C49H73N13O11/c1-28(2)23-36-45(69)61-38(27-63)46(70)58-34(14-6-5-13-32(51)41(65)56-35(44(68)59-36)16-9-21-54-49(52)53)43(67)57-33(15-7-8-20-50)42(66)55-26-40(64)62-22-10-17-39(62)47(71)60-37(48(72)73)25-29-18-19-30-11-3-4-12-31(30)24-29/h3-6,11-12,18-19,24,28,32-39,63H,7-10,13-17,20-23,25-27,50-51H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,58,70)(H,59,68)(H,60,71)(H,61,69)(H,72,73)(H4,52,53,54)/b6-5-/t32-,33-,34-,35-,36-,37+,38-,39-/m0/s1" . "NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1cccc2c1cccc2)NC(=O)[C@@H]1C/C=C/C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(C)C)CCCNC(=N)N" . "N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C/C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1c2ccccc2ccc1" . "VXVNSDXGZQXERO-NXDMJTDOSA-N" . "InChI=1S/C49H73N13O11/c1-28(2)24-36-45(69)61-38(27-63)46(70)58-34(17-6-5-16-32(51)41(65)56-35(44(68)59-36)19-10-22-54-49(52)53)43(67)57-33(18-7-8-21-50)42(66)55-26-40(64)62-23-11-20-39(62)47(71)60-37(48(72)73)25-30-14-9-13-29-12-3-4-15-31(29)30/h3-6,9,12-15,28,32-39,63H,7-8,10-11,16-27,50-51H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,58,70)(H,59,68)(H,60,71)(H,61,69)(H,72,73)(H4,52,53,54)/b6-5-/t32-,33-,34-,35-,36-,37+,38-,39-/m0/s1" . "Fc1ccc(c(c1)OCCc1c(C)nn(c1C)C)c1ccc2c(c1)c(CN(C)C)nn2C" . "Cc1c(c(nn1C)C)CCOc1c(ccc(c1)F)c1cc2c(cc1)n(nc2CN(C)C)C" . "YEOAAQMCKFJWKF-UHFFFAOYSA-N" . "InChI=1S/C25H30FN5O/c1-16-20(17(2)30(5)27-16)11-12-32-25-14-19(26)8-9-21(25)18-7-10-24-22(13-18)23(15-29(3)4)28-31(24)6/h7-10,13-14H,11-12,15H2,1-6H3" . "Brc1ccc(c(c1)c1cc(c(n1CC1CCCCC1)C)C(=O)O)OC(F)(F)F" . "Cc1c(cc(n1CC1CCCCC1)c1c(OC(F)(F)F)ccc(Br)c1)C(=O)O" . "INDFMVADKKBSSU-UHFFFAOYSA-N" . "InChI=1S/C20H21BrF3NO3/c1-12-15(19(26)27)10-17(25(12)11-13-5-3-2-4-6-13)16-9-14(21)7-8-18(16)28-20(22,23)24/h7-10,13H,2-6,11H2,1H3,(H,26,27)" . "N#C/C(=C(/c1cc(Cl)cc(c1)Cl)/O)/C(=O)Nc1ccc(cc1)C(F)(F)F" . "O/C(=C(/C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/c1cc(Cl)cc(Cl)c1" . "FVJSEJNZNQVVDZ-CCEZHUSRSA-N" . "InChI=1S/C17H9Cl2F3N2O2/c18-11-5-9(6-12(19)7-11)15(25)14(8-23)16(26)24-13-3-1-10(2-4-13)17(20,21)22/h1-7,25H,(H,24,26)/b15-14+" . "Cc1cc(C)cc(c1C1=NOC2C1CCCO2)C" . "Cc1cc(C)c(C2=NOC3OCCCC23)c(C)c1" . "PDQSLEUINSEJHR-UHFFFAOYSA-N" . "InChI=1S/C15H19NO2/c1-9-7-10(2)13(11(3)8-9)14-12-5-4-6-17-15(12)18-16-14/h7-8,12,15H,4-6H2,1-3H3" . "O=C(N1c2ccccc2C(CC1(C)C)C)CN1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl" . "CC1CC(C)(C)N(C(=O)CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)c2ccccc12" . "JSVBOFDROKCPIA-UHFFFAOYSA-N" . "InChI=1S/C22H18Cl4N2O3/c1-10-8-22(2,3)28(12-7-5-4-6-11(10)12)13(29)9-27-20(30)14-15(21(27)31)17(24)19(26)18(25)16(14)23/h4-7,10H,8-9H2,1-3H3" . "COC(=O)NC12CCC(CC1)(CC2)n1cc(c2c1ncnc2N)c1cc(N)c(cc1F)Cl" . "Nc1c2c(ncn1)n(cc2c1c(cc(c(c1)N)Cl)F)C12CCC(CC1)(CC2)NC(=O)OC" . "FJTQBVRKZLEDPK-UHFFFAOYSA-N" . "InChI=1S/C22H24ClFN6O2/c1-32-20(31)29-21-2-5-22(6-3-21,7-4-21)30-10-13(17-18(26)27-11-28-19(17)30)12-8-16(25)14(23)9-15(12)24/h8-11H,2-7,25H2,1H3,(H,29,31)(H2,26,27,28)" . "Clc1ccc2c(c1Cl)CNCCC2" . "Clc1ccc2c(c1Cl)CNCCC2" . "IADAQXMUWITWNG-UHFFFAOYSA-N" . "InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2" . "O[C@@H]1C(Oc2cc(C(F)F)c(c3c2CNCC3)F)C[C@H]([C@@H]1O)n1ccc2c1ncnc2C" . "Cc1c2ccn([C@@H]3CC(Oc4c5CNCCc5c(F)c(c4)C(F)F)[C@@H](O)[C@H]3O)c2ncn1" . "HBGHQRGHFNTSDP-DGJRPJRTSA-N" . "InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17?,19+,20-/m1/s1" . "C[C@@H]1COCCN1c1nn2c(c1)C(=O)N[C@@H]1[C@H]2CCC1" . "C[C@@H]1COCCN1c1nn2[C@@H]3CCC[C@@H]3NC(=O)c2c1" . "LQBRZKIUSVUXJP-OUAUKWLOSA-N" . "InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1" . "CCOCCOC[C@H]1CCCN(C1)c1ccnc2c1c(N)c(s2)C(=O)N" . "Nc1c(sc2nccc(c12)N1C[C@H](CCC1)COCCOCC)C(=O)N" . "GOAKYBVMJUXOFY-LBPRGKRZSA-N" . "InChI=1S/C18H26N4O3S/c1-2-24-8-9-25-11-12-4-3-7-22(10-12)13-5-6-21-18-14(13)15(19)16(26-18)17(20)23/h5-6,12H,2-4,7-11,19H2,1H3,(H2,20,23)/t12-/m0/s1" . "N#Cc1ccc2c(c1P(=O)(C)C)[nH]cc2c1nc(ncc1C(F)(F)F)N[C@H]1CCC(NC1)(C)C" . "CC1(C)CC[C@H](Nc2ncc(c(c3c[nH]c4c3ccc(C#N)c4P(=O)(C)C)n2)C(F)(F)F)CN1" . "JDJOUBVVSQDIRC-AWEZNQCLSA-N" . "InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1" . "N#C[C@]1(O[C@@H]([C@H]([C@H]1OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C(C)C)c1ccc2n1ncnc2N" . "CC(C)C(=O)OC[C@H]1O[C@](C#N)([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)c1ccc2n1ncnc2N" . "RVSSLHFYCSUAHY-JQGROFRJSA-N" . "InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1" . "COCCCC1CCC(CC1)Oc1nc(N2CCC3(CC2)CN(C3)C(=O)C=C)c2c(n1)c(OCC(F)(F)F)c(c(c2)C1CC1)c1c(C)ccc2c1cn[nH]2" . "COCCCC1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(C3CC3)c(c(OCC(F)(F)F)c2n1)c1c2cn[nH]c2ccc1C" . "YNLGBBXDUCMNPY-UHFFFAOYSA-N" . "InChI=1S/C41H49F3N6O4/c1-4-33(51)50-22-40(23-50)15-17-49(18-16-40)38-30-20-29(27-10-11-27)35(34-25(2)7-14-32-31(34)21-45-48-32)37(53-24-41(42,43)44)36(30)46-39(47-38)54-28-12-8-26(9-13-28)6-5-19-52-3/h4,7,14,20-21,26-28H,1,5-6,8-13,15-19,22-24H2,2-3H3,(H,45,48)" . "CCOCc1[nH]c(=O)c(c(c1c1c(OC)cccc1OC)O)c1nnc(o1)Cc1ccc(cn1)Cl" . "CCOCc1c(c(c(c(=O)[nH]1)c1nnc(o1)Cc1ncc(cc1)Cl)O)c1c(cccc1OC)OC" . "AGZKELPIAJYRDT-UHFFFAOYSA-N" . "InChI=1S/C24H23ClN4O6/c1-4-34-12-15-19(20-16(32-2)6-5-7-17(20)33-3)22(30)21(23(31)27-15)24-29-28-18(35-24)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H2,27,30,31)" . "CCCCc1nc(=O)c(c(n1c1c(OC)cccc1OC)O)C(=O)N1CC[C@H](C1)c1ccc(cn1)Cl" . "C(CCC)c1n(c(c(c(=O)n1)C(=O)N1C[C@@H](CC1)c1ncc(cc1)Cl)O)c1c(cccc1OC)OC" . "KSQCOKRJNWPXJJ-MRXNPFEDSA-N" . "InChI=1S/C26H29ClN4O5/c1-4-5-9-21-29-24(32)22(26(34)31(21)23-19(35-2)7-6-8-20(23)36-3)25(33)30-13-12-16(15-30)18-11-10-17(27)14-28-18/h6-8,10-11,14,16,34H,4-5,9,12-13,15H2,1-3H3/t16-/m1/s1" . "CCc1cccc(c1n1c(O)c(c(=O)nc1c1ccn(n1)C)C(=O)N1CC[C@H](C1)c1ncc(cc1F)Cl)CC" . "CCc1cccc(CC)c1n1c(O)c(c(=O)nc1c1nn(cc1)C)C(=O)N1CC[C@@H](c2ncc(cc2F)Cl)C1" . "BFXUALMCVABIFZ-GOSISDBHSA-N" . "InChI=1S/C28H28ClFN6O3/c1-4-16-7-6-8-17(5-2)24(16)36-25(21-10-11-34(3)33-21)32-26(37)22(28(36)39)27(38)35-12-9-18(15-35)23-20(30)13-19(29)14-31-23/h6-8,10-11,13-14,18,39H,4-5,9,12,15H2,1-3H3/t18-/m1/s1" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OC(c1ccccc1)([2H])[2H])CC(C)C)C[C@@H]1CCNC1=O" . "c1(ccccc1)C([2H])([2H])OC(=O)N[C@H](C(=O)N[C@H](C=O)C[C@H]1C(=O)NCC1)CC(C)C" . "QYENXTYKACLCGO-UIWACHPISA-N" . "InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1/i13D2" . "[Na]OS(=O)(=O)C([C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)OC(c1ccccc1)C1CCC(CC1)(F)F)CC(C)C)O" . "O=C(N[C@H](C(=O)N[C@H](C(S(=O)(=O)O[Na])O)C[C@H]1C(=O)NCC1)CC(C)C)OC(C1CCC(F)(F)CC1)c1ccccc1" . "DVWOYOSIEJRHKW-UIRZNSHLSA-M" . "InChI=1S/C27H39F2N3O8S.Na/c1-16(2)14-20(24(34)31-21(25(35)41(37,38)39)15-19-10-13-30-23(19)33)32-26(36)40-22(17-6-4-3-5-7-17)18-8-11-27(28,29)12-9-18;/h3-7,16,18-22,25,35H,8-15H2,1-2H3,(H,30,33)(H,31,34)(H,32,36)(H,37,38,39);/q;+1/p-1/t19-,20-,21-,22?,25?;/m0./s1" . "Fc1ccc(cc1)CN1CCOc2c(C1=O)ccc(c2)c1cnc2c(c1)cc[nH]2" . "O=C1c2ccc(c3cc4cc[nH]c4nc3)cc2OCCN1Cc1ccc(F)cc1" . "UVLOISNMRLZTPF-UHFFFAOYSA-N" . "InChI=1S/C23H18FN3O2/c24-19-4-1-15(2-5-19)14-27-9-10-29-21-12-16(3-6-20(21)23(27)28)18-11-17-7-8-25-22(17)26-13-18/h1-8,11-13H,9-10,14H2,(H,25,26)" . "CCCCOc1nc2ccccc2c(c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)n1cnc(c1)C" . "O=C(c1cc(OCCCC)nc2c1cccc2)Nc1cc(C(F)(F)F)cc(n2cc(C)nc2)c1" . "RTKBIHCZDFXHLC-UHFFFAOYSA-N" . "InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)" . "Clc1ccc(c(c1)Cl)[C@@]1(OC[C@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1" . "CC(=O)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](O1)(Cn1ccnc1)c1c(cc(cc1)Cl)Cl" . "XMAYWYJOQHXEEK-ZEQKJWHPSA-N" . "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1" . "OC(=O)CNC(=O)c1c(=O)cc(n2c1nc[nH]2)CCc1ccccc1" . "c1ccc(cc1)CCc1cc(=O)c(c2n1[nH]cn2)C(=O)NCC(=O)O" . "FJYRBJKWDXVHHO-UHFFFAOYSA-N" . "InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)" . "Clc1ccc(c(c1)Cl)C(=O)Cn1cnc2c1ncnc2Cl" . "Clc1c2ncn(c2ncn1)CC(=O)c1c(cc(cc1)Cl)Cl" . "NLRGSGVPLHCTPK-UHFFFAOYSA-N" . "InChI=1S/C13H7Cl3N4O/c14-7-1-2-8(9(15)3-7)10(21)4-20-6-19-11-12(16)17-5-18-13(11)20/h1-3,5-6H,4H2" . "FC(Oc1ccc(cc1)c1nnc2n1c(OCCc1ccccc1)cnc2)F" . "FC(F)Oc1ccc(cc1)c1nnc2cncc(OCCc3ccccc3)n12" . "AVBCIJLYABLIRW-UHFFFAOYSA-N" . "InChI=1S/C20H16F2N4O2/c21-20(22)28-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)27-11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2" . "OC(c1ccc(c(c1)F)F)COc1cncc2n1c(nn2)c1ccc(cc1)OC(C)(C)C" . "CC(C)(C)Oc1ccc(cc1)c1nnc2cncc(OCC(O)c3cc(F)c(F)cc3)n12" . "YXNHLRADFLNVIV-UHFFFAOYSA-N" . "InChI=1S/C23H22F2N4O3/c1-23(2,3)32-16-7-4-14(5-8-16)22-28-27-20-11-26-12-21(29(20)22)31-13-19(30)15-6-9-17(24)18(25)10-15/h4-12,19,30H,13H2,1-3H3" . "O=C(Nc1cnc(s1)c1ccc(cc1F)F)CCCN1CCOCCC1" . "Fc1ccc(c2ncc(NC(=O)CCCN3CCCOCC3)s2)c(F)c1" . "RPGKIKHEBZDURC-UHFFFAOYSA-N" . "InChI=1S/C18H21F2N3O2S/c19-13-4-5-14(15(20)11-13)18-21-12-17(26-18)22-16(24)3-1-6-23-7-2-9-25-10-8-23/h4-5,11-12H,1-3,6-10H2,(H,22,24)" . "Clc1ccc(cc1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1ccc(cc1)C(=O)NC1CC1" . "Clc1ccc(cc1)c1ccc2ncc3c(n(c(=O)cc3)c3ccc(cc3)C(=O)NC3CC3)c2c1" . "VPSFQPBONOUNSO-UHFFFAOYSA-N" . "InChI=1S/C28H20ClN3O2/c29-21-7-1-17(2-8-21)19-5-13-25-24(15-19)27-20(16-30-25)6-14-26(33)32(27)23-11-3-18(4-12-23)28(34)31-22-9-10-22/h1-8,11-16,22H,9-10H2,(H,31,34)" . "O=C(NC1CC(C)(C)NC(C1)(C)C)COc1ccc(cc1Br)C(C)C" . "CC(C)c1cc(Br)c(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1" . "OTTDLWFVHQYRDA-UHFFFAOYSA-N" . "InChI=1S/C20H31BrN2O2/c1-13(2)14-7-8-17(16(21)9-14)25-12-18(24)22-15-10-19(3,4)23-20(5,6)11-15/h7-9,13,15,23H,10-12H2,1-6H3,(H,22,24)" . "O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O" . "Oc1cc(cc(O)c1O)C(=O)OC[C@@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1" . "QJYNZEYHSMRWBK-LOMPCTGFSA-N" . "InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34-,35+,41-/m0/s1" . "FC(Oc1ccc(cc1)C(=O)CSc1nnc(s1)Nc1ccccc1F)F" . "FC(F)Oc1ccc(cc1)C(=O)CSc1nnc(Nc2c(F)cccc2)s1" . "IMTBFONQRNCXSE-UHFFFAOYSA-N" . "InChI=1S/C17H12F3N3O2S2/c18-12-3-1-2-4-13(12)21-16-22-23-17(27-16)26-9-14(24)10-5-7-11(8-6-10)25-15(19)20/h1-8,15H,9H2,(H,21,22)" . "O[C@@H]1CC[C@@H]2[C@@H](C1)c1c(N[C@H]2C)cc(cc1OC(=O)C)O[C@@H](CCCc1ccccc1)C" . "C[C@H]1[C@@H]2CC[C@H](C[C@H]2c2c(N1)cc(cc2OC(=O)C)O[C@H](C)CCCc1ccccc1)O" . "FFVXQGMUHIJQAO-BFKQJKLPSA-N" . "InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1" . "O=C(Oc1ccc(c(c1)c1cccc(c1)C(=O)N)O)NC1CCCCC1" . "C1CCC(CC1)NC(=O)Oc1cc(c(cc1)O)c1cc(ccc1)C(=O)N" . "CMEQHOXCIGFZNJ-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)" . "Clc1ccc(c(c1)N1CC2CCC(C1)O2)CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F" . "O=C(N1CCN(Cc2ccc(Cl)cc2N2CC3OC(CC3)C2)CC1)OC(C(F)(F)F)C(F)(F)F" . "CXSFVTMRWPSLGO-UHFFFAOYSA-N" . "InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2" . "CNC(=O)COC(=O)N1CCC(CC1)CCc1ccc(cc1)Cl" . "Clc1ccc(cc1)CCC1CCN(C(=O)OCC(=O)NC)CC1" . "JFSSVCSHPDLFCM-UHFFFAOYSA-N" . "InChI=1S/C17H23ClN2O3/c1-19-16(21)12-23-17(22)20-10-8-14(9-11-20)3-2-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,21)" . "CSC1O[C@@H]([C@@H]([C@@H](Cl)C)NC(=O)[C@H]2NC[C@H]3[C@H]2OCC[C@H](C3)CC(C)C)C([C@H]([C@H]1O)O)O" . "[C@H]12CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]3OC(SC)[C@H](O)[C@H](O)C3O)[C@@H]1OCC[C@@H](CC(C)C)C2" . "JPCLUJPDWMBCAA-ALYUFWCISA-N" . "InChI=1S/C22H39ClN2O6S/c1-10(2)7-12-5-6-30-19-13(8-12)9-24-15(19)21(29)25-14(11(3)23)20-17(27)16(26)18(28)22(31-20)32-4/h10-20,22,24,26-28H,5-9H2,1-4H3,(H,25,29)/t11-,12-,13-,14+,15-,16+,17?,18+,19+,20-,22?/m0/s1" . "NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)N" . "c1ccc(cc1)C[C@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)N" . "MGSNWNLPMHXGDD-DFWOJPNQSA-N" . "InChI=1S/C49H63N13O6/c50-20-10-8-18-39(44(53)63)58-47(66)41(22-30-12-2-1-3-13-30)61-49(68)43(24-32-27-56-38-17-7-5-15-35(32)38)62-46(65)40(19-9-11-21-51)59-48(67)42(23-31-26-55-37-16-6-4-14-34(31)37)60-45(64)36(52)25-33-28-54-29-57-33/h1-7,12-17,26-29,36,39-43,55-56H,8-11,18-25,50-52H2,(H2,53,63)(H,54,57)(H,58,66)(H,59,67)(H,60,64)(H,61,68)(H,62,65)/t36-,39-,40+,41+,42+,43-/m0/s1" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C" . "CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)N(C)C(C)C)O)C)C)C)O)(C)O" . "FPBKIOZMKHHNLL-CBUZSSJJSA-N" . "InChI=1S/C39H69NO12/c1-15-27-39(12,45)32(42)22(6)30-20(4)17-38(11,52-30)34(51-36-29(41)26(16-21(5)47-36)40(13)19(2)3)23(7)31(24(8)35(44)49-27)50-28-18-37(10,46-14)33(43)25(9)48-28/h19,21-29,31-34,36,41-43,45H,15-18H2,1-14H3/t21-,22+,23+,24-,25+,26+,27-,28+,29-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1" . "Cn1c2ccsc2c(=O)n(c2c1nc(nc2)Nc1ccc(cc1)S(=O)(=O)N)C" . "Cn1c2c(scc2)c(=O)n(C)c2c1nc(Nc1ccc(cc1)S(=O)(=O)N)nc2" . "YRDHKIFCGOZTGD-UHFFFAOYSA-N" . "InChI=1S/C17H16N6O3S2/c1-22-12-7-8-27-14(12)16(24)23(2)13-9-19-17(21-15(13)22)20-10-3-5-11(6-4-10)28(18,25)26/h3-9H,1-2H3,(H2,18,25,26)(H,19,20,21)" . "CC(=O)NC1CCN(CC1)c1ncnc2c1c(c[nH]2)c1cccc(c1)Cl" . "Clc1cccc(c2c[nH]c3ncnc(N4CCC(NC(=O)C)CC4)c23)c1" . "AYRVYPOFYQSRNH-UHFFFAOYSA-N" . "InChI=1S/C19H20ClN5O/c1-12(26)24-15-5-7-25(8-6-15)19-17-16(10-21-18(17)22-11-23-19)13-3-2-4-14(20)9-13/h2-4,9-11,15H,5-8H2,1H3,(H,24,26)(H,21,22,23)" . "O=C(NS(=O)(=O)c1cccc(c1)C(O)(C)C)Nc1c(cc(cc1C(C)C)Cl)C(C)C" . "CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc(c1)C(C)(C)O" . "YRSBLSHMKVQWHP-UHFFFAOYSA-N" . "InChI=1S/C22H29ClN2O4S/c1-13(2)18-11-16(23)12-19(14(3)4)20(18)24-21(26)25-30(28,29)17-9-7-8-15(10-17)22(5,6)27/h7-14,27H,1-6H3,(H2,24,25,26)" . "O=C(NS(=O)(=O)c1cccc(c1)C(C)C)Nc1c(cc(cc1C(C)C)Cl)C(C)C" . "CC(C)c1cc(ccc1)S(=O)(=O)NC(=O)Nc1c(cc(Cl)cc1C(C)C)C(C)C" . "ZKEBNWAADHAYQJ-UHFFFAOYSA-N" . "InChI=1S/C22H29ClN2O3S/c1-13(2)16-8-7-9-18(10-16)29(27,28)25-22(26)24-21-19(14(3)4)11-17(23)12-20(21)15(5)6/h7-15H,1-6H3,(H2,24,25,26)" . "N#Cc1ccc2c(c1)c(C[NH+]1CCC3(C1)CCN(C3)c1ncc(cn1)C(=O)NO)cn2C" . "Cn1cc(C[NH+]2CCC3(CCN(c4ncc(C(=O)NO)cn4)C3)C2)c2cc(C#N)ccc12" . "XYBGCCKUMXSCIP-UHFFFAOYSA-O" . "InChI=1S/C23H25N7O2/c1-28-12-18(19-8-16(9-24)2-3-20(19)28)13-29-6-4-23(14-29)5-7-30(15-23)22-25-10-17(11-26-22)21(31)27-32/h2-3,8,10-12,32H,4-7,13-15H2,1H3,(H,27,31)/p+1" . "CNS(=O)(=O)c1ccc(c(c1)Nc1ncnc2c1ccc(c2)OCCCN1CCN(CC1)C(=O)N1CCN(CC1)CCC#Cc1ccc(cc1)N1CCC(=O)NC1=O)N(C)C" . "CNS(=O)(=O)c1cc(Nc2ncnc3cc(OCCCN4CCN(CC4)C(=O)N4CCN(CCC#Cc5ccc(cc5)N5CCC(=O)NC5=O)CC4)ccc23)c(cc1)N(C)C" . "OGZQGEDLXOIYFN-UHFFFAOYSA-N" . "InChI=1S/C43H53N11O6S/c1-44-61(58,59)35-13-15-39(49(2)3)38(30-35)47-41-36-14-12-34(29-37(36)45-31-46-41)60-28-6-18-51-22-26-53(27-23-51)43(57)52-24-20-50(21-25-52)17-5-4-7-32-8-10-33(11-9-32)54-19-16-40(55)48-42(54)56/h8-15,29-31,44H,5-6,16-28H2,1-3H3,(H,45,46,47)(H,48,55,56)" . "CNc1ncnc(c1)Oc1c(Cl)cc(cc1Cl)NC(=O)Nc1cccc(c1)C(F)(F)F" . "CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1" . "QOQADIYOLOHRAW-UHFFFAOYSA-N" . "InChI=1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)N)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCNC(=N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N" . "NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "YVPAJDRBTJWURG-YXFFYCBWSA-N" . "InChI=1S/C160H242N40O54/c1-20-75(11)123(152(246)178-94(47-49-112(163)207)136(230)198-127(81(17)203)156(250)177-92(41-32-33-51-161)135(229)194-126(78(14)23-4)155(249)200-128(82(18)204)157(251)192-109(159(253)254)67-122(222)223)195-147(241)98(55-74(9)10)180-141(235)102(59-87-68-170-91-40-31-30-39-89(87)91)184-143(237)104(62-114(165)209)191-153(247)124(76(12)21-2)196-148(242)101(57-85-37-28-25-29-38-85)182-145(239)107(65-120(218)219)187-133(227)93(42-34-52-169-160(167)168)175-131(225)80(16)172-130(224)79(15)173-137(231)96(53-72(5)6)179-142(236)103(61-113(164)208)185-146(240)108(66-121(220)221)188-138(232)97(54-73(7)8)190-154(248)125(77(13)22-3)197-158(252)129(83(19)205)199-149(243)105(63-115(166)210)186-139(233)100(58-86-43-45-88(206)46-44-86)181-134(228)95(48-50-117(212)213)176-144(238)106(64-119(216)217)189-151(245)111(71-202)193-140(234)99(56-84-35-26-24-27-36-84)183-150(244)110(70-201)174-116(211)69-171-132(226)90(162)60-118(214)215/h24-31,35-40,43-46,68,72-83,90,92-111,123-129,170,201-206H,20-23,32-34,41-42,47-67,69-71,161-162H2,1-19H3,(H2,163,207)(H2,164,208)(H2,165,209)(H2,166,210)(H,171,226)(H,172,224)(H,173,231)(H,174,211)(H,175,225)(H,176,238)(H,177,250)(H,178,246)(H,179,236)(H,180,235)(H,181,228)(H,182,239)(H,183,244)(H,184,237)(H,185,240)(H,186,233)(H,187,227)(H,188,232)(H,189,245)(H,190,248)(H,191,247)(H,192,251)(H,193,234)(H,194,229)(H,195,241)(H,196,242)(H,197,252)(H,198,230)(H,199,243)(H,200,249)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,253,254)(H4,167,168,169)/t75-,76-,77-,78-,79-,80-,81+,82+,83+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,123-,124-,125-,126-,127-,128-,129-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCNC(=N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N" . "NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "BONVCUWVEHTDCR-NTNVLEAHSA-N" . "InChI=1S/C169H254N44O56/c1-21-79(11)130(161(261)190-100(48-50-119(172)220)145(245)211-134(86(18)216)165(265)189-98(42-33-34-52-170)144(244)207-133(82(14)24-4)164(264)213-135(87(19)217)166(266)205-116(168(268)269)69-129(235)236)208-156(256)104(56-78(9)10)193-150(250)108(60-92-70-180-97-41-32-31-40-95(92)97)197-152(252)110(63-121(174)222)204-162(262)131(80(12)22-2)209-157(257)107(58-90-38-29-26-30-39-90)195-154(254)114(67-127(231)232)200-142(242)99(43-35-53-179-169(176)177)187-138(238)84(16)183-137(237)83(15)185-146(246)102(54-76(5)6)192-151(251)109(62-120(173)221)198-155(255)115(68-128(233)234)201-147(247)103(55-77(7)8)203-163(263)132(81(13)23-3)210-167(267)136(88(20)218)212-158(258)111(64-122(175)223)199-148(248)106(59-91-44-46-94(219)47-45-91)194-143(243)101(49-51-124(225)226)188-153(253)113(66-126(229)230)202-160(260)118(74-215)206-149(249)105(57-89-36-27-25-28-37-89)196-159(259)117(73-214)186-123(224)72-181-141(241)112(65-125(227)228)191-139(239)85(17)184-140(240)96(171)61-93-71-178-75-182-93/h25-32,36-41,44-47,70-71,75-88,96,98-118,130-136,180,214-219H,21-24,33-35,42-43,48-69,72-74,170-171H2,1-20H3,(H2,172,220)(H2,173,221)(H2,174,222)(H2,175,223)(H,178,182)(H,181,241)(H,183,237)(H,184,240)(H,185,246)(H,186,224)(H,187,238)(H,188,253)(H,189,265)(H,190,261)(H,191,239)(H,192,251)(H,193,250)(H,194,243)(H,195,254)(H,196,259)(H,197,252)(H,198,255)(H,199,248)(H,200,242)(H,201,247)(H,202,260)(H,203,263)(H,204,262)(H,205,266)(H,206,249)(H,207,244)(H,208,256)(H,209,257)(H,210,267)(H,211,245)(H,212,258)(H,213,264)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,268,269)(H4,176,177,179)/t79-,80-,81-,82-,83-,84-,85-,86+,87+,88+,96-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,130-,131-,132-,133-,134-,135-,136-/m0/s1" . "CC[N+](CC(=O)Nc1c(C)cccc1C)(CC)[O-]" . "Cc1c(NC(=O)C[N+](CC)(CC)[O-])c(ccc1)C" . "YDVXPJXUHRROBA-UHFFFAOYSA-N" . "InChI=1S/C14H22N2O2/c1-5-16(18,6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)" . "COc1ccc(cn1)[C@H]([C@@H](NC(=O)C1CC1)C)Oc1ccc2c(c1)cnn2c1ccc(cc1)F" . "C[C@@H]([C@@H](c1cnc(cc1)OC)Oc1cc2c(cc1)n(nc2)c1ccc(cc1)F)NC(=O)C1CC1" . "YDRQCGICZKAGCQ-LMKMVOKYSA-N" . "InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1" . "NCCCC[C@@H](C(=O)Nc1ccc(cc1)COC(=O)NCOCCn1cnc(c1c1ccc2n(n1)c(C#N)cn2)c1ccc(c(c1)Cl)F)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)CC(C)C)CO" . "Fc1ccc(cc1Cl)c1c(n(CCOCNC(=O)OCc2ccc(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)CO)CCCCN)cc2)cn1)c1ccc2n(n1)c(cn2)C#N" . "RRGOOOPOTXFKKZ-UNVBUFFDSA-N" . "InChI=1S/C84H121ClFN17O23/c1-56(2)45-67(99-75(110)53-124-44-42-122-39-36-90-74(109)52-123-43-41-121-38-35-89-70(105)32-29-65(82(116)117)98-72(107)33-30-66(83(118)119)97-71(106)20-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-76(111)112)81(115)100-68(50-104)79(113)92-49-73(108)96-64(19-17-18-34-87)80(114)95-59-25-22-57(23-26-59)51-126-84(120)94-55-125-40-37-102-54-93-77(58-24-27-62(86)61(85)46-58)78(102)63-28-31-69-91-48-60(47-88)103(69)101-63/h22-28,31,46,48,54,56,64-68,104H,3-21,29-30,32-45,49-53,55,87H2,1-2H3,(H,89,105)(H,90,109)(H,92,113)(H,94,120)(H,95,114)(H,96,108)(H,97,106)(H,98,107)(H,99,110)(H,100,115)(H,111,112)(H,116,117)(H,118,119)/t64-,65-,66-,67-,68-/m0/s1" . "FC1CC(C1)(CNc1ncc(cn1)n1ccc(c1)C(=O)N)c1ncccc1F" . "C1C(CC1(CNc1ncc(cn1)n1ccc(c1)C(=O)N)c1c(cccn1)F)F" . "MQXWPWOCXGARRK-UHFFFAOYSA-N" . "InChI=1S/C19H18F2N6O/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26)" . "O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(O)CCC(F)(F)F)Cc1ccccc1)NCc1cccnc1C" . "[C@H]12CCc3c(ccc(c3)C(=O)NCc3c(C)nccc3)[C@]1(Cc1ccccc1)CC[C@](O)(CCC(F)(F)F)C2" . "KCAXPRFNWUOBNC-RDAHNBDFSA-N" . "InChI=1S/C32H35F3N2O2/c1-22-26(8-5-17-36-22)21-37-29(38)25-10-12-28-24(18-25)9-11-27-20-30(39,14-16-32(33,34)35)13-15-31(27,28)19-23-6-3-2-4-7-23/h2-8,10,12,17-18,27,39H,9,11,13-16,19-21H2,1H3,(H,37,38)/t27-,30+,31+/m1/s1" . "O=C(C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)NCCCCCNC(=O)Oc1ccc(cc1)C1CCC(=O)NC1=O" . "Cc1sc2c(c1C)C(=N[C@@H](CC(=O)NCCCCCNC(=O)Oc1ccc(cc1)C1CCC(=O)NC1=O)c1nnc(C)n21)c1ccc(Cl)cc1" . "DBLAYWMXROFYQV-CPRJBALCSA-N" . "InChI=1S/C36H38ClN7O5S/c1-20-21(2)50-35-31(20)32(24-7-11-25(37)12-8-24)40-28(33-43-42-22(3)44(33)35)19-30(46)38-17-5-4-6-18-39-36(48)49-26-13-9-23(10-14-26)27-15-16-29(45)41-34(27)47/h7-14,27-28H,4-6,15-19H2,1-3H3,(H,38,46)(H,39,48)(H,41,45,47)/t27?,28-/m0/s1" . "CCCN(C(=O)OCc1n(C)nnc1c1ccc(c(n1)C)O[C@H]1CCC[C@@H](C1)C(=O)O)C" . "Cc1nc(c2c(COC(=O)N(C)CCC)n(C)nn2)ccc1O[C@@H]1C[C@@H](C(=O)O)CCC1" . "UEUNDURNLYLSNB-HOTGVXAUSA-N" . "InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1" . "ONC(=O)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)CN1CCCC1" . "ONC(=O)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)CN1CCCC1" . "MTAWGBVDXCFYOF-UHFFFAOYSA-N" . "InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)" . "OCC([C@H](C(=O)NC[C@@H](NC(=O)c1cc(F)c(cc1F)F)C)O)(C)C" . "OCC([C@H](C(=O)NC[C@@H](NC(=O)c1cc(F)c(cc1F)F)C)O)(C)C" . "PRPWMPIRTLCTSC-SDBXPKJASA-N" . "InChI=1S/C16H21F3N2O4/c1-8(6-20-15(25)13(23)16(2,3)7-22)21-14(24)9-4-11(18)12(19)5-10(9)17/h4-5,8,13,22-23H,6-7H2,1-3H3,(H,20,25)(H,21,24)/t8-,13-/m0/s1" . "CC[C@H](C(=O)N)Nc1c(C#N)c(nc2c1ccnc2)c1ccc(cc1)c1cccc(c1F)Cl" . "Clc1c(c(ccc1)c1ccc(cc1)c1nc2cnccc2c(c1C#N)N[C@@H](C(=O)N)CC)F" . "LACMSNCHWBQXEK-HXUWFJFHSA-N" . "InChI=1S/C25H19ClFN5O/c1-2-20(25(29)33)31-24-17-10-11-30-13-21(17)32-23(18(24)12-28)15-8-6-14(7-9-15)16-4-3-5-19(26)22(16)27/h3-11,13,20H,2H2,1H3,(H2,29,33)(H,31,32)/t20-/m1/s1" . "CC[C@H](C(=O)O)Nc1c(C#N)c(nc2c1ccnc2)c1ccc(cc1)c1cccc(c1F)C" . "C(#N)c1c(nc2cnccc2c1N[C@@H](C(=O)O)CC)c1ccc(cc1)c1c(c(ccc1)C)F" . "DVIVLYHDLNAXAT-OAQYLSRUSA-N" . "InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1" . "O=C([C@@H]1C[C@@H](NS(=O)(=O)N1C)c1ncc(s1)c1ncn(c1)C)Nc1ccc(c(c1)Cl)F" . "Cn1cc(nc1)c1cnc(s1)[C@H]1C[C@H](N(S(=O)(=O)N1)C)C(=O)Nc1cc(c(cc1)F)Cl" . "XVKTYEAUJPZPDZ-HIFRSBDPSA-N" . "InChI=1S/C18H18ClFN6O3S2/c1-25-8-14(22-9-25)16-7-21-18(30-16)13-6-15(26(2)31(28,29)24-13)17(27)23-10-3-4-12(20)11(19)5-10/h3-5,7-9,13,15,24H,6H2,1-2H3,(H,23,27)/t13-,15+/m1/s1" . "Cn1ncc(c1)Nc1nccc(n1)c1ccc2c(c1)CN(CC[C@H]2NC(=O)c1nnn(c1)C(C)(C)C)C1COC1" . "O=C(c1cn(C(C)(C)C)nn1)N[C@H]1c2ccc(c3ccnc(Nc4cn(C)nc4)n3)cc2CN(C2COC2)CC1" . "JSAQBOQCZJHWMA-XMMPIXPASA-N" . "InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1" . "COC(=O)c1cnc2n1CCc1c(C2=C2CCN(CC2)CCc2ccc(cc2)OCc2ccc3c(n2)cccc3)cccc1" . "COC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(CC1)CCc1ccc(cc1)OCc1nc2ccccc2cc1" . "TULGGJGJQXESOO-UHFFFAOYSA-N" . "InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3" . "O[C@H](CN1CCN(CC1)C1c2ccccc2[C@@H]2[C@H](c3c1cccc3)C2(F)F)COc1cccc2c1cccn2" . "C1CN(CCN1C[C@H](COc1cccc2c1cccn2)O)C1c2ccccc2[C@H]2[C@H](C2(F)F)c2ccccc12" . "IHOVFYSQUDPMCN-XAKVHENESA-N" . "InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31?/m1/s1" . "COc1cc(C(=O)Nc2ccc(cc2)CCN2CCc3c(C2)cc(c(c3)OC)OC)c(cc1OC)NC(=O)c1cnc2c(c1)cccc2" . "COc1c(cc2CN(CCc2c1)CCc1ccc(cc1)NC(=O)c1cc(c(cc1NC(=O)c1cc2ccccc2nc1)OC)OC)OC" . "LGGHDPFKSSRQNS-UHFFFAOYSA-N" . "InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)" . "Cc1cc(Nc2ccc(cc2)C(=O)/C=C/c2ccc3c(c2)cccc3)n2c(n1)nc(n2)SCc1nc2c([nH]1)cccc2" . "Cc1nc2nc(SCc3nc4ccccc4[nH]3)nn2c(Nc2ccc(C(=O)/C=C/c3ccc4ccccc4c3)cc2)c1" . "WGQWRCAZEPAXRA-GZTJUZNOSA-N" . "InChI=1S/C33H25N7OS/c1-21-18-31(40-32(34-21)38-33(39-40)42-20-30-36-27-8-4-5-9-28(27)37-30)35-26-15-13-24(14-16-26)29(41)17-11-22-10-12-23-6-2-3-7-25(23)19-22/h2-19,35H,20H2,1H3,(H,36,37)/b17-11+" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)ccc(c2)N1CCN(CC1)CCC1CCN(CC1)C(=O)CCC(=O)N1CCN(CC1)[C@@H]1CC[C@@H](CC1)Nc1ncnn2c1c(cc2)C(C)C" . "CC(c1c2n(ncnc2N[C@H]2CC[C@H](CC2)N2CCN(CC2)C(=O)CCC(=O)N2CCC(CC2)CCN2CCN(CC2)c2cc3c(cc2)C(=O)N(C3=O)C2C(=O)NC(=O)CC2)cc1)C" . "ZUODKONSNNHSAJ-AMLBMYBGSA-N" . "InChI=1S/C47H63N11O6/c1-31(2)36-16-20-57-43(36)44(48-30-49-57)50-33-3-5-34(6-4-33)53-25-27-56(28-26-53)42(61)12-11-41(60)55-18-14-32(15-19-55)13-17-52-21-23-54(24-22-52)35-7-8-37-38(29-35)47(64)58(46(37)63)39-9-10-40(59)51-45(39)62/h7-8,16,20,29-34,39H,3-6,9-15,17-19,21-28H2,1-2H3,(H,48,49,50)(H,51,59,62)/t33-,34+,39?" . "O[C@H]1CN([C@@H](C1)C(=O)NCc1ccc(cc1)c1scnc1C)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)CCc1ccc(c(n1)C)c1cnc(n2c1nnc2)NCc1c(F)ccc2c1CCO2" . "Fc1ccc2c(CCO2)c1CNc1ncc(c2n1cnn2)c1ccc(nc1C)CCC(=O)NCCCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCc1ccc(cc1)c1c(ncs1)C)C(C)(C)C" . "CQSOTYMFUWTIIR-HUSBZTEESA-N" . "InChI=1S/C50H58FN11O6S/c1-29-35(38-25-55-49(62-27-57-60-46(38)62)54-24-37-36-19-21-68-41(36)17-16-39(37)51)15-13-33(58-29)14-18-42(64)52-20-7-6-8-43(65)59-45(50(3,4)5)48(67)61-26-34(63)22-40(61)47(66)53-23-31-9-11-32(12-10-31)44-30(2)56-28-69-44/h9-13,15-17,25,27-28,34,40,45,63H,6-8,14,18-24,26H2,1-5H3,(H,52,64)(H,53,66)(H,54,55)(H,59,65)/t34-,40+,45-/m1/s1" . "OC(=O)c1c2CCCOc3cc(SCc4cc(CSCc5c(c6c(n1C)c2ccc6Cl)c(C)n(n5)C)nn4C)cc1c3cccc1" . "Cc1c2c(nn1C)CSCc1nn(c(c1)CSc1cc3ccccc3c(c1)OCCCc1c(n(c3c1ccc(c23)Cl)C)C(=O)O)C" . "KBQCEQAXHPIRTF-UHFFFAOYSA-N" . "InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)" . "CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1ncc(c(c1)c1cnn2c1CC(C2)(C)C)Cl" . "CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1ncc(c(c1)c1c2CC(Cn2nc1)(C)C)Cl" . "AVIWDYSJSPOOAR-LSDHHAIUSA-N" . "InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1" . "OCCN(CC[C@@H](Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@H](c1ccccc1c1ccc(cc1)Cl)O)CSc1ccccc1)C" . "CN(CC[C@H](CSc1ccccc1)Nc1c(cc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@H](c1ccccc1c1ccc(cc1)Cl)O)S(=O)(=O)C(F)(F)F)CCO" . "UNEJSHNDABUZNY-UJNHCCGESA-N" . "InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1" . "CC(C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c1cnco1)N)C" . "N[C@@H](C(=O)Nc1cc(c(cc1)c1cnco1)OC(F)F)CC(C)C" . "GCTFTMWXZFLTRR-GFCCVEGCSA-N" . "InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1" . "C[C@@H]1N[C@H](C)CN(C1)c1ncc(c(c1)C)c1ccc(cc1)c1[nH]c(=O)c2c(n1)n(C)cc2" . "C[C@@H]1CN(C[C@@H](N1)C)c1ncc(c(c1)C)c1ccc(cc1)c1nc2c(ccn2C)c(=O)[nH]1" . "WCPTUQOMNJBIET-CALCHBBNSA-N" . "InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+" . "O=C(CCC(=O)N1CCN2[C@H](C1)COCCOc1cc(Nc3nc2ncc3Cl)cc2c1N(C)C(=O)CC2)NCCCOCCOCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "CN1C(=O)CCc2c1c1cc(Nc3nc(ncc3Cl)N3CCN(C[C@@H]3COCCO1)C(=O)CCC(=O)NCCCOCCOCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c2" . "YQWUMLVLLIWGQJ-UYEDPJPISA-N" . "InChI=1S/C45H52ClN9O12/c1-52-37(58)10-6-27-22-28-23-34(40(27)52)67-21-19-65-26-29-25-53(13-14-54(29)45-48-24-31(46)41(49-28)51-45)38(59)11-9-35(56)47-12-3-15-63-16-17-64-18-20-66-33-5-2-4-30-39(33)44(62)55(43(30)61)32-7-8-36(57)50-42(32)60/h2,4-5,22-24,29,32H,3,6-21,25-26H2,1H3,(H,47,56)(H,48,49,51)(H,50,57,60)/t29-,32?/m1/s1" . "Clc1ccc(cc1)C1=N[C@@H](CC(=O)NCCOCCOCCOCC(COCC(=O)N[C@@H](C(C)(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc2ccc(cc2)c2scnc2C)O)(COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(cc3)Cl)c3c(n4c2nnc4C)sc(c3C)C)C)c2n(c3c1c(C)c(s3)C)c(nn2)C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCC(COCCOCCOCCNC(=O)C[C@H]1c2n(c3c(C(=N1)c1ccc(cc1)Cl)c(c(s3)C)C)c(nn2)C)(COCCOCCOCCNC(=O)C[C@H]1c2n(c3c(C(=N1)c1ccc(cc1)Cl)c(c(s3)C)C)c(nn2)C)C)C(=O)NCc1ccc(cc1)c1c(ncs1)C" . "RARNTROXRCXFHV-CMRSQZKGSA-N" . "InChI=1S/C79H98Cl2N14O13S3/c1-46-49(4)110-76-66(46)68(54-16-20-57(80)21-17-54)86-60(72-91-89-51(6)94(72)76)37-63(97)82-24-26-102-28-30-104-32-34-106-42-79(11,44-108-41-65(99)88-71(78(8,9)10)75(101)93-40-59(96)36-62(93)74(100)84-39-53-12-14-56(15-13-53)70-48(3)85-45-109-70)43-107-35-33-105-31-29-103-27-25-83-64(98)38-61-73-92-90-52(7)95(73)77-67(47(2)50(5)111-77)69(87-61)55-18-22-58(81)23-19-55/h12-23,45,59-62,71,96H,24-44H2,1-11H3,(H,82,97)(H,83,98)(H,84,100)(H,88,99)/t59-,60+,61+,62+,71-/m1/s1" . "C[C@H]1SC(=N[C@]([C@H]1F)(C)c1cc(ccc1F)NC(=O)c1ncc2c(c1)OCCO2)N" . "C[C@]1([C@@H](F)[C@@H](C)SC(=N1)N)c1cc(NC(=O)c2ncc3OCCOc3c2)ccc1F" . "LQVIUEMPEFSVOL-CPRIZNHFSA-N" . "InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1" . "C=CCn1ccc2c1cccc2C(=O)Oc1cncc(c1)Cl" . "C=CCn1ccc2c1cccc2C(=O)Oc1cc(Cl)cnc1" . "XBVPAGLILYEOGS-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN2O2/c1-2-7-20-8-6-14-15(4-3-5-16(14)20)17(21)22-13-9-12(18)10-19-11-13/h2-6,8-11H,1,7H2" . "C[C@H](c1cccc(c1)c1ccc(s1)CN1CCCC1)NC(=O)c1cc(ccc1C)NC1CNC1" . "C[C@@H](NC(=O)c1c(C)ccc(NC2CNC2)c1)c1cc(c2ccc(CN3CCCC3)s2)ccc1" . "ZTKSBNLNPMUGBL-HXUWFJFHSA-N" . "InChI=1S/C28H34N4OS/c1-19-8-9-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-6-5-7-22(14-21)27-11-10-25(34-27)18-32-12-3-4-13-32/h5-11,14-15,20,24,29,31H,3-4,12-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1" . "C[C@H](c1cccc(c1)c1ccc(s1)CNC1CCCC1)NC(=O)c1cc(ccc1C)NC1CNC1" . "C[C@@H](NC(=O)c1c(C)ccc(NC2CNC2)c1)c1cc(c2ccc(CNC3CCCC3)s2)ccc1" . "PKMUHQIDVVOXHQ-HXUWFJFHSA-N" . "InChI=1S/C29H36N4OS/c1-19-10-11-24(33-25-16-30-17-25)15-27(19)29(34)32-20(2)21-6-5-7-22(14-21)28-13-12-26(35-28)18-31-23-8-3-4-9-23/h5-7,10-15,20,23,25,30-31,33H,3-4,8-9,16-18H2,1-2H3,(H,32,34)/t20-/m1/s1" . "CO[C@]1(CCOc2c1cc(F)cc2F)C(=O)Nc1cncc2c1cccc2" . "CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(F)cc12" . "RMXNRMBUTBCRQX-FQEVSTJZSA-N" . "InChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1" . "Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2ccc(c1)C(O)(C)C)C" . "Cn1nnc(C)c1c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c2ccc(c1)C(C)(C)O" . "KGERZPVQIRYWRK-GDLZYMKVSA-N" . "InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1" . "Clc1ccc(cc1)Cn1c(Nc2ccc(cc2)Oc2ccccn2)nc(=O)n(c1=O)C[C@@H](C(=O)O)C" . "C[C@@H](Cn1c(=O)nc(n(c1=O)Cc1ccc(cc1)Cl)Nc1ccc(cc1)Oc1ccccn1)C(=O)O" . "SKZQFKBIJUXXCG-INIZCTEOSA-N" . "InChI=1S/C25H22ClN5O5/c1-16(22(32)33)14-31-24(34)29-23(30(25(31)35)15-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-13-27-21/h2-13,16H,14-15H2,1H3,(H,32,33)(H,28,29,34)/t16-/m0/s1" . "N#Cc1ccc(cc1Cl)N([C@@H]1CC[C@H](CC1)NC(=O)c1ccc(cc1)N1CCN(CC1)C1CN(C1)c1ccc2c(c1)C(=O)N(C2=O)C1CCC(=O)NC1=O)C" . "Clc1c(C#N)ccc(N(C)[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(N3CCN(C4CN(C4)c4cc5c(C(=O)N(C6C(=O)NC(=O)CC6)C5=O)cc4)CC3)cc2)c1" . "LUCHABJUYSYJAT-RVWRWSNSSA-N" . "InChI=1S/C41H43ClN8O5/c1-46(30-9-4-26(22-43)35(42)21-30)28-10-5-27(6-11-28)44-38(52)25-2-7-29(8-3-25)47-16-18-48(19-17-47)32-23-49(24-32)31-12-13-33-34(20-31)41(55)50(40(33)54)36-14-15-37(51)45-39(36)53/h2-4,7-9,12-13,20-21,27-28,32,36H,5-6,10-11,14-19,23-24H2,1H3,(H,44,52)(H,45,51,53)/t27-,28-,36?" . "O=C1Nc2cnn(c2c2ccnc(c2)[C@H](CCC[C@H]1C)n1cnc(cc1=O)c1cc(Cl)ccc1n1nnc(c1)Cl)C(F)F" . "C[C@@H]1CCC[C@@H](c2nccc(c2)c2c(cnn2C(F)F)NC1=O)n1cnc(cc1=O)c1c(ccc(c1)Cl)n1cc(nn1)Cl" . "FSWFYCYPTDLKON-CMJOXMDJSA-N" . "InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1" . "CN=C([C@H]1N(C[C@@H](c2c1n(C)nc2)NOS(=O)(=O)O)C(=O)O)NO" . "CN=C([C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O)NO" . "TVYRNFNEBLNAMJ-XPUUQOCRSA-N" . "InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1" . "COc1nc(ccc1n1cnc(c1)C)C1=NO[C@@H]([C@@H](N1)c1ccc(cc1)Cl)C1CC1" . "Clc1ccc([C@@H]2NC(=NO[C@@H]2C2CC2)c2ccc(n3cc(C)nc3)c(OC)n2)cc1" . "IOQORVDNYPOZPL-VQTJNVASSA-N" . "InChI=1S/C22H22ClN5O2/c1-13-11-28(12-24-13)18-10-9-17(25-22(18)29-2)21-26-19(14-5-7-16(23)8-6-14)20(30-27-21)15-3-4-15/h5-12,15,19-20H,3-4H2,1-2H3,(H,26,27)/t19-,20+/m0/s1" . "FC[C@]1(CC[C@@](C(=N1)N)(C)S(=O)(=O)CC)c1cc(ccc1F)NC(=O)c1ncc2c(c1)OC(O2)(F)F" . "CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)NC(=O)c1cc2OC(F)(F)Oc2cn1" . "NDIQAOIHFVWZJQ-NHCUHLMSSA-N" . "InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1" . "CCc1c(C#N)c(nc(c1C#N)N1CCC(CC1)N)SC(c1ccccc1)C(=O)N" . "CCc1c(C#N)c(nc(SC(C(=O)N)c2ccccc2)c1C#N)N1CCC(N)CC1" . "KNKHRZYILDZLRE-UHFFFAOYSA-N" . "InChI=1S/C22H24N6OS/c1-2-16-17(12-23)21(28-10-8-15(25)9-11-28)27-22(18(16)13-24)30-19(20(26)29)14-6-4-3-5-7-14/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,29)" . "O[C@@H]1[C@@H](CCc2ccc3c(c2)nc(c(c3)Br)N)C[C@H]([C@@H]1O)n1ccc2c1ncnc2N" . "C1[C@@H]([C@H]([C@H]([C@@H]1n1ccc2c(ncnc12)N)O)O)CCc1cc2nc(c(cc2cc1)Br)N" . "DBSMLQTUDJVICQ-CJODITQLSA-N" . "InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1" . "COC(=O)OCOc1c(=O)ccn2c1C(=O)N1CCOC[C@H]1N2[C@@H]1c2ccccc2SCc2c1ccc(c2F)F" . "COC(=O)OCOc1c2C(=O)N3CCOC[C@H]3N(n2ccc1=O)[C@H]1c2c(CSc3ccccc13)c(c(cc2)F)F" . "RZVPBGBYGMDSBG-GGAORHGYSA-N" . "InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1" . "O=C(Nc1ccc(cc1)Oc1ncnc2c1ccc(c2)N(C)C)NCc1ccc(nc1)C(F)(F)F" . "CN(c1ccc2c(ncnc2c1)Oc1ccc(cc1)NC(=O)NCc1cnc(cc1)C(F)(F)F)C" . "ORYMWWSJZRCUSV-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N6O2/c1-33(2)17-6-9-19-20(11-17)30-14-31-22(19)35-18-7-4-16(5-8-18)32-23(34)29-13-15-3-10-21(28-12-15)24(25,26)27/h3-12,14H,13H2,1-2H3,(H2,29,32,34)" . "CCOC(=O)C1=C(NN2CCN(CC2)CC(F)(F)F)O/C(=C/c2c[nH]c3c2cccn3)/C1=O" . "FC(F)(F)CN1CCN(NC2=C(C(=O)OCC)C(=O)/C(=C/c3c[nH]c4c3cccn4)/O2)CC1" . "DNTVXDZWVOVLOD-GDNBJRDFSA-N" . "InChI=1S/C21H22F3N5O4/c1-2-32-20(31)16-17(30)15(10-13-11-26-18-14(13)4-3-5-25-18)33-19(16)27-29-8-6-28(7-9-29)12-21(22,23)24/h3-5,10-11,27H,2,6-9,12H2,1H3,(H,25,26)/b15-10-" . "C/C=C/C[C@H](C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)C" . "C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C" . "YJDYDFNKCBANTM-QCWCSKBGSA-N" . "InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C" . "CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)c1ccccc1[N+](=O)[O-])C(=O)OC" . "NCUCGYYHUFIYNU-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3" . "OC(=O)CCc1c([nH]cc1C)/C=C/1/C(=O)Nc2c1cccc2" . "Cc1c[nH]c(c1CCC(=O)O)/C=C/1/c2ccccc2NC1=O" . "JNDVEAXZWJIOKB-JYRVWZFOSA-N" . "InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-" . "CNCCCCOc1ccccc1Cc1ccccc1" . "CNCCCCOc1ccccc1Cc1ccccc1" . "QSQQPMHPCBLLGX-UHFFFAOYSA-N" . "InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3" . "COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1" . "COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cnccc1)CCCc1cnccc1" . "CGVWPQOFHSAKRR-NDEPHWFRSA-N" . "InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1" . "CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C" . "CCOC(=O)C1=C(NC(=C(C1c1ccccc1/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C" . "GKQPCPXONLDCMU-CCEZHUSRSA-N" . "InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C" . "CC1=C(C(C(=C(N1)C)C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc(ccc1)[N+](=O)[O-])C(=O)OC" . "ANEBWFXPVPTEET-UHFFFAOYSA-N" . "InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3" . "CCCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)cn2CC)S(=O)(=O)N1CCN(CC1)CCO" . "CCCc1cn(c2c1nc([nH]c2=O)c1c(ccc(c1)S(=O)(=O)N1CCN(CC1)CCO)OCCC)CC" . "MIJFNYMSCFYZNY-UHFFFAOYSA-N" . "InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)" . "OC(=O)CN1C[C@H](SC[C@@H](C1=O)N[C@H](C(=O)O)CCc1ccccc1)c1cccs1" . "C1[C@H](SC[C@@H](C(=O)N1CC(=O)O)N[C@@H](CCc1ccccc1)C(=O)O)c1cccs1" . "KZVWEOXAPZXAFB-BQFCYCMXSA-N" . "InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1" . "CCOC(=O)[C@@H](N[C@H]1CS[C@@H](CN(C1=O)CC(=O)O)c1cccs1)CCc1ccccc1" . "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@@H](CN(C1=O)CC(=O)O)c1cccs1" . "FIQOFIRCTOWDOW-BJLQDIEVSA-N" . "InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1" . "CCOc1ccc(c2c1cccn2)S(=O)(=O)Nc1ccc(cc1C#Cc1cnc(cc1OC)C(=O)O)Cl" . "Clc1ccc(c(c1)C#Cc1c(cc(nc1)C(=O)O)OC)NS(=O)(=O)c1ccc(c2cccnc12)OCC" . "FNBUZGRPJLEIMO-UHFFFAOYSA-N" . "InChI=1S/C26H20ClN3O6S/c1-3-36-22-10-11-24(25-19(22)5-4-12-28-25)37(33,34)30-20-9-8-18(27)13-16(20)6-7-17-15-29-21(26(31)32)14-23(17)35-2/h4-5,8-15,30H,3H2,1-2H3,(H,31,32)" . "CN(c1cc(F)c(cc1C)S(=O)(=O)Cc1cscn1)[C@@H]1CCN(C1)Cc1ccccc1" . "CN([C@@H]1CCN(Cc2ccccc2)C1)c1c(C)cc(c(F)c1)S(=O)(=O)Cc1cscn1" . "NCHSBJMSORBEAV-HXUWFJFHSA-N" . "InChI=1S/C23H26FN3O2S2/c1-17-10-23(31(28,29)15-19-14-30-16-25-19)21(24)11-22(17)26(2)20-8-9-27(13-20)12-18-6-4-3-5-7-18/h3-7,10-11,14,16,20H,8-9,12-13,15H2,1-2H3/t20-/m1/s1" . "O=C1OC[C@@]2(N1)C[C@@H](C2)C(=O)N1CC(C1)OCc1ccc(c(c1)Cl)C" . "Cc1c(Cl)cc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)cc1" . "AKBHYCHPWZPGAH-QGGXVJLZSA-N" . "InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)/t13-,18+" . "FC(c1cncc(c1)c1ccc2c(c1)n1c(cn2)nnc1C1=CCCOCC1)F" . "FC(F)c1cncc(c1)c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1" . "ATKHYZXUMVNCIO-UHFFFAOYSA-N" . "InChI=1S/C21H17F2N5O/c22-20(23)16-8-15(10-24-11-16)14-3-4-17-18(9-14)28-19(12-25-17)26-27-21(28)13-2-1-6-29-7-5-13/h2-4,8-12,20H,1,5-7H2" . "C=CCn1c(=O)c2c(n1c1ccc3c(n1)[C@@](O)(CC)CC3)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C" . "O=c1n(CC=C)n(c2ccc3CC[C@@](CC)(O)c3n2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12" . "OXTSYWDBUVRXFF-GDLZYMKVSA-N" . "InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1" . "C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2c1cccc2)c1n[nH]c(=O)[nH]1" . "C(=O)(C=C)N1C[C@H](CC1)Oc1nc(cc2ccccc12)c1[nH]c(=O)[nH]n1" . "HIMUHMBGRATXMK-LBPRGKRZSA-N" . "InChI=1S/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/m0/s1" . "COc1ncc(cc1c1ccc(cc1[C@@H]1CC[C@@H]2N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccc(cc1C)C(=O)O" . "FC(c1cc(cc(c1)C(F)(F)F)[C@@H]1[C@H]2N(C(=O)O1)[C@@H](CC2)c1c(ccc(c1)C(F)(F)F)c1cc(cnc1OC)c1c(cc(C(=O)O)cc1)C)(F)F" . "VYZPBLVSILOWMJ-YTCPBCGMSA-N" . "InChI=1S/C35H25F9N2O5/c1-16-9-17(31(47)48)3-5-23(16)19-12-26(30(50-2)45-15-19)24-6-4-20(33(36,37)38)14-25(24)27-7-8-28-29(51-32(49)46(27)28)18-10-21(34(39,40)41)13-22(11-18)35(42,43)44/h3-6,9-15,27-29H,7-8H2,1-2H3,(H,47,48)/t27-,28-,29+/m0/s1" . "OCCCCCCCCCCCCc1ncc[nH]1" . "OCCCCCCCCCCCCc1ncc[nH]1" . "DOKOVZHOVUEIBQ-UHFFFAOYSA-N" . "InChI=1S/C15H28N2O/c18-14-10-8-6-4-2-1-3-5-7-9-11-15-16-12-13-17-15/h12-13,18H,1-11,14H2,(H,16,17)" . "Clc1cncc(c1c1noc(c1C1=CC2(C1)CCN(CC2)c1ccc2c(c1)c(cc(n2)C(=O)O)C(F)(F)F)C1CC1)Cl" . "C1(CC1)c1c(c(no1)c1c(cncc1Cl)Cl)C1=CC2(C1)CCN(CC2)c1cc2c(cc(nc2cc1)C(=O)O)C(F)(F)F" . "WPGAVSDZYIRUGE-UHFFFAOYSA-N" . "InChI=1S/C30H23Cl2F3N4O3/c31-20-13-36-14-21(32)25(20)26-24(27(42-38-26)15-1-2-15)16-11-29(12-16)5-7-39(8-6-29)17-3-4-22-18(9-17)19(30(33,34)35)10-23(37-22)28(40)41/h3-4,9-11,13-15H,1-2,5-8,12H2,(H,40,41)" . "COc1cc(F)cc(c1)[C@H](NC(=O)[C@H](N1Cc2c(C1=O)cc(cc2)c1nc(ncc1Cl)NC1CCOCC1)C)CO" . "COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)c1nc(NC2CCOCC2)ncc1Cl" . "BVRGQPJKSKKGIH-PUAOIOHZSA-N" . "InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1" . "CN[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1ncc(nc1)N1CCN(CC1)CCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]c(c1C)C)C" . "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C" . "CHNBEZLJAQUZEX-LFRONEFISA-N" . "InChI=1S/C50H66F2N14O7S/c1-28-29(2)62-63-43(28)61-44-32-22-39(74(71,72)50(7,8)9)38(23-35(32)56-27-57-44)73-20-12-15-64-16-18-65(19-17-64)40-25-54-36(24-55-40)46(68)58-31-21-37(47(69)59-41-33(51)13-11-14-34(41)52)66(26-31)48(70)42(49(4,5)6)60-45(67)30(3)53-10/h11,13-14,22-25,27,30-31,37,42,53H,12,15-21,26H2,1-10H3,(H,58,68)(H,59,69)(H,60,67)(H2,56,57,61,62,63)/t30-,31-,37-,42+/m0/s1" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2CCCCCNC(=O)c1ccc(cc1)NC(=O)[C@@H]1NC2([C@]3([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c3ccc(c1)Cl)CCCCC2" . "Clc1ccc2c(NC(=O)[C@]32C2(CCCCC2)N[C@@H](C(=O)Nc2ccc(C(=O)NCCCCCc4cccc5C(=O)N(Cc45)C4C(=O)NC(=O)CC4)cc2)[C@@H]3c2cccc(Cl)c2F)c1" . "RRSNDVCODIMOFX-MPKOGUQCSA-N" . "InChI=1S/C48H47Cl2FN6O6/c49-29-16-19-34-36(25-29)54-46(63)48(34)39(32-12-8-13-35(50)40(32)51)41(56-47(48)22-4-2-5-23-47)44(61)53-30-17-14-28(15-18-30)42(59)52-24-6-1-3-9-27-10-7-11-31-33(27)26-57(45(31)62)37-20-21-38(58)55-43(37)60/h7-8,10-19,25,37,39,41,56H,1-6,9,20-24,26H2,(H,52,59)(H,53,61)(H,54,63)(H,55,58,60)/t37?,39-,41+,48+/m0/s1" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2CCCCCNC(=O)[C@@H]1NC2([C@]3([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c3ccc(c1)Cl)CCCCC2" . "C1CCC2(CC1)[C@@]1([C@H]([C@@H](N2)C(=O)NCCCCCc2c3CN(C(=O)c3ccc2)C2CCC(=O)NC2=O)c2c(c(ccc2)Cl)F)c2c(cc(cc2)Cl)NC1=O" . "BANRYGZZIMCKNA-OYGJEQPESA-N" . "InChI=1S/C41H42Cl2FN5O5/c42-24-14-15-28-30(21-24)46-39(54)41(28)33(26-12-8-13-29(43)34(26)44)35(48-40(41)18-4-2-5-19-40)37(52)45-20-6-1-3-9-23-10-7-11-25-27(23)22-49(38(25)53)31-16-17-32(50)47-36(31)51/h7-8,10-15,21,31,33,35,48H,1-6,9,16-20,22H2,(H,45,52)(H,46,54)(H,47,50,51)/t31?,33-,35+,41+/m0/s1" . "COc1ccc(cc1)NC(=O)N1CCCCN2[C@@H](C1)[C@H]([C@H]2CN(C)C)c1ccc(cc1)C#Cc1ccccc1" . "COc1ccc(cc1)NC(=O)N1CCCCN2[C@@H](C1)[C@H]([C@H]2CN(C)C)c1ccc(cc1)C#Cc1ccccc1" . "VKRCTZCBMKVHCK-RTOKGZNSSA-N" . "InChI=1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1" . "O[C@H]1CN([C@@H](C1)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCC(=O)N1CCN(CC1)CC[C@@H](Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC1=C(CCC(C1)(C)C)c1ccc(cc1)Cl)CSc1ccccc1" . "Cc1c(scn1)c1ccc(cc1)[C@H](C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCC(=O)N1CCN(CC1)CC[C@H](CSc1ccccc1)Nc1c(cc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC1=C(CCC(C1)(C)C)c1ccc(cc1)Cl)S(=O)(=O)C(F)(F)F)O" . "PXVFFBGSTYQHRO-REQIQPEASA-N" . "InChI=1S/C77H96ClF3N10O10S4/c1-51(53-18-20-55(21-19-53)70-52(2)82-50-103-70)83-73(96)66-44-61(92)48-91(66)74(97)71(75(3,4)5)85-68(93)16-12-9-13-17-69(94)90-42-36-87(37-43-90)35-33-59(49-102-62-14-10-8-11-15-62)84-65-31-30-63(45-67(65)104(98,99)77(79,80)81)105(100,101)86-72(95)56-24-28-60(29-25-56)89-40-38-88(39-41-89)47-57-46-76(6,7)34-32-64(57)54-22-26-58(78)27-23-54/h8,10-11,14-15,18-31,45,50-51,59,61,66,71,84,92H,9,12-13,16-17,32-44,46-49H2,1-7H3,(H,83,96)(H,85,93)(H,86,95)/t51-,59+,61+,66-,71+/m0/s1" . "CNC1(CCCCC1=O)c1ccccc1" . "CNC1(CCCCC1=O)c1ccccc1" . "ZAGBSZSITDFFAF-UHFFFAOYSA-N" . "InChI=1S/C13H17NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,14H,5-6,9-10H2,1H3" . "N#Cc1cccc(c1)C(=O)c1cnc(nc1)NC1(CC1)c1cncnc1" . "O=C(c1cc(ccc1)C#N)c1cnc(NC2(CC2)c2cncnc2)nc1" . "OJUWWGHSEBTYGS-UHFFFAOYSA-N" . "InChI=1S/C19H14N6O/c20-7-13-2-1-3-14(6-13)17(26)15-8-23-18(24-9-15)25-19(4-5-19)16-10-21-12-22-11-16/h1-3,6,8-12H,4-5H2,(H,23,24,25)" . "CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](c2c1cc(OCC(=O)NCCOCP(=O)(C)C)cc2)CC" . "CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](CC)c2ccc(OCC(=O)NCCOCP(=O)(C)C)cc12" . "DXVNYGRCASBPNU-UHFFFAOYSA-O" . "InChI=1S/C24H33ClN7O5P/c1-5-31-17-8-7-16(37-14-20(33)27-9-10-36-15-38(3,4)35)11-18(17)32(6-2)21(31)13-29-24(34)22-23(26)28-12-19(25)30-22/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H3-,26,27,28,29,33,34)/p+1" . "O=C(CSc1nnc(s1)NCc1ccccc1)NCC1CCCCC1" . "C1CCC(CC1)CNC(=O)CSc1nnc(s1)NCc1ccccc1" . "XBAZPYFIYYCZBO-UHFFFAOYSA-N" . "InChI=1S/C18H24N4OS2/c23-16(19-11-14-7-3-1-4-8-14)13-24-18-22-21-17(25-18)20-12-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,19,23)(H,20,21)" . "COC[C@H](C(=O)Nc1cccc2c1[nH]cc2c1nc(ncc1F)Nc1cccc(c1F)S(=O)(=O)C)N1CCN(CC1)C" . "COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c1[nH]cc2c1c(F)cnc(Nc2c(F)c(ccc2)S(=O)(=O)C)n1" . "JNUZADQZHYFJGW-JOCHJYFZSA-N" . "InChI=1S/C28H31F2N7O4S/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35)/t22-/m1/s1" . "CNCCOc1ccccc1C1(CC1)Nc1nccn(c1=O)c1cc(cc(c1C)F)C(=O)NC1CC1" . "Cc1c(cc(cc1F)C(=O)NC1CC1)n1ccnc(c1=O)NC1(CC1)c1ccccc1OCCNC" . "NNKPHNTWNILINE-UHFFFAOYSA-N" . "InChI=1S/C27H30FN5O3/c1-17-21(28)15-18(25(34)31-19-7-8-19)16-22(17)33-13-11-30-24(26(33)35)32-27(9-10-27)20-5-3-4-6-23(20)36-14-12-29-2/h3-6,11,13,15-16,19,29H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,34)" . "O[C@@H]([C@@H](NC(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@@H](c1ccccc1)C)Cc1ccccc1)CNC1CC1" . "C[C@H](c1ccccc1)NC(=O)c1cc(cc(c1)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC1CC1)O" . "VPNIQGRFZCTBEZ-SPTGULJVSA-N" . "InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1" . "O=C([C@@H]1N(Cc2c1ccc(c2)S(=O)(=O)C)C(=O)C)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O" . "FC(F)(F)C(O)(C(F)(F)F)c1ccc(cc1)NC(=O)[C@@H]1N(Cc2c1ccc(c2)S(=O)(=O)C)C(=O)C" . "QYYZXEPEVBXNNA-QGZVFWFLSA-N" . "InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1" . "COc1cn(c(=O)cc1c1cc(Cl)ccc1n1nnc(c1)C(F)(F)F)[C@H](C(=O)Nc1ccc(c(c1)F)C(=O)N)CC" . "O=C(Nc1cc(F)c(C(=O)N)cc1)[C@H](CC)n1cc(OC)c(cc1=O)c1cc(Cl)ccc1n1cc(C(F)(F)F)nn1" . "XYWIPYBIIRTJMM-IBGZPJMESA-N" . "InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1" . "N#CC1(CCN(C1=O)c1cc(C)nc(c1)C(=O)NCc1cc(F)cc(c1)c1cnn(c1)C)C1(C)CC1" . "N#CC1(CCN(C1=O)c1cc(C)nc(c1)C(=O)NCc1cc(F)cc(c1)c1cnn(c1)C)C1(C)CC1" . "PFICVJYRZDMEIX-UHFFFAOYSA-N" . "InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)" . "CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1ccc(cc1)OCc1ccc(cc1)C[N+]13CCN(CC1)CC3)cc(cc2)N(C)C" . "CCCCC1(CS(=O)(=O)c2c(cc(cc2)N(C)C)[C@H]([C@H]1O)c1ccc(cc1)OCc1ccc(cc1)C[N+]12CCN(CC1)CC2)CCCC" . "STPKWKPURVSAJF-LJEWAXOPSA-N" . "InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1" . "Fc1ccc(cc1)CNC(=O)N1CCN2[C@H](C1)C(OC2=O)(c1ccccc1)c1ccccc1" . "Fc1ccc(CNC(=O)N2CCN3[C@H](C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1" . "SFRQIPRTNYHJHP-HSZRJFAPSA-N" . "InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)/t23-/m1/s1" . "CNc1ncnc2c1ncn2[C@@H]1SC[C@H]([C@H]1O)N" . "O[C@H]1[C@@H](SC[C@H]1N)n1cnc2c(ncnc12)NC" . "MEYWNRDHEXYZIX-VISXPRAWSA-N" . "InChI=1S/C10H14N6OS/c1-12-8-6-9(14-3-13-8)16(4-15-6)10-7(17)5(11)2-18-10/h3-5,7,10,17H,2,11H2,1H3,(H,12,13,14)/t5-,7-,10-/m1/s1" . "Cc1c[nH]nc1" . "Cc1c[nH]nc1" . "RIKMMFOAQPJVMX-UHFFFAOYSA-N" . "InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)" . "NC(=N)NC(=O)c1cc(C#Cc2ccc(c(c2)C(=O)Nc2ccccn2)C(F)(F)F)cc(c1)C(F)(F)F" . "NC(=N)NC(=O)c1cc(C#Cc2ccc(c(c2)C(=O)Nc2ccccn2)C(F)(F)F)cc(c1)C(F)(F)F" . "GGTONGQHYUQSBR-UHFFFAOYSA-N" . "InChI=1S/C24H15F6N5O2/c25-23(26,27)16-10-14(9-15(12-16)20(36)35-22(31)32)5-4-13-6-7-18(24(28,29)30)17(11-13)21(37)34-19-3-1-2-8-33-19/h1-3,6-12H,(H,33,34,37)(H4,31,32,35,36)" . "CN([C@H]([C@@H](Nc1nn2c(C)nnc2c2c1cccc2)C)c1ccccc1)C" . "CN([C@H]([C@@H](Nc1nn2c(C)nnc2c2c1cccc2)C)c1ccccc1)C" . "MSFPLTWUFWOKBX-IFXJQAMLSA-N" . "InChI=1S/C21H24N6/c1-14(19(26(3)4)16-10-6-5-7-11-16)22-20-17-12-8-9-13-18(17)21-24-23-15(2)27(21)25-20/h5-14,19H,1-4H3,(H,22,25)/t14-,19+/m0/s1" . "O=Cc1cc(ccc1OCC(=O)N(C)C)c1cccc2c1cn[nH]2" . "C(=O)c1cc(ccc1OCC(=O)N(C)C)c1cccc2c1cn[nH]2" . "IXTRHVKNNCAPDT-UHFFFAOYSA-N" . "InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)" . "OC[C@@H](NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)OCc1ccccc1)C[C@@H]1CCNC1=O" . "OC[C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@@H]1[C@H]2C([C@H]2CN1C(=O)OCc1ccccc1)(C)C" . "KXNVRILCTPCDNL-VMXHOPILSA-N" . "InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1" . "N#Cc1c(ncnc1N)N[C@H](c1cc2ncc(n2nc1c1ccccc1)Cl)C" . "C[C@@H](c1cc2ncc(n2nc1c1ccccc1)Cl)Nc1ncnc(c1C#N)N" . "WKDBRCUUDXLTIM-NSHDSACASA-N" . "InChI=1S/C19H15ClN8/c1-11(26-19-14(8-21)18(22)24-10-25-19)13-7-16-23-9-15(20)28(16)27-17(13)12-5-3-2-4-6-12/h2-7,9-11H,1H3,(H3,22,24,25,26)/t11-/m0/s1" . "Clc1cccc2c1nc(cc2)Nc1ccc(cc1)OC(F)(F)F" . "Clc1cccc2ccc(nc12)Nc1ccc(cc1)OC(F)(F)F" . "OZOGDCZJYVSUBR-UHFFFAOYSA-N" . "InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)" . "O=C(O[C@@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CC[C@@]1(C2[C@@H](CC1)[C@@H](O)C)C(=O)O)C)C)NC1CC1" . "CC1(C)[C@H](OC(=O)NC2CC2)CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]1(C)CC[C@]1(C(=O)O)C2[C@H]([C@H](C)O)CC1" . "NZSQBRZWARZNQH-ZWOACCQCSA-N" . "InChI=1S/C33H53NO5/c1-19(35)21-11-16-33(27(36)37)18-17-31(5)22(26(21)33)9-10-24-30(4)14-13-25(39-28(38)34-20-7-8-20)29(2,3)23(30)12-15-32(24,31)6/h19-26,35H,7-18H2,1-6H3,(H,34,38)(H,36,37)/t19-,21-,22?,23?,24?,25+,26?,30-,31+,32+,33-/m0/s1" . "CCCC(=O)O[C@@H]1CC[C@]2(C(C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(C)C)C(=O)O)C)C" . "C[C@]12C(CC[C@]3(C)[C@@H]1CC[C@H]1[C@@]3(C)CC[C@]3(C(=O)O)[C@@H]1[C@H](C(C)C)CC3)C(C)(C)[C@H](OC(=O)CCC)CC2" . "XQYINMZHVRUGDM-LSPHDCIISA-N" . "InChI=1S/C34H56O4/c1-9-10-27(35)38-26-15-16-31(6)24(30(26,4)5)14-17-33(8)25(31)12-11-23-28-22(21(2)3)13-18-34(28,29(36)37)20-19-32(23,33)7/h21-26,28H,9-20H2,1-8H3,(H,36,37)/t22-,23+,24?,25+,26+,28+,31-,32+,33+,34-/m0/s1" . "COc1cc(cnc1OC)N1C(=O)N(Cc2c(F)cc(cc2F)F)c2c(S1(=O)=O)cccn2" . "COc1cc(cnc1OC)N1S(=O)(=O)c2c(N(C1=O)Cc1c(cc(cc1F)F)F)nccc2" . "SUQZCEUKWPKXEE-UHFFFAOYSA-N" . "InChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3" . "Clc1ccc(cc1)c1cnc2c(c1)C[C@@]1([C@@]34[C@H]2Oc2c4c(C[C@H]1N(CC3)C)ccc2O)OCCCc1ccccc1" . "CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@]2(Cc1c4ncc(c1)c1ccc(Cl)cc1)OCCCc1ccccc1)c35" . "AQMQWKFSMIRRJA-OGICNVKRSA-N" . "InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1" . "Clc1ccc(cc1)c1c2OCCN(C(=O)c2nn1c1ccccc1Cl)CC(F)(F)C" . "Clc1c(cccc1)n1nc2C(=O)N(CCOc2c1c1ccc(cc1)Cl)CC(C)(F)F" . "FJMQJSUOOGOWBD-UHFFFAOYSA-N" . "InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)Cc1ccc(cc1)O)CC(=O)N)[C@H](O)C)[C@H](O)C)[C@H](O)C)NC(=O)[C@H](N)C" . "C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)O" . "AKWRNBWMGFUAMF-ZESMOPTKSA-N" . "InChI=1S/C35H56N10O15/c1-13(36)29(54)41-22(12-46)32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1" . "O=C(N([C@@H](c1ccccc1)CN1CCCC1)C)Cc1ccc(c(c1)Cl)Cl" . "Clc1cc(ccc1Cl)CC(=O)N([C@H](CN1CCCC1)c1ccccc1)C" . "AEJOEPSMZCEYJN-HXUWFJFHSA-N" . "InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1" . "CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@H](C2)O" . "CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)N[C@@H]1[C@H]2C[C@H](O)C[C@@H]12" . "FNHHVPPSBFQMEL-HURDOVMISA-N" . "InChI=1S/C24H26N2O4/c1-24(14-6-4-3-5-7-14)12-30-21-18(23(29)25-2)8-13(9-19(21)24)22(28)26-20-16-10-15(27)11-17(16)20/h3-9,15-17,20,27H,10-12H2,1-2H3,(H,25,29)(H,26,28)/t15-,16-,17+,20+,24-/m0/s1" . "CCCOc1nc(OCC(O)(C)C)c(cc1CO)c1ccc(cc1)S(=O)(=O)C" . "O=S(=O)(c1ccc(cc1)c1c(OCC(O)(C)C)nc(OCCC)c(CO)c1)C" . "MIGCLPHEGAEITL-UHFFFAOYSA-N" . "InChI=1S/C20H27NO6S/c1-5-10-26-18-15(12-22)11-17(19(21-18)27-13-20(2,3)23)14-6-8-16(9-7-14)28(4,24)25/h6-9,11,22-23H,5,10,12-13H2,1-4H3" . "COc1cc(F)ccc1c1cc(ncc1F)Nc1nccc(c1)C[S@](=O)(=N)C" . "COc1cc(F)ccc1c1cc(Nc2cc(C[S@@](=N)(=O)C)ccn2)ncc1F" . "YZCUMZWULWOUMD-NDEPHWFRSA-N" . "InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m0/s1" . "O=C(Cn1nnc2c(c1=O)cccc2)N[C@H](c1ccc(cc1)OC(F)(F)F)C" . "O=c1c2c(nnn1CC(=O)N[C@@H](C)c1ccc(cc1)OC(F)(F)F)cccc2" . "JZGLECLGVQRPPI-NSHDSACASA-N" . "InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1" . "COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)c1cccc(c1Cl)c1cccc(c1Cl)c1cnc(c(n1)OC)CNC[C@@H]1CCC(=O)N1" . "COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)c1cccc(c1Cl)c1c(c(ccc1)c1cnc(c(n1)OC)CNC[C@@H]1CCC(=O)N1)Cl" . "OIIOPWHTJZYKIL-PMACEKPBSA-N" . "InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m0/s1" . "NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC[C@H]2CC(=O)N[C@H](C(=O)O)CC(=O)O" . "N(C(=N)N)c1ccc(C(=O)Oc2cc3c([C@@H](CO3)CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)cc1" . "PUZUTMLAAWVCCV-WBMJQRKESA-N" . "InChI=1S/C22H22N4O8/c23-22(24)25-13-3-1-11(2-4-13)21(32)34-14-5-6-15-12(10-33-17(15)8-14)7-18(27)26-16(20(30)31)9-19(28)29/h1-6,8,12,16H,7,9-10H2,(H,26,27)(H,28,29)(H,30,31)(H4,23,24,25)/t12-,16+/m1/s1" . "OC(=O)CC1ON=C(C1)c1ccccc1" . "C1C(ON=C1c1ccccc1)CC(=O)O" . "MUFJHYRCIHHATF-UHFFFAOYSA-N" . "InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)" . "Fc1cnc(c(c1)F)COc1cc(C)n(c(=O)c1Cl)c1cc(ncc1C)c1ccnc(n1)C(O)(C)C" . "Cc1cc(OCc2ncc(F)cc2F)c(Cl)c(=O)n1c1cc(ncc1C)c1nc(ncc1)C(C)(C)O" . "FQPQMJULRZINPV-UHFFFAOYSA-N" . "InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3" . "Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)O" . "Clc1c(Nc2c(C(=O)O)ccc(c2F)F)ccc(c1)I" . "XCNBGWKQXRQKSA-UHFFFAOYSA-N" . "InChI=1S/C13H7ClF2INO2/c14-8-5-6(17)1-4-10(8)18-12-7(13(19)20)2-3-9(15)11(12)16/h1-5,18H,(H,19,20)" . "COCc1ccc(cc1)NC(=O)c1c(C#CCN2CCOCC2)n(c2c1c(N)ncn2)C1(C)CC1" . "Nc1c2c(ncn1)n(c(c2C(=O)Nc1ccc(cc1)COC)C#CCN1CCOCC1)C1(CC1)C" . "SFXVRNLGOSAWIV-UHFFFAOYSA-N" . "InChI=1S/C26H30N6O3/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)" . "Cn1nc2c(c1)cc(c(c2)F)C(c1nnc2n1nc(cc2)c1cnn(c1)C1CC1)(F)F" . "Cn1cc2cc(c(cc2n1)F)C(c1nnc2n1nc(cc2)c1cn(nc1)C1CC1)(F)F" . "QHXLXUIZUCJRKV-UHFFFAOYSA-N" . "InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3" . "C=CC(=O)Nc1cc2c(ncnc2cc1OCCN1CCOCC1)Nc1ccc(c(c1)Cl)OCc1ccccn1" . "C=CC(=O)Nc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1ccccn1)Cl)OCCN1CCOCC1" . "HIBPKFXWOPYJPZ-UHFFFAOYSA-N" . "InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)" . "OCCONC(=O)c1cc2scnc2c(c1Nc1ccc(cc1F)I)F" . "Fc1c(c(cc2c1ncs2)C(=O)NOCCO)Nc1c(cc(cc1)I)F" . "UFZJUVFSSINETF-UHFFFAOYSA-N" . "InChI=1S/C16H12F2IN3O3S/c17-10-5-8(19)1-2-11(10)21-14-9(16(24)22-25-4-3-23)6-12-15(13(14)18)20-7-26-12/h1-2,5-7,21,23H,3-4H2,(H,22,24)" . "COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(c(c1)F)F)c1nc(ncc1C)Nc1ccnn1C" . "Fc1cc(ccc1F)CN1C(=O)c2n(C[C@@H]1COC)cc(n2)c1nc(ncc1C)Nc1ccnn1C" . "HVIGNZUDBVLTLU-MRXNPFEDSA-N" . "InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1" . "COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1" . "COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1" . "YBHILYKTIRIUTE-UHFFFAOYSA-N" . "InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1" . "C=CC(=O)Nc1cc(Nc2nccc(n2)Nc2cc(Cl)c(cc2C(O)(C)C)F)c(cc1N1CC[C@H](C1)N(C)C)OC" . "Clc1c(cc(c(Nc2nc(ncc2)Nc2c(cc(c(c2)NC(=O)C=C)N2C[C@@H](CC2)N(C)C)OC)c1)C(C)(C)O)F" . "BTMKEDDEMKKSEF-QGZVFWFLSA-N" . "InChI=1S/C29H35ClFN7O3/c1-7-27(39)34-22-14-23(25(41-6)15-24(22)38-11-9-17(16-38)37(4)5)35-28-32-10-8-26(36-28)33-21-13-19(30)20(31)12-18(21)29(2,3)40/h7-8,10,12-15,17,40H,1,9,11,16H2,2-6H3,(H,34,39)(H2,32,33,35,36)/t17-/m1/s1" . "O=C(Nc1c(F)cc(cc1F)F)Nc1ccc(c(c1)F)c1ccc(c2c1CNC2=O)c1[nH]cc(n1)C" . "Fc1cc(ccc1c1c2CNC(=O)c2c(cc1)c1[nH]cc(n1)C)NC(=O)Nc1c(cc(cc1F)F)F" . "MWHHJYUHCZWSLS-UHFFFAOYSA-N" . "InChI=1S/C25H17F4N5O2/c1-11-9-30-23(32-11)16-5-4-14(17-10-31-24(35)21(16)17)15-3-2-13(8-18(15)27)33-25(36)34-22-19(28)6-12(26)7-20(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)" . "N#CCC1(CN(C1)S(=O)(=O)C1CC1)n1ncc(c1)c1ncnc2c1cc[nH]2" . "C1CC1S(=O)(=O)N1CC(C1)(CC#N)n1cc(cn1)c1c2cc[nH]c2ncn1" . "RVOUEXFKIYNODQ-UHFFFAOYSA-N" . "InChI=1S/C17H17N7O2S/c18-5-4-17(9-23(10-17)27(25,26)13-1-2-13)24-8-12(7-22-24)15-14-3-6-19-16(14)21-11-20-15/h3,6-8,11,13H,1-2,4,9-10H2,(H,19,20,21)" . "[O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1" . "[O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1" . "QUQGQIASFYWKAB-UHFFFAOYSA-N" . "InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24)" . "C=CC(=O)N1CC[C@@H](C1)n1nc(c(c1NC)C(=O)N)C#Cc1cc(OC)cc(c1)OC" . "CNc1c(c(nn1[C@H]1CCN(C1)C(=O)C=C)C#Cc1cc(cc(c1)OC)OC)C(=O)N" . "QFUIJOBJAQBGDH-HNNXBMFYSA-N" . "InChI=1S/C22H25N5O4/c1-5-19(28)26-9-8-15(13-26)27-22(24-2)20(21(23)29)18(25-27)7-6-14-10-16(30-3)12-17(11-14)31-4/h5,10-12,15,24H,1,8-9,13H2,2-4H3,(H2,23,29)/t15-/m0/s1" . "N#Cc1ccnc(c1)c1cn([C@@H](c2cccc(c2)c2ncccn2)C)c(=O)c(c1)C" . "[C@H](C)(n1cc(cc(C)c1=O)c1nccc(c1)C#N)c1cc(ccc1)c1ncccn1" . "XVQSNGJANOEGEE-QGZVFWFLSA-N" . "InChI=1S/C24H19N5O/c1-16-11-21(22-12-18(14-25)7-10-26-22)15-29(24(16)30)17(2)19-5-3-6-20(13-19)23-27-8-4-9-28-23/h3-13,15,17H,1-2H3/t17-/m1/s1" . "COC(=O)N[C@@H](C(C(F)(F)F)(C)C)C(=O)N[C@H]([C@H](CN(Cc1c(F)cc(cc1F)c1ccn(n1)C(F)F)NC(=O)[C@H](C(C(F)(F)F)(C)C)NC(=O)OC)O)Cc1ccc(cc1)C#Cc1cnc(nc1)N1CC2CCC(C1)N2C1COC1" . "CC(C)([C@@H](C(=O)N[C@@H](Cc1ccc(cc1)C#Cc1cnc(nc1)N1CC2CCC(C1)N2C1COC1)[C@H](CN(Cc1c(cc(cc1F)c1nn(cc1)C(F)F)F)NC(=O)[C@H](C(C)(C)C(F)(F)F)NC(=O)OC)O)NC(=O)OC)C(F)(F)F" . "ZTSLYWLHCOINNI-FTEFBJIISA-N" . "InChI=1S/C52H59F10N11O8/c1-49(2,51(57,58)59)41(66-47(77)79-5)43(75)65-39(17-29-10-7-28(8-11-29)9-12-30-20-63-46(64-21-30)70-22-32-13-14-33(23-70)73(32)34-26-81-27-34)40(74)25-71(69-44(76)42(67-48(78)80-6)50(3,4)52(60,61)62)24-35-36(53)18-31(19-37(35)54)38-15-16-72(68-38)45(55)56/h7-8,10-11,15-16,18-21,32-34,39-42,45,74H,13-14,17,22-27H2,1-6H3,(H,65,75)(H,66,77)(H,67,78)(H,69,76)/t32?,33?,39-,40-,41+,42+/m0/s1" . "N#C/C(=C/C(C)(C)C)/C(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "Nc1c2c(ncn1)n(nc2c1c(cc(cc1)Oc1ccccc1)F)[C@H]1CN(CCC1)C(=O)/C(=C/C(C)(C)C)/C#N" . "KZMQPYCXSAGLTB-ZWUNQBBJSA-N" . "InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1" . "OC1CCN(CC1)c1ccc(cc1)Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C" . "Cn1c2ccccc2c(=O)n(c2cnc(nc12)Nc1ccc(cc1)N1CCC(CC1)O)C" . "DFQAJLQXPSPNJE-UHFFFAOYSA-N" . "InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)" . "O=C(c1ccc(cc1C)c1cnn2c1nc(Oc1cccnc1)cc2NCC1CC(C1)(C)O)NC1CC1" . "Cc1c(ccc(c1)c1c2nc(cc(n2nc1)NCC1CC(C1)(C)O)Oc1cnccc1)C(=O)NC1CC1" . "PMQUGSPFUBGJCZ-UHFFFAOYSA-N" . "InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)" . "C[C@@H]1O[C@H](C)CN(C1)c1ncnc(c1)c1n[nH]c2c1cc(cc2)OC1(C)CC1" . "C[C@@H]1CN(C[C@@H](O1)C)c1ncnc(c1)c1n[nH]c2c1cc(cc2)OC1(CC1)C" . "ATUUNJCZCOMUKD-OKILXGFUSA-N" . "InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+" . "O=Cc1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCN(CC1)Cc1nnn(c1)CCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "Cc1c(c(=O)n(c2nc(ncc12)Nc1ncc(cc1)N1CCN(CC1)Cc1cn(nn1)CCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C1CCCC1)C=O" . "MZTSDEMVUMXQFP-UHFFFAOYSA-N" . "InChI=1S/C43H47N13O7/c1-26-31-22-46-43(49-38(31)55(28-5-2-3-6-28)41(61)32(26)25-57)47-35-11-9-29(21-45-35)53-16-14-52(15-17-53)23-27-24-54(51-50-27)18-20-63-19-13-44-33-8-4-7-30-37(33)42(62)56(40(30)60)34-10-12-36(58)48-39(34)59/h4,7-9,11,21-22,24-25,28,34,44H,2-3,5-6,10,12-20,23H2,1H3,(H,48,58,59)(H,45,46,47,49)" . "COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c([nH]1)ccc(c2C)Cl)n1nccn1" . "Cc1c(ccc2c1nc([nH]2)[C@@]1(CCCN1C(=O)c1c(ccc(c1)OC)n1nccn1)C)Cl" . "NBGABHGMJVIVBW-QHCPKHFHSA-N" . "InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCCOCCCOc1ccc(cc1)Nc1ncc(c(n1)NCCCN(C(=O)C1CCC1)C)Br)C(=O)NCc1ccc(cc1)c1scnc1C" . "Cc1c(scn1)c1ccc(cc1)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCCOCCCOc1ccc(cc1)Nc1ncc(c(n1)NCCCN(C)C(=O)C1CCC1)Br)O" . "QMGHHBHPDDAGGO-IIWOMYBWSA-N" . "InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1" . "OCCN1CN(CO)C(=S)N(C1)CO" . "OCCN1CN(CO)C(=S)N(C1)CO" . "ZGUKXHGPXOTTSU-UHFFFAOYSA-N" . "InChI=1S/C7H15N3O3S/c11-2-1-8-3-9(5-12)7(14)10(4-8)6-13/h11-13H,1-6H2" . "COc1ccc2c(c1OP(=O)(O)O)c(=O)cc([nH]2)c1cccc(c1)F" . "COc1ccc2c(c1OP(=O)(O)O)c(=O)cc([nH]2)c1cccc(c1)F" . "ZDWFMAHQGDEALT-UHFFFAOYSA-N" . "InChI=1S/C16H13FNO6P/c1-23-14-6-5-11-15(16(14)24-25(20,21)22)13(19)8-12(18-11)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,18,19)(H2,20,21,22)" . "CN1CCN(CC1)c1ccc(cc1)c1sc2c(c1)c(ncn2)N1CCN(CC1)C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "CN1CCN(c2ccc(cc2)c2cc3c(N4CCN(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)CC4)ncnc3s2)CC1" . "ZYZUOYYVHYGMDE-UHFFFAOYSA-N" . "InChI=1S/C29H29ClF3N7OS/c1-37-8-10-38(11-9-37)21-5-2-19(3-6-21)25-17-22-26(34-18-35-27(22)42-25)39-12-14-40(15-13-39)28(41)36-20-4-7-24(30)23(16-20)29(31,32)33/h2-7,16-18H,8-15H2,1H3,(H,36,41)" . "N#Cc1cnc(nc1N[C@@H]1CC[C@@H](C(C1)(C)C)O)NCc1cncnc1OCC(F)(F)C" . "CC(F)(F)COc1c(CNc2nc(N[C@@H]3CC[C@H](O)C(C)(C)C3)c(cn2)C#N)cncn1" . "FMKGJQHNYMWDFJ-CVEARBPZSA-N" . "InChI=1S/C21H27F2N7O2/c1-20(2)6-15(4-5-16(20)31)29-17-13(7-24)9-26-19(30-17)27-10-14-8-25-12-28-18(14)32-11-21(3,22)23/h8-9,12,15-16,31H,4-6,10-11H2,1-3H3,(H2,26,27,29,30)/t15-,16+/m1/s1" . "Clc1cccc(c1)CN(C(=O)Cn1nnc2c1cccc2)c1ccc(cc1)c1c[nH]cn1" . "Clc1cccc(c1)CN(C(=O)Cn1nnc2ccccc12)c1ccc(cc1)c1c[nH]cn1" . "NQTRFDLUODRJKC-UHFFFAOYSA-N" . "InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)" . "O=C(C1CC1)Nc1ccc(cc1)N(C(=O)Cn1nnc2c1cccc2)Cc1cscc1" . "C1CC1C(=O)Nc1ccc(cc1)N(Cc1cscc1)C(=O)Cn1c2ccccc2nn1" . "OCKMJWOFMCSMEX-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O2S/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-11-12-31-15-16)19-9-7-18(8-10-19)24-23(30)17-5-6-17/h1-4,7-12,15,17H,5-6,13-14H2,(H,24,30)" . "ONC(=O)C[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccccc1" . "C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO" . "OJCFZTVYDSKXNM-GXSJLCMTSA-N" . "InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1" . "SCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1" . "c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)CS" . "DPRJEBOTAKMRQV-IRXDYDNUSA-N" . "InChI=1S/C20H22N2O4S/c23-18(13-27)21-16(11-14-7-3-1-4-8-14)19(24)22-17(20(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,23)(H,22,24)(H,25,26)/t16-,17-/m0/s1" . "O=C(CNC(=O)C(Cc1ccccc1)CSC(=O)C)OCc1ccccc1" . "CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1" . "ODUOJXZPIYUATO-UHFFFAOYSA-N" . "InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)" . "CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NP(=O)(O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)C" . "C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)O)O)O)O" . "ZPHBZEQOLSRPAK-XLCYBJAPSA-N" . "InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1" . "CC(=O)SCCOP(=O)([C@H](c1ccccc1)N)C[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccc(cc1)c1ccccc1" . "N[C@H](P(=O)(OCCSC(=O)C)C[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccc(cc1)c1ccccc1)c1ccccc1" . "PYJMLILRVYLUHW-UNCDKACKSA-N" . "InChI=1S/C37H41N2O6PS/c1-27(37(42)44-25-30-12-6-3-7-13-30)39-36(41)34(24-29-18-20-32(21-19-29)31-14-8-4-9-15-31)26-46(43,45-22-23-47-28(2)40)35(38)33-16-10-5-11-17-33/h3-21,27,34-35H,22-26,38H2,1-2H3,(H,39,41)/t27-,34+,35+,46?/m0/s1" . "CSCC[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccccc1)N" . "C[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)CSSC[C@H](CCSC)N" . "XHWYFTNNIZGHRW-PMOQBDJRSA-N" . "InChI=1S/C25H34N2O3S3/c1-19(25(29)30-16-21-11-7-4-8-12-21)27-24(28)22(15-20-9-5-3-6-10-20)17-32-33-18-23(26)13-14-31-2/h3-12,19,22-23H,13-18,26H2,1-2H3,(H,27,28)/t19-,22+,23-/m0/s1" . "CSCCC(CSSCC(C(=O)N[C@H](C(=O)OCc1ccccc1)Cc1ccccc1)Cc1ccccc1)N" . "CSCCC(CSSCC(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)N" . "QXXMSEVVNUSHKJ-PPUMFKDSSA-N" . "InChI=1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/t27?,28?,29-/m0/s1" . "C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O" . "C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O" . "FVYXIJYOAGAUQK-UHFFFAOYSA-N" . "InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2" . "Fc1cnc2n(c1)nc(c2C(=O)Nc1cncc(c1N1CCC(CC1)C(=O)N1CCN(CC1)C1COC1)F)N" . "C1CN(CCC1C(=O)N1CCN(CC1)C1COC1)c1c(cncc1NC(=O)c1c2ncc(cn2nc1N)F)F" . "QAYHKBLKSXWOEO-UHFFFAOYSA-N" . "InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)" . "Cn1ncc(c1)c1ccc2n(c1)c(cn2)S(=O)(=O)n1ncc2c1cc(cn2)c1cnn(c1)C" . "Cn1ncc(c1)c1ccc2n(c1)c(cn2)S(=O)(=O)n1ncc2c1cc(cn2)c1cnn(c1)C" . "RYBLECYFLJXEJX-UHFFFAOYSA-N" . "InChI=1S/C21H17N9O2S/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17/h3-13H,1-2H3" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)CC(C)C" . "s1c(nc2c1cccc2)C(=O)[C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@H](CC(C)C)NC(=O)c1[nH]c2cccc(c2c1)OC" . "JBLLRCOZJMVOAE-HSQYWUDLSA-N" . "InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1" . "CCCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)C=O" . "CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1" . "PGGUOGKHUUUWAF-ROUUACIJSA-N" . "InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1" . "CC(C[C@@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)NC(=O)OCc1ccccc1)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)NC(=O)OCc1ccccc1)C" . "AJRQIXBBIDPNGK-BVSLBCMMSA-N" . "InChI=1S/C28H32N4O5S/c1-17(2)14-22(32-28(36)37-16-18-8-4-3-5-9-18)26(35)30-21(15-19-12-13-29-25(19)34)24(33)27-31-20-10-6-7-11-23(20)38-27/h3-11,17,19,21-22H,12-16H2,1-2H3,(H,29,34)(H,30,35)(H,32,36)/t19-,21-,22-/m0/s1" . "CCOC(=O)C=CC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O" . "CCOC(=O)C=CC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O" . "WDMSWWUPIMEGNZ-UHFFFAOYSA-N" . "InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)" . "CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)C=O" . "CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)C=O" . "QEJRGURBLQWEOU-FKBYEOEOSA-N" . "InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O" . "QYENXTYKACLCGO-FQECFTEESA-N" . "InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m0/s1" . "O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)CC(C)C)C(C)C)OCc1ccccc1" . "O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)CC(C)C)C(C)C)OCc1ccccc1" . "KSCRVOKQPYZBHZ-IXPOFIJOSA-N" . "InChI=1S/C33H41N5O6S/c1-19(2)16-25(36-31(42)27(20(3)4)38-33(43)44-18-21-10-6-5-7-11-21)30(41)35-24(17-22-14-15-34-29(22)40)28(39)32-37-23-12-8-9-13-26(23)45-32/h5-13,19-20,22,24-25,27H,14-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)(H,38,43)/t22-,24-,25-,27-/m0/s1" . "CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C" . "CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C" . "GGXKWVWZWMLJEH-UHFFFAOYSA-N" . "InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)" . "COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F" . "COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F" . "FWZAWAUZXYCBKZ-NSHDSACASA-N" . "InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1" . "COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl" . "COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl" . "RRRUXBQSQLKHEL-UHFFFAOYSA-N" . "InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)" . "Cn1ncc(c1c1ccc(cn1)C(F)(F)F)c1nc(n2c1c(ncn2)N1CCC1)C" . "Cn1ncc(c1c1ccc(cn1)C(F)(F)F)c1nc(n2c1c(ncn2)N1CCC1)C" . "CLGCHUKGBICQTE-UHFFFAOYSA-N" . "InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3" . "CCCc1nc(c2n1c1nc(OC)ccc1nc2C)C" . "CCCc1nc(c2n1c1nc(OC)ccc1nc2C)C" . "YNADXFWEXJTQSZ-UHFFFAOYSA-N" . "InChI=1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3" . "O=C(Nc1ccccc1)Nc1ccc(cc1)N(S(=O)(=O)c1cnn(c1)c1ccc(cc1)F)C" . "O=C(Nc1ccccc1)Nc1ccc(cc1)N(S(=O)(=O)c1cnn(c1)c1ccc(cc1)F)C" . "NSLIQOPYDUKWTA-UHFFFAOYSA-N" . "InChI=1S/C23H20FN5O3S/c1-28(33(31,32)22-15-25-29(16-22)21-11-7-17(24)8-12-21)20-13-9-19(10-14-20)27-23(30)26-18-5-3-2-4-6-18/h2-16H,1H3,(H2,26,27,30)" . "Fc1cc(ccc1Oc1ccnc2c1ccc(c2)OCC(O)(C)C)NC(=O)c1c(C)n(n(c1=O)c1ccccc1)C" . "Fc1cc(ccc1Oc1ccnc2c1ccc(c2)OCC(O)(C)C)NC(=O)c1c(C)n(n(c1=O)c1ccccc1)C" . "VQYYQSZNRVQLIS-UHFFFAOYSA-N" . "InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)" . "Clc1ccc(cc1)CS(=O)(=O)/C=C/c1ccc(cc1)C(=O)O" . "Clc1ccc(cc1)CS(=O)(=O)/C=C/c1ccc(cc1)C(=O)O" . "KBEKQQJUNVQLDZ-MDZDMXLPSA-N" . "InChI=1S/C16H13ClO4S/c17-15-7-3-13(4-8-15)11-22(20,21)10-9-12-1-5-14(6-2-12)16(18)19/h1-10H,11H2,(H,18,19)/b10-9+" . "Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)NCCN1CCCC1)C)/C(=O)N2" . "Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)NCCN1CCCC1)C)/C(=O)N2" . "SRSGVKWWVXWSJT-ATVHPVEESA-N" . "InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-" . "Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)N[C@H]1CCN(C1)C(=O)N(C)C)C)/C(=O)N2" . "Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)N[C@H]1CCN(C1)C(=O)N(C)C)C)/C(=O)N2" . "KMIOJWCYOHBUJS-HAKPAVFJSA-N" . "InChI=1S/C23H26FN5O3/c1-12-19(10-17-16-9-14(24)5-6-18(16)27-21(17)30)25-13(2)20(12)22(31)26-15-7-8-29(11-15)23(32)28(3)4/h5-6,9-10,15,25H,7-8,11H2,1-4H3,(H,26,31)(H,27,30)/b17-10-/t15-/m0/s1" . "C[C@@H]1OC[C@@H](N(C1)C1CCN(CC1)c1nnc([nH]1)N)Cc1ccc(cc1)Cl" . "C[C@@H]1OC[C@@H](N(C1)C1CCN(CC1)c1nnc([nH]1)N)Cc1ccc(cc1)Cl" . "STWVLEKJQQRGMO-GUYCJALGSA-N" . "InChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1" . "Clc1cc(OCc2scnc2C(F)(F)F)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O" . "Clc1cc(OCc2scnc2C(F)(F)F)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O" . "CMYSAEAJENJTSK-UHFFFAOYSA-N" . "InChI=1S/C26H17ClF3N5O4S/c1-34-11-20(23(36)33-25(34)38)15-7-19(24(37)35(10-15)17-3-2-4-31-9-17)14-5-16(27)8-18(6-14)39-12-21-22(26(28,29)30)32-13-40-21/h2-11,13H,12H2,1H3,(H,33,36,38)" . "Clc1cc(cc(c1F)OCc1ccccc1Cl)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O" . "Clc1cc(cc(c1F)OCc1ccccc1Cl)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O" . "KIJKUSPNZALBLD-UHFFFAOYSA-N" . "InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38)" . "C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O" . "C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O" . "BQVZICWQBFTOJX-QNDZYWSYSA-N" . "InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+,6+,9+/m1/s1" . "N#CCC1(CC(C1)C#N)n1ncc(c1)c1nc(cn2c1ccn2)c1cnn(c1)C" . "N#CCC1(CC(C1)C#N)n1ncc(c1)c1nc(cn2c1ccn2)c1cnn(c1)C" . "XPLZTJWZDBFWDE-UHFFFAOYSA-N" . "InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3" . "CC[C@@H]1NC(=O)[C@H]([C@@H]([C@@H](CCCCCCNC(=O)C)C)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N(C1=O)C)C)C)CC(C)C)C(C)C)C)CC(C)C)C" . "CC[C@@H]1NC(=O)[C@H]([C@@H]([C@@H](CCCCCCNC(=O)C)C)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N(C1=O)C)C)C)CC(C)C)C(C)C)C)CC(C)C)C" . "KBARHGHBFILILC-NGIJKBHDSA-N" . "InChI=1S/C67H122N12O13/c1-26-48-63(88)73(19)46(17)62(87)74(20)50(34-38(4)5)59(84)72-53(41(10)11)66(91)75(21)49(33-37(2)3)58(83)69-44(15)57(82)70-45(16)61(86)76(22)51(35-39(6)7)64(89)77(23)52(36-40(8)9)65(90)78(24)54(42(12)13)67(92)79(25)55(60(85)71-48)56(81)43(14)31-29-27-28-30-32-68-47(18)80/h37-46,48-56,81H,26-36H2,1-25H3,(H,68,80)(H,69,83)(H,70,82)(H,71,85)(H,72,84)/t43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1" . "O=C1CSC(c2c(N1)ccc(c2)Cl)c1ccccc1Cl" . "O=C1CSC(c2c(N1)ccc(c2)Cl)c1ccccc1Cl" . "KQEPIRKXSUIUTH-UHFFFAOYSA-N" . "InChI=1S/C15H11Cl2NOS/c16-9-5-6-13-11(7-9)15(20-8-14(19)18-13)10-3-1-2-4-12(10)17/h1-7,15H,8H2,(H,18,19)" . "COCCOCCN1C(=O)OC2(C1=O)CC1OC2(C)n2c3ccccc3c3c2c2n1c1ccccc1c2c1c3CNC1=O" . "COCCOCCN1C(=O)OC2(C1=O)CC1OC2(C)n2c3ccccc3c3c2c2n1c1ccccc1c2c1c3CNC1=O" . "MTDVEOMKVDOULD-UHFFFAOYSA-N" . "InChI=1S/C32H28N4O7/c1-31-32(29(38)34(30(39)43-32)11-12-41-14-13-40-2)15-22(42-31)35-20-9-5-3-7-17(20)24-25-19(16-33-28(25)37)23-18-8-4-6-10-21(18)36(31)27(23)26(24)35/h3-10,22H,11-16H2,1-2H3,(H,33,37)" . "N#Cc1ccc(c2c1nccc2)N1C[C@H](N)C[C@@H](C1)C(F)(F)F" . "N#Cc1ccc(c2c1nccc2)N1C[C@H](N)C[C@@H](C1)C(F)(F)F" . "BJXYHBKEQFQVES-NWDGAFQWSA-N" . "InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1" . "CCN1CCN(CC1)C(=O)Nc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C" . "CCN1CCN(CC1)C(=O)Nc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C" . "DQAZPZIYEOGZAF-UHFFFAOYSA-N" . "InChI=1S/C24H26N6O2/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30/h1,6-8,13-16H,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27)" . "OC(=O)c1cc(N=Nc2ccc(c(c2)C(=O)O)O)ccc1O" . "OC(=O)c1cc(N=Nc2ccc(c(c2)C(=O)O)O)ccc1O" . "QQBDLJCYGRGAKP-UHFFFAOYSA-N" . "InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COC(=O)c1c(C)cc(nc1C)C)C[C@@H]1CCCNC1=O)CC(C)C" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COC(=O)c1c(C)cc(nc1C)C)C[C@@H]1CCCNC1=O)CC(C)C" . "DVFMRMSQBLLRFB-HRNNMHKYSA-N" . "InChI=1S/C34H43N5O7/c1-18(2)13-26(39-33(43)27-16-23-24(37-27)10-7-11-29(23)45-6)32(42)38-25(15-22-9-8-12-35-31(22)41)28(40)17-46-34(44)30-19(3)14-20(4)36-21(30)5/h7,10-11,14,16,18,22,25-26,37H,8-9,12-13,15,17H2,1-6H3,(H,35,41)(H,38,42)(H,39,43)/t22-,25-,26-/m0/s1" . "ClCCN(c1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)OCC)Cc1ccc(cc1)F)N)CCCl" . "ClCCN(c1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)OCC)Cc1ccc(cc1)F)N)CCCl" . "YQZNKYXGZSVEHI-VXKWHMMOSA-N" . "InChI=1S/C24H30Cl2FN3O3/c1-2-33-24(32)22(16-18-3-7-19(27)8-4-18)29-23(31)21(28)15-17-5-9-20(10-6-17)30(13-11-25)14-12-26/h3-10,21-22H,2,11-16,28H2,1H3,(H,29,31)/t21-,22-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)CCC(=O)O)CC(=O)O)Cc1ccc(cc1)O)[C@H](O)C)CS)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CC(=O)O)Cc1ccc(cc1)O)CO)Cc1[nH]cnc1)CS)CO)CC(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)CCC(=O)O)CC(=O)O)Cc1ccc(cc1)O)[C@H](O)C)CS)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CC(=O)O)Cc1ccc(cc1)O)CO)Cc1[nH]cnc1)CS)CO)CC(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O" . "KIYFMMDRMKTMJU-JMSLXWMVSA-N" . "InChI=1S/C141H187N35O40S2/c1-72(2)50-93(163-133(209)109-24-15-49-176(109)140(216)104(68-178)169-130(206)105(69-217)171-127(203)98(57-81-62-146-71-154-81)162-129(205)103(67-177)168-124(200)95(52-76-28-36-83(182)37-29-76)160-128(204)99(58-116(191)192)155-114(188)66-148-74(4)180)122(198)157-91(21-11-45-147-141(144)145)120(196)159-94(51-75-26-34-82(181)35-27-75)123(199)165-100(53-77-30-38-84(183)39-31-77)137(213)173-46-13-23-108(173)134(210)164-97(56-80-61-150-89-19-8-6-17-87(80)89)126(202)161-96(55-79-60-149-88-18-7-5-16-86(79)88)125(201)156-90(20-9-10-44-142)121(197)170-106(70-218)131(207)172-118(73(3)179)136(212)167-101(54-78-32-40-85(184)41-33-78)138(214)174-47-14-25-110(174)135(211)166-102(59-117(193)194)139(215)175-48-12-22-107(175)132(208)158-92(42-43-115(189)190)119(195)153-65-113(187)152-64-112(186)151-63-111(143)185/h5-8,16-19,26-41,60-62,71-73,90-110,118,149-150,177-179,181-184,217-218H,9-15,20-25,42-59,63-70,142H2,1-4H3,(H2,143,185)(H,146,154)(H,148,180)(H,151,186)(H,152,187)(H,153,195)(H,155,188)(H,156,201)(H,157,198)(H,158,208)(H,159,196)(H,160,204)(H,161,202)(H,162,205)(H,163,209)(H,164,210)(H,165,199)(H,166,211)(H,167,212)(H,168,200)(H,169,206)(H,170,197)(H,171,203)(H,172,207)(H,189,190)(H,191,192)(H,193,194)(H4,144,145,147)/t73-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,118+/m1/s1" . "N#Cc1c(cccc1C(F)(F)F)Cn1c(=O)n(C[C@@H]2CC[C@H](CC2)C(=O)O)c(=O)c2c1cccc2C" . "N#Cc1c(cccc1C(F)(F)F)Cn1c(=O)n(C[C@@H]2CC[C@H](CC2)C(=O)O)c(=O)c2c1cccc2C" . "QDVBJHFEZRTDHU-QAQDUYKDSA-N" . "InChI=1S/C26H24F3N3O4/c1-15-4-2-7-21-22(15)23(33)32(13-16-8-10-17(11-9-16)24(34)35)25(36)31(21)14-18-5-3-6-20(19(18)12-30)26(27,28)29/h2-7,16-17H,8-11,13-14H2,1H3,(H,34,35)/t16-,17-" . "NC(=O)CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CC[C@H]2N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2c1CN(C2=O)C1CCC(=O)NC1=O)NC(=O)c1cc2c([nH]1)ccc(c2)C(=O)P(=O)(O)O" . "NC(=O)CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CC[C@H]2N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2c1CN(C2=O)C1CCC(=O)NC1=O)NC(=O)c1cc2c([nH]1)ccc(c2)C(=O)P(=O)(O)O" . "OHDMEJTVYXXZNQ-OPKPGBGESA-N" . "InChI=1S/C59H62N9O13P/c60-49(69)27-24-44(53(72)65-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37)62-56(75)48-25-22-40-29-30-66(34-46(58(77)68(40)48)63-54(73)45-32-39-31-38(21-23-43(39)61-45)59(78)82(79,80)81)51(71)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-67(57(41)76)47-26-28-50(70)64-55(47)74/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,61H,1-3,11,20,22,24-30,33-34H2,(H2,60,69)(H,62,75)(H,63,73)(H,65,72)(H,64,70,74)(H2,79,80,81)/t40-,44+,46+,47?,48+/m1/s1" . "CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C" . "CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C" . "GVOISEJVFFIGQE-YCZSINBZSA-N" . "InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1" . "CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C" . "CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C" . "QAPTWHXHEYAIKG-RCOXNQKVSA-N" . "InChI=1S/C25H33F3N6O2/c1-14(35)31-20-12-16(33-24(2,3)4)6-8-21(20)34-10-9-19(23(34)36)32-22-17-11-15(25(26,27)28)5-7-18(17)29-13-30-22/h5,7,11,13,16,19-21,33H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t16-,19+,20-,21+/m1/s1" . "Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1" . "Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1" . "QWCJHSGMANYXCW-UHFFFAOYSA-N" . "InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2c[nH]c3c2cccc3)c(cc1N(CCN(C)C)C)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2c[nH]c3c2cccc3)c(cc1N(CCN(C)C)C)OC" . "IQNVEOMHJHBNHC-UHFFFAOYSA-N" . "InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)" . "CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C" . "CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C" . "ACCMWZWAEFYUGZ-UHFFFAOYSA-N" . "InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1C[C@@H]2CCC[C@H](C1)C2)CC(C)C)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1C[C@@H]2CCC[C@H](C1)C2)CC(C)C)C[C@@H]1CCNC1=O" . "YHWWOAJOMPQXED-LEDIMMKISA-N" . "InChI=1S/C24H39N3O5/c1-15(2)8-21(23(30)26-20(13-28)12-19-6-7-25-22(19)29)27-24(31)32-14-18-10-16-4-3-5-17(9-16)11-18/h13,15-21H,3-12,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/t16-,17+,18?,19-,20-,21-/m0/s1" . "C#Cc1ccnc(n1)C#Cc1ccc2c(c1)n(cn2)c1ccnc(n1)N" . "C#Cc1ccnc(n1)C#Cc1ccc2c(c1)n(cn2)c1ccnc(n1)N" . "WHGGGFMSJFAYSV-UHFFFAOYSA-N" . "InChI=1S/C19H11N7/c1-2-14-7-9-21-17(24-14)6-4-13-3-5-15-16(11-13)26(12-23-15)18-8-10-22-19(20)25-18/h1,3,5,7-12H,(H2,20,22,25)" . "Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H](O)[C@H]([C@@H]2O)O)C" . "Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H](O)[C@H]([C@@H]2O)O)C" . "AJIPIJNNOJSSQC-NYLIRDPKSA-N" . "InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1" . "OC(=O)C1CC2CCC(C1)N2[C@H](c1ccc2c(c1)c(c(cc2)OC1CCC(CC1)C(F)(F)F)C(F)(F)F)C" . "OC(=O)C1CC2CCC(C1)N2[C@H](c1ccc2c(c1)c(c(cc2)OC1CCC(CC1)C(F)(F)F)C(F)(F)F)C" . "PZASAAIJIFDWSB-CKPDSHCKSA-N" . "InChI=1S/C28H31F6NO3/c1-15(35-20-7-8-21(35)13-18(12-20)26(36)37)17-3-2-16-4-11-24(25(23(16)14-17)28(32,33)34)38-22-9-5-19(6-10-22)27(29,30)31/h2-4,11,14-15,18-22H,5-10,12-13H2,1H3,(H,36,37)/t15-,18?,19?,20?,21?,22?/m0/s1" . "ClCC(=O)Nc1c(sc(=S)n1c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(OC)ccc1OC" . "ClCC(=O)Nc1c(sc(=S)n1c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(OC)ccc1OC" . "SPVXUJWQZXMNES-UHFFFAOYSA-N" . "InChI=1S/C21H17ClF3N3O4S2/c1-31-13-7-8-15(32-2)14(9-13)26-19(30)17-18(27-16(29)10-22)28(20(33)34-17)12-5-3-11(4-6-12)21(23,24)25/h3-9H,10H2,1-2H3,(H,26,30)(H,27,29)" . "N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)N1CCN(CC1)C(=O)CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)N1CCN(CC1)C(=O)CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "UMEMOEKJTJMMJN-UHFFFAOYSA-N" . "InChI=1S/C40H37N7O6/c1-4-22-17-25-26(40(2,3)36-34(35(25)50)23-9-8-21(19-41)16-28(23)43-36)18-30(22)45-12-14-46(15-13-45)32(49)20-42-27-7-5-6-24-33(27)39(53)47(38(24)52)29-10-11-31(48)44-37(29)51/h5-9,16-18,29,42-43H,4,10-15,20H2,1-3H3,(H,44,48,51)" . "NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NN[C@@H](C)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCC1)Cc1[nH]cnc1" . "NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NN[C@@H](C)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCC1)Cc1[nH]cnc1" . "OYWQJZAVFWOOBF-WBMPNIIXSA-N" . "InChI=1S/C84H118N24O21S2/c1-44-70(116)102-62-41-130-131-42-63(77(123)98-57(35-46-14-20-50(110)21-15-46)69(115)68(114)53(10-5-31-91-84(88)89)94-73(119)56(28-30-86)97-79(125)64-11-6-32-106(64)81(127)45(2)93-76(122)61(40-109)101-78(62)124)103-74(120)58(36-47-16-22-51(111)23-17-47)99-72(118)55(26-27-67(87)113)95-71(117)54(9-3-4-29-85)96-80(126)65-12-7-33-107(65)83(129)66-13-8-34-108(66)82(128)60(37-48-18-24-52(112)25-19-48)100-75(121)59(105-104-44)38-49-39-90-43-92-49/h14-25,39,43-45,53-66,104-105,109-112H,3-13,26-38,40-42,85-86H2,1-2H3,(H2,87,113)(H,90,92)(H,93,122)(H,94,119)(H,95,117)(H,96,126)(H,97,125)(H,98,123)(H,99,118)(H,100,121)(H,101,124)(H,102,116)(H,103,120)(H4,88,89,91)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66-/m0/s1" . "CN(CC1CCOC1(c1ccccc1)c1ccccc1)C" . "CN(CC1CCOC1(c1ccccc1)c1ccccc1)C" . "BOTHKNZTGGXFEQ-UHFFFAOYSA-N" . "InChI=1S/C19H23NO/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3" . "O=C(N[C@H](C(=O)O)CC(=O)O)Cc1cc(c2nc3c([nH]2)cc(cc3)C(=N)N)c(c(c1)c1cc(ccc1O)S(=O)(=O)N)O" . "O=C(N[C@H](C(=O)O)CC(=O)O)Cc1cc(c2nc3c([nH]2)cc(cc3)C(=N)N)c(c(c1)c1cc(ccc1O)S(=O)(=O)N)O" . "WDJHHCAKBRKCLW-IBGZPJMESA-N" . "InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1" . "COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(=N)N)c1ccc(nc1C(=O)O)C(=O)NCC1CC1" . "COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(=N)N)c1ccc(nc1C(=O)O)C(=O)NCC1CC1" . "TUWMKPVJGGWGNL-UHFFFAOYSA-N" . "InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)" . "N#C[C@@H]1CCCN1C(=O)CNC(CNC(=O)c1cnc2n(c1)nc(c2)C)(C)C" . "N#C[C@@H]1CCCN1C(=O)CNC(CNC(=O)c1cnc2n(c1)nc(c2)C)(C)C" . "LDXYBEHACFJIEL-HNNXBMFYSA-N" . "InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1" . "CCCOc1ccc(cc1c1nc2c(CCC)nn(c2c(=O)[nH]1)C)S(=O)(=O)NCCC1CCCN1C" . "CCCOc1ccc(cc1c1nc2c(CCC)nn(c2c(=O)[nH]1)C)S(=O)(=O)NCCC1CCCN1C" . "IYFNEFQTYQPVOC-UHFFFAOYSA-N" . "InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)" . "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O" . "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O" . "YKPUWZUDDOIDPM-VURMDHGXSA-N" . "InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-" . "Fc1cc(F)c(c(c1)F)CNC(=O)c1cn2C[C@H]3O[C@@H]4CC[C@H](N3C(=O)c2c(c1=O)O)C4" . "Fc1cc(F)c(c(c1)F)CNC(=O)c1cn2C[C@H]3O[C@@H]4CC[C@H](N3C(=O)c2c(c1=O)O)C4" . "SOLUWJRYJLAZCX-LYOVBCGYSA-N" . "InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1" . "OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C" . "OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C" . "JUZYLCPPVHEVSV-LJQANCHMSA-N" . "InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1" . "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1" . "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1" . "OBMNJSNZOWALQB-NCQNOWPTSA-N" . "InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1" . "CCCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CS(=O)(=O)C(C)(C)C" . "CCCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CS(=O)(=O)C(C)(C)C" . "RICZEKWVNZFTNZ-LFGITCQGSA-N" . "InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1" . "Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(NC(=O)c1nnc(o1)C)(C)C" . "Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(NC(=O)c1nnc(o1)C)(C)C" . "CZFFBEXEKNGXKS-UHFFFAOYSA-N" . "InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)" . "CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCc1c3CN(C(=O)O2)Cc3ccc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1" . "CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCc1c3CN(C(=O)O2)Cc3ccc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1" . "KUQWGLQLLVFLSM-ONAXAZCASA-N" . "InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1" . "OC(=O)CCNC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O" . "OC(=O)CCNC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O" . "IPOKCKJONYRRHP-UHFFFAOYSA-N" . "InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)" . "Cc1ccc2c(c1Nc1ncccc1c1ncnc3c1[nH]cn3)ccnc2Nc1cccc(c1)OC(F)(F)F" . "Cc1ccc2c(c1Nc1ncccc1c1ncnc3c1[nH]cn3)ccnc2Nc1cccc(c1)OC(F)(F)F" . "FZPYULHBUBXPIG-UHFFFAOYSA-N" . "InChI=1S/C27H19F3N8O/c1-15-7-8-19-18(9-11-32-24(19)37-16-4-2-5-17(12-16)39-27(28,29)30)21(15)38-25-20(6-3-10-31-25)22-23-26(35-13-33-22)36-14-34-23/h2-14H,1H3,(H,31,38)(H,32,37)(H,33,34,35,36)" . "FC(Oc1cc(cnc1N)c1cc(nc(n1)N1CCC(C1)(F)F)N1C[C@@H]2C[C@H]1CO2)F" . "FC(Oc1cc(cnc1N)c1cc(nc(n1)N1CCC(C1)(F)F)N1C[C@@H]2C[C@H]1CO2)F" . "SKMKJBYBPYBDMN-RYUDHWBXSA-N" . "InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1" . "CCCC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CCCCC" . "CCCC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CCCCC" . "XAZZJHQEPVCAEX-RRTYAWIHSA-N" . "InChI=1S/C26H47N3O5/c1-8-10-12-14-21(30)29-22(18(5)6)25(33)27-19(13-11-9-2)24(32)28-20(15-17(3)4)23(31)26(7)16-34-26/h17-20,22H,8-16H2,1-7H3,(H,27,33)(H,28,32)(H,29,30)/t19-,20-,22+,26+/m0/s1" . "Fc1ccc(cc1)Cc1nnnn1C(=O)N(C)C" . "Fc1ccc(cc1)Cc1nnnn1C(=O)N(C)C" . "CKOZVEHVVHCMGD-UHFFFAOYSA-N" . "InChI=1S/C11H12FN5O/c1-16(2)11(18)17-10(13-14-15-17)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3" . "O=C(C1=C(C)N(C)c2n(C1(C)C)nnn2)Nc1ccc2c(c1)c(n[nH]2)c1ccccc1" . "O=C(C1=C(C)N(C)c2n(C1(C)C)nnn2)Nc1ccc2c(c1)c(n[nH]2)c1ccccc1" . "KHSAHYKLUPESPP-UHFFFAOYSA-N" . "InChI=1S/C22H22N8O/c1-13-18(22(2,3)30-21(29(13)4)26-27-28-30)20(31)23-15-10-11-17-16(12-15)19(25-24-17)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,23,31)(H,24,25)" . "CN(C/C=C/C(=O)N1CCc2c(C1)ccc(c2)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C" . "CN(C/C=C/C(=O)N1CCc2c(C1)ccc(c2)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C" . "SURRDPSGERGIIM-VOTSOKGWSA-N" . "InChI=1S/C26H33N7O/c1-18(2)33-17-22(15-28-33)25-19(3)14-27-26(30-25)29-23-9-8-21-16-32(12-10-20(21)13-23)24(34)7-6-11-31(4)5/h6-9,13-15,17-18H,10-12,16H2,1-5H3,(H,27,29,30)/b7-6+" . "Oc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)c(c(c2)O)O" . "Oc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)c(c(c2)O)O" . "DFURNQJNFBMYHM-UHFFFAOYSA-N" . "InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H" . "C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2" . "C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2" . "INVGWHRKADIJHF-UHFFFAOYSA-N" . "InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cc2c(cc1SCc1ccco1)n(c(=O)n2C)C" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cc2c(cc1SCc1ccco1)n(c(=O)n2C)C" . "YTVRQZGDIKFCPL-UHFFFAOYSA-N" . "InChI=1S/C25H27N3O3S/c1-25(2,3)17-10-8-16(9-11-17)23(29)26-19-13-20-21(28(5)24(30)27(20)4)14-22(19)32-15-18-7-6-12-31-18/h6-14H,15H2,1-5H3,(H,26,29)" . "Cc1ccc(cc1)NC(=O)c1cc(nc2c1cccc2)c1ccc(o1)C" . "Cc1ccc(cc1)NC(=O)c1cc(nc2c1cccc2)c1ccc(o1)C" . "OBTZDIRUQWFRFZ-UHFFFAOYSA-N" . "InChI=1S/C22H18N2O2/c1-14-7-10-16(11-8-14)23-22(25)18-13-20(21-12-9-15(2)26-21)24-19-6-4-3-5-17(18)19/h3-13H,1-2H3,(H,23,25)" . "CCOC(=O)/C=C/SC(=C(C(=O)N)C#N)S/C=C/C(=O)OCC" . "CCOC(=O)/C=C/SC(=C(C(=O)N)C#N)S/C=C/C(=O)OCC" . "NLFBCYMMUAKCPC-KQQUZDAGSA-N" . "InChI=1S/C14H16N2O5S2/c1-3-20-11(17)5-7-22-14(10(9-15)13(16)19)23-8-6-12(18)21-4-2/h5-8H,3-4H2,1-2H3,(H2,16,19)/b7-5+,8-6+" . "Cc1ccc(cc1)S(=O)(=O)C(C(=O)c1ccc(cc1)Cl)CC(=O)c1ccc(cc1)Cl" . "Cc1ccc(cc1)S(=O)(=O)C(C(=O)c1ccc(cc1)Cl)CC(=O)c1ccc(cc1)Cl" . "HTSGKJQDMSTCGS-UHFFFAOYSA-N" . "InChI=1S/C23H18Cl2O4S/c1-15-2-12-20(13-3-15)30(28,29)22(23(27)17-6-10-19(25)11-7-17)14-21(26)16-4-8-18(24)9-5-16/h2-13,22H,14H2,1H3" . "O=C(/C=C/c1ccc(o1)C)NCC(CNC(=O)/C=C/c1ccc(o1)C)(C)C" . "O=C(/C=C/c1ccc(o1)C)NCC(CNC(=O)/C=C/c1ccc(o1)C)(C)C" . "TVCXEKBERMLWAZ-WGDLNXRISA-N" . "InChI=1S/C21H26N2O4/c1-15-5-7-17(26-15)9-11-19(24)22-13-21(3,4)14-23-20(25)12-10-18-8-6-16(2)27-18/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)/b11-9+,12-10+" . "COc1c[n]c(c[n]1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SC[C@@H]2CN(C1)c1[n]cc(c[n]1)F)F" . "COc1c[n]c(c[n]1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SC[C@@H]2CN(C1)c1[n]cc(c[n]1)F)F" . "VQSRKMNBWMHJKY-YTEVENLXSA-N" . "InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1" . "CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](Cn1ccc(nc1=O)N)CO)O" . "CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](Cn1ccc(nc1=O)N)CO)O" . "WXJFKKQWPMNTIM-VWLOTQADSA-N" . "InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1" . "COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN(C)C)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)C(=O)N" . "COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN(C)C)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)C(=O)N" . "MXHZAYVEIKSPIA-ZHACJKMWSA-N" . "InChI=1S/C40H49N13O6/c1-8-52-29(17-23(3)47-52)37(56)45-39-43-27-19-25(35(41)54)21-31(58-7)33(27)50(39)14-10-11-15-51-34-28(20-26(36(42)55)22-32(34)59-16-12-13-49(5)6)44-40(51)46-38(57)30-18-24(4)48-53(30)9-2/h10-11,17-22H,8-9,12-16H2,1-7H3,(H2,41,54)(H2,42,55)(H,43,45,56)(H,44,46,57)/b11-10+" . "O=C(c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)N[C@@H](c1ncn[nH]1)C" . "O=C(c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)N[C@@H](c1ncn[nH]1)C" . "JUBPRXDFKLPILK-LLVKDONJSA-N" . "InChI=1S/C19H19F3N6O/c1-10-13(8-24-15(10)17(29)27-11(2)16-25-9-26-28-16)18(5-6-18)12-3-4-14(23-7-12)19(20,21)22/h3-4,7-9,11,24H,5-6H2,1-2H3,(H,27,29)(H,25,26,28)/t11-/m1/s1" . "N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)OCCc1cccs1" . "N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)OCCc1cccs1" . "KCGLTUBCAGZLHP-XYOKQWHBSA-N" . "InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+" . "O=C(N[C@@H](B(O)O)C)CNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C1CCCC1)NC(=O)C" . "O=C(N[C@@H](B(O)O)C)CNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C1CCCC1)NC(=O)C" . "VFMMJZMQRGSBSO-HFBAOOFYSA-N" . "InChI=1S/C18H33BN4O6/c1-10(2)15(17(26)20-9-14(25)21-11(3)19(28)29)23-18(27)16(22-12(4)24)13-7-5-6-8-13/h10-11,13,15-16,28-29H,5-9H2,1-4H3,(H,20,26)(H,21,25)(H,22,24)(H,23,27)/t11-,15-,16-/m1/s1" . "O=C(NC(c1csc(n1)c1ccc(cc1)F)(C)C)O[C@@H]1CN2CCC1CC2" . "O=C(NC(c1csc(n1)c1ccc(cc1)F)(C)C)O[C@@H]1CN2CCC1CC2" . "YFHRCLAKZBDRHN-MRXNPFEDSA-N" . "InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1" . "CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F" . "CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F" . "BFDBKMOZYNOTPK-UHFFFAOYSA-N" . "InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3" . "C=CC(=O)N1C(=O)CC(Sc2c1cccc2)c1ccc(cc1)F" . "C=CC(=O)N1C(=O)CC(Sc2c1cccc2)c1ccc(cc1)F" . "DJUQPBPAHPCBBX-UHFFFAOYSA-N" . "InChI=1S/C18H14FNO2S/c1-2-17(21)20-14-5-3-4-6-15(14)23-16(11-18(20)22)12-7-9-13(19)10-8-12/h2-10,16H,1,11H2" . "COc1nc(C(=O)NC[C@@](C(F)(F)F)(O)C)c(cc1C(F)(F)F)N" . "COc1nc(C(=O)NC[C@@](C(F)(F)F)(O)C)c(cc1C(F)(F)F)N" . "USHQRIKZLHNPQR-JTQLQIEISA-N" . "InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1" . "Cc1ccc2c(c1NC(=O)c1csc3c1ncnc3N)ccnc2Nc1cccc(c1F)Cl" . "Cc1ccc2c(c1NC(=O)c1csc3c1ncnc3N)ccnc2Nc1cccc(c1F)Cl" . "KVCQTKNUUQOELD-UHFFFAOYSA-N" . "InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)" . "CN1CCN(CC1)C(=O)Nc1cc(CNC(=O)C2CCN(CC2)[C@@H](c2cccc3c2cccc3)C)cc(c1)F" . "CN1CCN(CC1)C(=O)Nc1cc(CNC(=O)C2CCN(CC2)[C@@H](c2cccc3c2cccc3)C)cc(c1)F" . "ZGUISYSWQQIAHK-JOCHJYFZSA-N" . "InChI=1S/C31H38FN5O2/c1-22(28-9-5-7-24-6-3-4-8-29(24)28)36-12-10-25(11-13-36)30(38)33-21-23-18-26(32)20-27(19-23)34-31(39)37-16-14-35(2)15-17-37/h3-9,18-20,22,25H,10-17,21H2,1-2H3,(H,33,38)(H,34,39)/t22-/m1/s1" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCNS(=O)(=O)Nc1cccc(c1)c1nc2n(c1)cc(cc2)C(=O)NC1CCC1" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCNS(=O)(=O)Nc1cccc(c1)c1nc2n(c1)cc(cc2)C(=O)NC1CCC1" . "WPVVPCVQEBQVLL-UHFFFAOYSA-N" . "InChI=1S/C39H42N8O11S/c48-33-13-11-30(37(51)44-33)47-38(52)28-8-3-9-31(35(28)39(47)53)58-23-34(49)40-14-16-56-18-19-57-17-15-41-59(54,55)45-27-7-1-4-24(20-27)29-22-46-21-25(10-12-32(46)43-29)36(50)42-26-5-2-6-26/h1,3-4,7-10,12,20-22,26,30,41,45H,2,5-6,11,13-19,23H2,(H,40,49)(H,42,50)(H,44,48,51)" . "O=C(c1ccc2n(c1)cc(n2)c1cccc(c1)NS(=O)(=O)NCCN1CCCCC1)NC1CCC1" . "O=C(c1ccc2n(c1)cc(n2)c1cccc(c1)NS(=O)(=O)NCCN1CCCCC1)NC1CCC1" . "GPMTWAPXRJMXCC-UHFFFAOYSA-N" . "InChI=1S/C25H32N6O3S/c32-25(27-21-7-5-8-21)20-10-11-24-28-23(18-31(24)17-20)19-6-4-9-22(16-19)29-35(33,34)26-12-15-30-13-2-1-3-14-30/h4,6,9-11,16-18,21,26,29H,1-3,5,7-8,12-15H2,(H,27,32)" . "ClCC(=O)N(C1CCS(=O)(=O)C1)CC(C)(C)C" . "ClCC(=O)N(C1CCS(=O)(=O)C1)CC(C)(C)C" . "NMHVAHHYKGXBMY-UHFFFAOYSA-N" . "InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3" . "O=C(c1ccc(cc1)NC(=O)c1oc2c(c1)cccc2)Nc1ccc(cc1)c1oc2c(n1)cccc2" . "O=C(c1ccc(cc1)NC(=O)c1oc2c(c1)cccc2)Nc1ccc(cc1)c1oc2c(n1)cccc2" . "ALQIZRCPSILFNQ-UHFFFAOYSA-N" . "InChI=1S/C29H19N3O4/c33-27(30-21-15-11-19(12-16-21)29-32-23-6-2-4-8-25(23)36-29)18-9-13-22(14-10-18)31-28(34)26-17-20-5-1-3-7-24(20)35-26/h1-17H,(H,30,33)(H,31,34)" . "OC[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)Cc1ccccc1" . "OC[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)Cc1ccccc1" . "TWWFCOBVAKAKIT-SXYSDOLCSA-N" . "InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1" . "N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F" . "N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F" . "RIIKDGPBTPECSW-UHFFFAOYSA-N" . "InChI=1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31)" . "CC(CN(S(=O)(=O)c1scc(n1)C)c1cc2CCCc2cc1OCc1ccc(cc1)C(=O)O)C" . "CC(CN(S(=O)(=O)c1scc(n1)C)c1cc2CCCc2cc1OCc1ccc(cc1)C(=O)O)C" . "IOXMDBQCUCDLAF-UHFFFAOYSA-N" . "InChI=1S/C25H28N2O5S2/c1-16(2)13-27(34(30,31)25-26-17(3)15-33-25)22-11-20-5-4-6-21(20)12-23(22)32-14-18-7-9-19(10-8-18)24(28)29/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,28,29)" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O" . "MENQCIVHHONJLU-YZRLXODZSA-N" . "InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "AURFZBICLPNKBZ-YZRLXODZSA-N" . "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1" . "NC(=N)NCCC[C@@H](C(=O)c1nc2c(s1)cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CCC(=O)N)Cc1ccccc1" . "NC(=N)NCCC[C@@H](C(=O)c1nc2c(s1)cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CCC(=O)N)Cc1ccccc1" . "ZEPMYXYJCBQSLH-VABKMULXSA-N" . "InChI=1S/C31H39N9O6S/c1-18(41)36-17-26(43)37-22(13-14-25(32)42)28(45)39-23(16-19-8-3-2-4-9-19)29(46)38-21(11-7-15-35-31(33)34)27(44)30-40-20-10-5-6-12-24(20)47-30/h2-6,8-10,12,21-23H,7,11,13-17H2,1H3,(H2,32,42)(H,36,41)(H,37,43)(H,38,46)(H,39,45)(H4,33,34,35)/t21-,22-,23-/m0/s1" . "COc1ccc(c(c1)N1CCC(CC1)COc1nccc(c1)[C@H](C1CC1)CC(=O)O)C(=O)N(c1cccc(n1)C)CC(C)(C)C" . "COc1ccc(c(c1)N1CCC(CC1)COc1nccc(c1)[C@H](C1CC1)CC(=O)O)C(=O)N(c1cccc(n1)C)CC(C)(C)C" . "VVRXREQIOCYUKN-PMERELPUSA-N" . "InChI=1S/C36H46N4O5/c1-24-7-6-8-32(38-24)40(23-36(2,3)4)35(43)29-12-11-28(44-5)20-31(29)39-17-14-25(15-18-39)22-45-33-19-27(13-16-37-33)30(21-34(41)42)26-9-10-26/h6-8,11-13,16,19-20,25-26,30H,9-10,14-15,17-18,21-23H2,1-5H3,(H,41,42)/t30-/m0/s1" . "O=C(c1cc(=O)n2c(n1)cccc2)NCc1cn2c(n1)ccc(c2)CNCC1CCCCC1" . "O=C(c1cc(=O)n2c(n1)cccc2)NCc1cn2c(n1)ccc(c2)CNCC1CCCCC1" . "OBERVORNENYOLE-UHFFFAOYSA-N" . "InChI=1S/C25H28N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)" . "N#Cc1cc(CN2CC[C@H](C2)C(=O)O)cc2c1oc(n2)c1cccc(c1C)c1cccc(c1C)Nc1nccc2c1ncc(c2)CN1CC[C@H](C1)O" . "N#Cc1cc(CN2CC[C@H](C2)C(=O)O)cc2c1oc(n2)c1cccc(c1C)c1cccc(c1C)Nc1nccc2c1ncc(c2)CN1CC[C@H](C1)O" . "QARLNMDDSQMINK-BVRKHOPBSA-N" . "InChI=1S/C41H39N7O4/c1-24-32(5-3-7-34(24)40-46-36-17-26(15-30(18-42)38(36)52-40)20-47-13-10-29(22-47)41(50)51)33-6-4-8-35(25(33)2)45-39-37-28(9-12-43-39)16-27(19-44-37)21-48-14-11-31(49)23-48/h3-9,12,15-17,19,29,31,49H,10-11,13-14,20-23H2,1-2H3,(H,43,45)(H,50,51)/t29-,31-/m1/s1" . "O=C([C@@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1" . "O=C([C@@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1" . "YSBGRVXJEMSEQY-DEOSSOPVSA-N" . "InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1" . "CNC(=O)c1ccc(cn1)N1CCN(CC1)Cc1cnc2c(c1)[nH]c(=O)c(c2)CC" . "CNC(=O)c1ccc(cn1)N1CCN(CC1)Cc1cnc2c(c1)[nH]c(=O)c(c2)CC" . "WQAVGRAETZEADU-UHFFFAOYSA-N" . "InChI=1S/C22H26N6O2/c1-3-16-11-19-20(26-21(16)29)10-15(12-24-19)14-27-6-8-28(9-7-27)17-4-5-18(25-13-17)22(30)23-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,23,30)(H,26,29)" . "COCc1nn(c(c1)C(=O)Nc1n[nH]c(c1)[C@H]1CC[C@H](C1)OC(=O)NC(C)C)C" . "COCc1nn(c(c1)C(=O)Nc1n[nH]c(c1)[C@H]1CC[C@H](C1)OC(=O)NC(C)C)C" . "MTNBRBDFNSGQKB-GXTWGEPZSA-N" . "InChI=1S/C19H28N6O4/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t12-,14+/m0/s1" . "CCc1onc(n1)c1ccc2c(c1)CC[C@H]2NC(=O)c1cnn(c1)C" . "CCc1onc(n1)c1ccc2c(c1)CC[C@H]2NC(=O)c1cnn(c1)C" . "IOVAZWDIRCRMTM-OAHLLOKOSA-N" . "InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1" . "Cc1ncccc1c1cc2OC[C@H]3COc4c3c(CNc2n2c1nnc2)c(F)cc4" . "Cc1ncccc1c1cc2OC[C@H]3COc4c3c(CNc2n2c1nnc2)c(F)cc4" . "JQBUTSBIFNKJMW-CYBMUJFWSA-N" . "InChI=1S/C22H18FN5O2/c1-12-14(3-2-6-24-12)15-7-19-22(28-11-26-27-21(15)28)25-8-16-17(23)4-5-18-20(16)13(9-29-18)10-30-19/h2-7,11,13,25H,8-10H2,1H3/t13-/m1/s1" . "OCCCC/C=C/CCCCCCC/C=C/CCCCC(=O)N[C@H](C(=O)[O-])CC(=O)[O-]" . "OCCCC/C=C/CCCCCCC/C=C/CCCCC(=O)N[C@H](C(=O)[O-])CC(=O)[O-]" . "YOJFRYNVBRTSNN-WYCJAXOMSA-L" . "InChI=1S/C24H41NO6/c26-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(27)25-21(24(30)31)20-23(28)29/h8-11,21,26H,1-7,12-20H2,(H,25,27)(H,28,29)(H,30,31)/p-2/b10-8-,11-9-/t21-/m0/s1" . "Clc1cncc(c1)OC(=O)c1[nH]c2c(c1)cc(cc2)Cl" . "Clc1cncc(c1)OC(=O)c1[nH]c2c(c1)cc(cc2)Cl" . "WGTDTRRECQYDFW-UHFFFAOYSA-N" . "InChI=1S/C14H8Cl2N2O2/c15-9-1-2-12-8(3-9)4-13(18-12)14(19)20-11-5-10(16)6-17-7-11/h1-7,18H" . "O=C1NS(=O)(=O)c2c1cccc2" . "O=C1NS(=O)(=O)c2c1cccc2" . "CVHZOJJKTDOEJC-UHFFFAOYSA-N" . "InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)" . "CCC[C@H](C(=O)N[C@H](B(O)O)CCCc1ccccc1)NC(=O)c1cnccn1" . "CCC[C@H](C(=O)N[C@H](B(O)O)CCCc1ccccc1)NC(=O)c1cnccn1" . "KSQVGVMZECCPAT-AEFFLSMTSA-N" . "InChI=1S/C20H27BN4O4/c1-2-7-16(24-20(27)17-14-22-12-13-23-17)19(26)25-18(21(28)29)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,16,18,28-29H,2,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t16-,18+/m1/s1" . "N#CN(N(C(=O)[C@@H](NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC)Cc1ccccc1)C)CCC(=O)N" . "N#CN(N(C(=O)[C@@H](NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC)Cc1ccccc1)C)CCC(=O)N" . "JGNSKMJHNUAKGY-OHSXHVKISA-N" . "InChI=1S/C32H43N7O6/c1-6-24(36-31(44)45-20-23-15-11-8-12-16-23)28(41)37-27(32(2,3)4)29(42)35-25(19-22-13-9-7-10-14-22)30(43)38(5)39(21-33)18-17-26(34)40/h7-16,24-25,27H,6,17-20H2,1-5H3,(H2,34,40)(H,35,42)(H,36,44)(H,37,41)/t24-,25-,27+/m0/s1" . "O=C(c1cccnc1c1ccncc1)N1CCC(CC1)(O)Cc1ccccc1" . "O=C(c1cccnc1c1ccncc1)N1CCC(CC1)(O)Cc1ccccc1" . "XKUZMIUSBMCVPP-UHFFFAOYSA-N" . "InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2" . "O=C(c1csc(c1)[C@@H]1C[C@H]1NCC1CC1)NC1CCOCC1" . "O=C(c1csc(c1)[C@@H]1C[C@H]1NCC1CC1)NC1CCOCC1" . "QZNGFWQWWSECMG-HUUCEWRRSA-N" . "InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1" . "CN1CCN(CC1)C(=O)N[C@H](C(=O)N[C@H](CCS(=O)(=O)c1ccccc1)CCc1ccccc1)Cc1ccccc1" . "CN1CCN(CC1)C(=O)N[C@H](C(=O)N[C@H](CCS(=O)(=O)c1ccccc1)CCc1ccccc1)Cc1ccccc1" . "VZSXPUDQSLKVIR-JDXGNMNLSA-N" . "InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1" . "Fc1ccc(c(c1)F)OC1CCN(CC1)c1nc2CCN(Cc2nc1N[C@H]1COCC1)C(=O)C" . "Fc1ccc(c(c1)F)OC1CCN(CC1)c1nc2CCN(Cc2nc1N[C@H]1COCC1)C(=O)C" . "HSWVJQBEXRKOBZ-QGZVFWFLSA-N" . "InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1" . "CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O)Cc1cc(C)c2c(c1)cn[nH]2" . "CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O)Cc1cc(C)c2c(c1)cn[nH]2" . "JJVAPHYEOZSKJZ-JGCGQSQUSA-N" . "InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1" . "N#Cc1ccc(cc1Cl)O[C@@H]1CC[C@H](CC1)NC(=O)c1ccc(nn1)N1CCC(CC1)CN1CCN(CC1)c1cc2C(=O)N(C(=O)c2cc1F)C1CCC(=O)NC1=O" . "N#Cc1ccc(cc1Cl)O[C@@H]1CC[C@H](CC1)NC(=O)c1ccc(nn1)N1CCC(CC1)CN1CCN(CC1)c1cc2C(=O)N(C(=O)c2cc1F)C1CCC(=O)NC1=O" . "CLCTZVRHDOAUGJ-SYVGMNBRSA-N" . "InChI=1S/C41H43ClFN9O6/c42-31-19-28(4-1-25(31)22-44)58-27-5-2-26(3-6-27)45-38(54)33-7-9-36(48-47-33)51-13-11-24(12-14-51)23-49-15-17-50(18-16-49)35-21-30-29(20-32(35)43)40(56)52(41(30)57)34-8-10-37(53)46-39(34)55/h1,4,7,9,19-21,24,26-27,34H,2-3,5-6,8,10-18,23H2,(H,45,54)(H,46,53,55)/t26-,27-,34?" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)N1CCN(CC1)CC1CCN(CC1)c1ccc(cc1)[C@H]1[C@H](CCc2c1ccc(c2)O)c1ccccc1" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)N1CCN(CC1)CC1CCN(CC1)c1ccc(cc1)[C@H]1[C@H](CCc2c1ccc(c2)O)c1ccccc1" . "TZZDVPMABRWKIZ-MFTLXVFQSA-N" . "InChI=1S/C45H49N5O4/c51-37-12-15-39-33(27-37)8-13-38(31-4-2-1-3-5-31)43(39)32-6-9-35(10-7-32)48-20-18-30(19-21-48)28-47-22-24-49(25-23-47)36-11-14-40-34(26-36)29-50(45(40)54)41-16-17-42(52)46-44(41)53/h1-7,9-12,14-15,26-27,30,38,41,43,51H,8,13,16-25,28-29H2,(H,46,52,53)/t38-,41?,43+/m1/s1" . "Cn1ncc(c1)c1ccc(cc1)CNc1ncnc(c1)c1cnc2n1ccc(c2)OCCCN1CCCC1" . "Cn1ncc(c1)c1ccc(cc1)CNc1ncnc(c1)c1cnc2n1ccc(c2)OCCCN1CCCC1" . "LVMAULGVWBINFP-UHFFFAOYSA-N" . "InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)" . "CCN(C(=O)C)Cc1nc2c([nH]1)c1ccc(cc1nc2N)c1n[nH]cc1" . "CCN(C(=O)C)Cc1nc2c([nH]1)c1ccc(cc1nc2N)c1n[nH]cc1" . "UHNRLQRZRNKOKU-UHFFFAOYSA-N" . "InChI=1S/C18H19N7O/c1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15/h4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)" . "O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C(=O)C(=O)N)C[C@@H]1CCOC1=C)C2(C)C" . "O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C(=O)C(=O)N)C[C@@H]1CCOC1=C)C2(C)C" . "GLLOOYDKCPXZBT-WCDFTICCSA-N" . "InChI=1S/C28H45N5O6/c1-14-15(10-11-39-14)12-17(20(34)22(29)35)30-23(36)19-18-16(28(18,8)9)13-33(19)24(37)21(26(2,3)4)31-25(38)32-27(5,6)7/h15-19,21H,1,10-13H2,2-9H3,(H2,29,35)(H,30,36)(H2,31,32,38)/t15-,16-,17+,18-,19-,21+/m0/s1" . "OC(=O)C1CCCNC1" . "OC(=O)C1CCCNC1" . "XJLSEXAGTJCILF-UHFFFAOYSA-N" . "InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)" . "O=C1CC(Oc2c1c1C=CCOc1cc2)c1ccccc1" . "O=C1CC(Oc2c1c1C=CCOc1cc2)c1ccccc1" . "XIKPIBLKOKRKJQ-UHFFFAOYSA-N" . "InChI=1S/C18H14O3/c19-14-11-17(12-5-2-1-3-6-12)21-16-9-8-15-13(18(14)16)7-4-10-20-15/h1-9,17H,10-11H2" . "O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCCNC1=O)C(C)C)O)Cc1ccccc1)COc1c(C)cccc1C" . "O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCCNC1=O)C(C)C)O)Cc1ccccc1)COc1c(C)cccc1C" . "KJHKTHWMRKYKJE-SUGCFTRWSA-N" . "InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1" . "N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F" . "N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F" . "LIENCHBZNNMNKG-OJFNHCPVSA-N" . "InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1" . "CCOc1ccccc1OCC1CNCCO1" . "CCOc1ccccc1OCC1CNCCO1" . "YWPHCCPCQOJSGZ-UHFFFAOYSA-N" . "InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3" . "c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1" . "c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1" . "ATHZIFFSGSWIAU-UHFFFAOYSA-N" . "InChI=1S/C27H32N4/c1-2-7-22(8-3-1)20-31-17-14-21(15-18-31)13-16-28-26-19-24-11-6-10-23-9-4-5-12-25(23)27(24)30-29-26/h1-5,7-9,12,19,21H,6,10-11,13-18,20H2,(H,28,29)" . "CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC" . "CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC" . "VDDUJINYXKGZLV-UHFFFAOYSA-N" . "InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3" . "O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C" . "O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C" . "HYJRTXSYDAFGJK-UHFFFAOYSA-N" . "InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1" . "CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)[O-])[NH3+])O" . "CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)[O-])[NH3+])O" . "YUUWWSOTAGQJFW-YIVRLKKSSA-N" . "InChI=1S/C20H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24)25/h16-17,19-20,22H,2-15,18,21H2,1H3,(H2,23,24,25)/b17-16+/t19-,20+/m0/s1" . "COCCCCC[C@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO" . "COCCCCC[C@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO" . "CMZZUAAIKUIMSG-BULFRSBZSA-N" . "InChI=1S/C22H35NO2/c1-25-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-24/h8-9,14,17,21,24H,2-7,10-13,15-16,23H2,1H3/t17-,21-,22+/m0/s1" . "CCOCCC[C@@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO" . "CCOCCC[C@@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO" . "PYZTXDCPUPYILV-TYCQWZJGSA-N" . "InChI=1S/C21H33NO2/c1-2-24-11-3-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-23/h7-8,13,16,20,23H,2-6,9-12,14-15,22H2,1H3/t16-,20+,21-/m1/s1" . "OC[C@@]1(N)CC[C@@H](C1)c1ccc2c(c1)CC[C@H](C2)CCc1ccccc1OC" . "OC[C@@]1(N)CC[C@@H](C1)c1ccc2c(c1)CC[C@H](C2)CCc1ccccc1OC" . "QCMHGCDOZLWPOT-FMNCTDSISA-N" . "InChI=1S/C25H33NO2/c1-28-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-27/h2-5,10-11,15,18,23,27H,6-9,12-14,16-17,26H2,1H3/t18-,23+,25-/m1/s1" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1" . "ZETNXOFZFFDUSA-RRXWZPBSSA-N" . "InChI=1S/C59H75N15O8/c60-50(75)35-47(52(61)77)72-53(78)44(17-8-30-67-58(62)63)70-56(81)49-19-10-32-74(49)57(82)46(18-9-31-68-59(64)65)71-55(80)48(34-38-22-26-42(27-23-38)40-13-2-1-3-14-40)73-54(79)45(69-51(76)20-6-11-39-12-7-29-66-36-39)28-24-37-21-25-41-15-4-5-16-43(41)33-37/h1-5,7,12-16,21-23,25-27,29,33,36,44-49H,6,8-11,17-20,24,28,30-32,34-35H2,(H2,60,75)(H2,61,77)(H,69,76)(H,70,81)(H,71,80)(H,72,78)(H,73,79)(H4,62,63,67)(H4,64,65,68)/t44-,45-,46-,47-,48-,49-/m0/s1" . "OC(=O)[C@@H](NC1=C(Br)C(=O)C21CCCCC2)Cc1ccc(cc1)Nc1nccc2c1cncc2" . "OC(=O)[C@@H](NC1=C(Br)C(=O)C21CCCCC2)Cc1ccc(cc1)Nc1nccc2c1cncc2" . "KYHVWHYLKOHLKA-FQEVSTJZSA-N" . "InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1" . "CCN(CCOC(=O)[C@@H](NC(=O)c1c(C)cccc1Cl)Cc1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl)CC" . "CCN(CCOC(=O)[C@@H](NC(=O)c1c(C)cccc1Cl)Cc1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl)CC" . "VZVNFRFMDNFPOM-VWLOTQADSA-N" . "InChI=1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1" . "CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F" . "CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F" . "YLFZHHDVRSYTKT-NRFANRHFSA-N" . "InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1" . "C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)N(C(=O)C1)CC(=O)N(C)C)O" . "C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)N(C(=O)C1)CC(=O)N(C)C)O" . "OIJOPHJUWUWQSD-NZBPQXDJSA-N" . "InChI=1S/C19H30N2O5/c1-11-5-12(2)19(26)14(6-11)15(22)7-13-8-16(23)21(17(24)9-13)10-18(25)20(3)4/h11-15,22H,5-10H2,1-4H3/t11-,12-,14-,15+/m0/s1" . "CCC(C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)(C)C" . "CCC(C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)(C)C" . "OQAHHWOPVDDWHD-INIZCTEOSA-N" . "InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1" . "COc1cc(CC[C@H](c2cccc(c2)OCCN2CCOCC2)OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(c(c2)OC)OC)C2CCCCC2)ccc1OC" . "COc1cc(CC[C@H](c2cccc(c2)OCCN2CCOCC2)OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(c(c2)OC)OC)C2CCCCC2)ccc1OC" . "ZDBWLRLGUBSLPG-FDHYQTMZSA-N" . "InChI=1S/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/m0/s1" . "COc1ccc(cc1OC)CC[C@H](c1cccc(c1)OCC(=O)O)OC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1cc(OC)c(c(c1)OC)OC)C1CCCCC1" . "COc1ccc(cc1OC)CC[C@H](c1cccc(c1)OCC(=O)O)OC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1cc(OC)c(c(c1)OC)OC)C1CCCCC1" . "OEQZPFWOEOOISR-AKTKKGGCSA-N" . "InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1" . "CCC(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1cccc(c1)OCC(=O)O)CCc1ccc(c(c1)OC)OC)(C)C" . "CCC(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1cccc(c1)OCC(=O)O)CCc1ccc(c(c1)OC)OC)(C)C" . "CKUAMXWZIHXZJC-LOSJGSFVSA-N" . "InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1" . "CCOC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(Cc1ccc(cc1)F)CC#C" . "CCOC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(Cc1ccc(cc1)F)CC#C" . "FWQHRZXEQNUCSY-UHFFFAOYSA-N" . "InChI=1S/C24H28FN3O4/c1-6-14-28(16-17-8-10-18(25)11-9-17)19-12-13-20(26-22(29)31-7-2)21(15-19)27-23(30)32-24(3,4)5/h1,8-13,15H,7,14,16H2,2-5H3,(H,26,29)(H,27,30)" . "O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@@H](c1ccccc1)C)N(C)C" . "O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@@H](c1ccccc1)C)N(C)C" . "LDXZFQWWXMRMAS-OAHLLOKOSA-N" . "InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m1/s1" . "Clc1ccc(cc1)OC(C(=O)N[C@@H]1C2CC3CC1C[C@](C2)(C3)NS(=O)(=O)C)(C)C" . "Clc1ccc(cc1)OC(C(=O)N[C@@H]1C2CC3CC1C[C@](C2)(C3)NS(=O)(=O)C)(C)C" . "OSGIRCJRKSAODN-YLGPJNIESA-N" . "InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)23-18-14-8-13-9-15(18)12-21(10-13,11-14)24-29(3,26)27/h4-7,13-15,18,24H,8-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21-" . "CCN1CCc2c(C1)c1NC(=O)/C(=N/O)/c1cc2c1ccccc1" . "CCN1CCc2c(C1)c1NC(=O)/C(=N/O)/c1cc2c1ccccc1" . "CHVQAXYXYIDNDC-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O2/c1-2-22-9-8-13-14(12-6-4-3-5-7-12)10-15-17(16(13)11-22)20-19(23)18(15)21-24/h3-7,10,24H,2,8-9,11H2,1H3,(H,20,21,23)" . "Cc1ncc(c(c1)N1CC(C1)Oc1cc(F)c2c(c1)[nH]nc2N)F" . "Cc1ncc(c(c1)N1CC(C1)Oc1cc(F)c2c(c1)[nH]nc2N)F" . "YINCAUPIZHIQGR-UHFFFAOYSA-N" . "InChI=1S/C16H15F2N5O/c1-8-2-14(12(18)5-20-8)23-6-10(7-23)24-9-3-11(17)15-13(4-9)21-22-16(15)19/h2-5,10H,6-7H2,1H3,(H3,19,21,22)" . "CC(Cc1ccccc1)N" . "C[C@H](Cc1ccccc1)N" . "KWTSXDURSIMDCE-MRVPVSSYSA-N" . "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1" . "COc1ccc(cc1OC)Oc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)C(=N)N" . "COc1ccc(cc1OC)Oc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)C(=N)N" . "QMVSFWHTZQVRCC-UHFFFAOYSA-N" . "InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26)" . "CCN(CCN(c1ccc2c(c1)oc(=O)c(c2)C(=N)N)Cc1ccc(cc1)Cl)CC" . "CCN(CCN(c1ccc2c(c1)oc(=O)c(c2)C(=N)N)Cc1ccc(cc1)Cl)CC" . "VVYLUODGYRRACW-UHFFFAOYSA-N" . "InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)" . "O=CCC(CCC=C(C)C)C" . "O=CCC(CCC=C(C)C)C" . "NEHNMFOYXAPHSD-UHFFFAOYSA-N" . "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3" . "CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)C(F)(F)F" . "CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)C(F)(F)F" . "FYPZBZFXJUJJRA-AQNXPRMDSA-N" . "InChI=1S/C23H21F6N3O2/c1-2-9-31-21(34)32-18(11-30)20(19(32)12-33)14-5-3-13(4-6-14)15-7-8-16(22(24,25)26)17(10-15)23(27,28)29/h3-8,10,18-20,33H,2,9,12H2,1H3,(H,31,34)/t18-,19-,20+/m1/s1" . "CN=C(NCCC[C@@H](C(=O)O)N)N" . "CN=C(NCCC[C@@H](C(=O)O)N)N" . "NTNWOCRCBQPEKQ-YFKPBYRVSA-N" . "InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1" . "OCC([C@@H](C(=O)NC[C@H](NC(=O)CCc1ccccc1F)C)O)(C)C" . "OCC([C@@H](C(=O)NC[C@H](NC(=O)CCc1ccccc1F)C)O)(C)C" . "HCDITNRDWJWQAL-MLGOLLRUSA-N" . "InChI=1S/C18H27FN2O4/c1-12(10-20-17(25)16(24)18(2,3)11-22)21-15(23)9-8-13-6-4-5-7-14(13)19/h4-7,12,16,22,24H,8-11H2,1-3H3,(H,20,25)(H,21,23)/t12-,16-/m1/s1" . "CCN(S(=O)(=O)c1ccc(cc1)c1csc(n1)Nc1ccc(c(c1)C)C)CC" . "CCN(S(=O)(=O)c1ccc(cc1)c1csc(n1)Nc1ccc(c(c1)C)C)CC" . "CFAYJTHICHSZHC-UHFFFAOYSA-N" . "InChI=1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23)" . "CCc1cc(O)cc2c1[nH]cc2/C=N/NC(=N)NCCc1ccc(cc1)C" . "CCc1cc(O)cc2c1[nH]cc2/C=N/NC(=N)NCCc1ccc(cc1)C" . "FEOVKCUPOVFERI-DHRITJCHSA-N" . "InChI=1S/C21H25N5O/c1-3-16-10-18(27)11-19-17(12-24-20(16)19)13-25-26-21(22)23-9-8-15-6-4-14(2)5-7-15/h4-7,10-13,24,27H,3,8-9H2,1-2H3,(H3,22,23,26)/b25-13+" . "Oc1ccc(cc1)[C@H]1C2=C(CCCC2=O)Nc2n1nc(n2)c1ccccc1Cl" . "Oc1ccc(cc1)[C@H]1C2=C(CCCC2=O)Nc2n1nc(n2)c1ccccc1Cl" . "USSMQJUVPNGHNK-IBGZPJMESA-N" . "InChI=1S/C21H17ClN4O2/c22-15-5-2-1-4-14(15)20-24-21-23-16-6-3-7-17(28)18(16)19(26(21)25-20)12-8-10-13(27)11-9-12/h1-2,4-5,8-11,19,27H,3,6-7H2,(H,23,24,25)/t19-/m0/s1" . "C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1[nH]cnn1" . "C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1[nH]cnn1" . "XDJCLCLBSGGNKS-UHFFFAOYSA-N" . "InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)" . "O=C(c1cc2c(s1)c1ccccc1n(c2=O)C)NCCCN1CCCCCC1" . "O=C(c1cc2c(s1)c1ccccc1n(c2=O)C)NCCCN1CCCCCC1" . "NVFMMXVDSJFVNO-UHFFFAOYSA-N" . "InChI=1S/C22H27N3O2S/c1-24-18-10-5-4-9-16(18)20-17(22(24)27)15-19(28-20)21(26)23-11-8-14-25-12-6-2-3-7-13-25/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,23,26)" . "Cc1nn(c(c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)c1ccnc(c1)N1CCNCC1)C)C" . "Cc1nn(c(c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)c1ccnc(c1)N1CCNCC1)C)C" . "XMBSZPZJLPTFMV-UHFFFAOYSA-N" . "InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3" . "CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(C)C)C" . "CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(C)C)C" . "JCVQBJTWWDYUFQ-MRUTUVJXSA-N" . "InChI=1S/C46H73N13O11S2/c1-5-26(4)38-45(69)54-30(14-9-17-35(48)60)41(65)56-32(21-36(49)61)42(66)57-33(24-72-71-23-28(47)39(63)55-31(43(67)58-38)20-27-12-7-6-8-13-27)46(70)59-19-11-16-34(59)44(68)53-29(15-10-18-51-25(2)3)40(64)52-22-37(50)62/h6-8,12-13,25-26,28-34,38,51H,5,9-11,14-24,47H2,1-4H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,52,64)(H,53,68)(H,54,69)(H,55,63)(H,56,65)(H,57,66)(H,58,67)/t26-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1" . "CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O" . "CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O" . "AHFBZYAJIRDUHZ-UHFFFAOYSA-N" . "InChI=1S/C30H26F3NO3/c1-37-34-14-12-21(13-15-34)19-2-4-22(5-3-19)28-18-25(29(35)36)17-24-16-23(8-11-27(24)28)20-6-9-26(10-7-20)30(31,32)33/h2-11,16-18,21H,12-15H2,1H3,(H,35,36)" . "[O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F" . "[O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F" . "BGTJUOYBNMSGRC-UHFFFAOYSA-N" . "InChI=1S/C10H6F3NO3/c11-10(12,13)9-7(14(15)16)5-6-3-1-2-4-8(6)17-9/h1-5,9H" . "O=C1CC(Oc2c1c(O)cc1c2C=CCO1)c1ccccc1" . "O=C1CC(Oc2c1c(O)cc1c2C=CCO1)c1ccccc1" . "USERNAUADQTGOU-UHFFFAOYSA-N" . "InChI=1S/C18H14O4/c19-13-9-15(11-5-2-1-3-6-11)22-18-12-7-4-8-21-16(12)10-14(20)17(13)18/h1-7,10,15,20H,8-9H2" . "Cc1cc(C2CCCCC2)n(c(=O)c1)O" . "Cc1cc(C2CCCCC2)n(c(=O)c1)O" . "SCKYRAXSEDYPSA-UHFFFAOYSA-N" . "InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3" . "Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C" . "Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C" . "QXOGPTXQGKQSJT-UHFFFAOYSA-N" . "InChI=1S/C28H22N2O5S2/c1-15-7-10-19(13-16(15)2)36-18-11-8-17(9-12-18)30-22-14-23(37(33,34)35)26(29)25-24(22)27(31)20-5-3-4-6-21(20)28(25)32/h3-14,30H,29H2,1-2H3,(H,33,34,35)" . "OC[C@@H](C(=O)[O-])NC(=O)c1ccc[n+](c1)COC(=O)N1CCCC[C@@H]1[C@@H](c1ccccc1)C(=O)OC" . "OC[C@@H](C(=O)[O-])NC(=O)c1ccc[n+](c1)COC(=O)N1CCCC[C@@H]1[C@@H](c1ccccc1)C(=O)OC" . "UBZPNQRBUOBBLN-PWRODBHTSA-N" . "InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/t19-,20+,21+/m0/s1" . "C([3H])NC(=O)C1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)CC)NS(=O)(=O)C" . "C([3H])NC(=O)C1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)CC)NS(=O)(=O)C" . "YYZIODGIFUUQEK-INRSUVRLSA-N" . "InChI=1S/C18H34N2O4S/c1-4-13-8-10-14(11-9-13)24-12-16-15(18(21)19-2)6-5-7-17(16)20-25(3,22)23/h13-17,20H,4-12H2,1-3H3,(H,19,21)/t13-,14+,15?,16-,17+/m1/s1/i2T" . "COC(=O)N1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)c1ccccc1)NS(=O)(=O)C" . "COC(=O)N1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)c1ccccc1)NS(=O)(=O)C" . "UXZAJSZFFARTEI-YRPNKDGESA-N" . "InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)CCNC(=O)c1ccccc1n1nccn1)c1cccc(c1)C(=O)N(C)C" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)CCNC(=O)c1ccccc1n1nccn1)c1cccc(c1)C(=O)N(C)C" . "AMTAVIZAVFJXIJ-UHFFFAOYSA-N" . "InChI=1S/C33H32N6O5S/c1-38(2)33(41)26-10-7-9-24(21-26)25-14-15-30(44-3)31(22-25)45(42,43)37-27-11-6-8-23(20-27)16-17-34-32(40)28-12-4-5-13-29(28)39-35-18-19-36-39/h4-15,18-22,37H,16-17H2,1-3H3,(H,34,40)" . "OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N" . "OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N" . "BRDWIEOJOWJCLU-LTGWCKQJSA-N" . "InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1" . "CCCOc1cc(Cl)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1ccccc1C#N" . "CCCOc1cc(Cl)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1ccccc1C#N" . "KFGXONJZGIXSGH-UHFFFAOYSA-N" . "InChI=1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3" . "O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(cc1Cl)Cl)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(cc1Cl)Cl)C[C@@H]1CCNC1=O" . "HKJKOHDJUKCNRG-ZEAPZOAHSA-N" . "InChI=1S/C23H27Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21-/m0/s1" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)COc1ccc(cc1)OC(F)(F)F" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)COc1ccc(cc1)OC(F)(F)F" . "RBWMYPKAPIYTJQ-VMBFOHBNSA-N" . "InChI=1S/C24H28F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,11,13-14,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1" . "O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCOCC1)CN1C(=O)COc2c1cc(Cl)c(c2)Cl" . "O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCOCC1)CN1C(=O)COc2c1cc(Cl)c(c2)Cl" . "ABDQSBVMVCODPZ-IBGZPJMESA-N" . "InChI=1S/C25H35Cl2N5O6S/c26-20-13-22-23(14-21(20)27)38-18-25(34)32(22)17-24(33)31-6-5-30(16-19(31)15-29-3-1-2-4-29)39(35,36)12-9-28-7-10-37-11-8-28/h13-14,19H,1-12,15-18H2/t19-/m0/s1" . "O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCN(CC1)C(=O)C)COc1cc(Cl)c(cc1Cl)Cl" . "O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCN(CC1)C(=O)C)COc1cc(Cl)c(cc1Cl)Cl" . "WDLHORHSBVXUET-FQEVSTJZSA-N" . "InChI=1S/C25H36Cl3N5O5S/c1-19(34)31-8-6-29(7-9-31)12-13-39(36,37)32-10-11-33(20(17-32)16-30-4-2-3-5-30)25(35)18-38-24-15-22(27)21(26)14-23(24)28/h14-15,20H,2-13,16-18H2,1H3/t20-/m0/s1" . "Fc1ccc(cc1)C(=O)N1CCc2c(C1)oc(n2)COc1ccccc1" . "Fc1ccc(cc1)C(=O)N1CCc2c(C1)oc(n2)COc1ccccc1" . "QUZLMKNNIUSREV-UHFFFAOYSA-N" . "InChI=1S/C20H17FN2O3/c21-15-8-6-14(7-9-15)20(24)23-11-10-17-18(12-23)26-19(22-17)13-25-16-4-2-1-3-5-16/h1-9H,10-13H2" . "CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C" . "CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C" . "DAWSYEXBFLQUER-SLMIJXFKSA-P" . "InChI=1S/C49H80N8O7/c1-33(2)23-40(45(60)51-29-36-21-16-22-37(24-36)31-57(7,8)9)53-44(59)28-43(58)39(25-34-17-12-10-13-18-34)54-46(61)42(27-38-30-50-32-52-38)56(6)47(62)41(26-35-19-14-11-15-20-35)55-48(63)64-49(3,4)5/h11,14,19,21,24,30,32-34,39-43,46,54,58,61H,10,12-13,15-18,20,22-23,25-29,31H2,1-9H3,(H3-,50,51,52,53,55,59,60,63)/p+2/t39-,40-,41-,42-,43-,46?/m0/s1" . "CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C" . "CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C" . "MVCQKIKWYUURMU-UHFFFAOYSA-N" . "InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3" . "O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cc(F)cc(c1)F)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cc(F)cc(c1)F)C[C@@H]1CCNC1=O" . "ZUAZJPLYYVHKFN-NAFADOBPSA-N" . "InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1" . "CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC" . "CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC" . "PJHKBYALYHRYSK-UHFFFAOYSA-N" . "InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3" . 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"ZVXLKCOOOKREJD-OERAVCCFSA-N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CO)C)CO)CO)C)[C@H](CC)C)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)C(C)C)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](Cc1ccc(cc1)O)N)(C)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)(C)C)CC(C)C)CC(=O)O)CCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C)CCC(=O)N" . "CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(cc1)O)N" . "AAPYRSPHYSKGIS-MCNPHUAVSA-N" . "InChI=1S/C225H348N48O68/c1-23-126(10)183(214(327)242-131(15)190(303)244-148(80-84-168(228)283)196(309)245-145(64-50-52-88-226)195(308)240-130(14)191(304)248-154(105-135-58-42-40-43-59-135)205(318)263-182(125(8)9)212(325)247-149(81-85-169(229)284)197(310)251-156(108-139-111-234-144-63-49-48-62-142(139)144)201(314)249-151(102-123(4)5)204(317)265-184(127(11)24-2)213(326)241-129(13)189(302)236-112-173(288)235-115-177(292)270-92-54-66-164(270)210(323)258-161(118-276)208(321)256-160(117-275)194(307)238-113-174(289)239-132(16)218(331)272-94-56-68-166(272)220(333)273-95-57-69-167(273)219(332)271-93-55-67-165(271)211(324)255-159(116-274)188(230)301)264-198(311)146(65-51-53-89-231-170(285)70-46-38-36-34-32-30-28-26-27-29-31-33-35-37-39-47-71-172(287)243-150(221(334)335)82-86-171(286)232-90-96-338-98-100-340-121-176(291)233-91-97-339-99-101-341-122-181(299)300)246-202(315)157(109-179(295)296)252-199(312)152(103-124(6)7)261-223(337)225(21,22)269-217(330)185(128(12)25-3)266-209(322)163(120-278)257-200(313)153(107-138-74-78-141(282)79-75-138)250-203(316)158(110-180(297)298)253-207(320)162(119-277)259-216(329)187(134(18)280)267-206(319)155(106-136-60-44-41-45-61-136)254-215(328)186(133(17)279)262-175(290)114-237-193(306)147(83-87-178(293)294)260-222(336)224(19,20)268-192(305)143(227)104-137-72-76-140(281)77-73-137/h40-45,48-49,58-63,72-79,111,123-134,143,145-167,182-187,234,274-282H,23-39,46-47,50-57,64-71,80-110,112-122,226-227H2,1-22H3,(H2,228,283)(H2,229,284)(H2,230,301)(H,231,285)(H,232,286)(H,233,291)(H,235,288)(H,236,302)(H,237,306)(H,238,307)(H,239,289)(H,240,308)(H,241,326)(H,242,327)(H,243,287)(H,244,303)(H,245,309)(H,246,315)(H,247,325)(H,248,304)(H,249,314)(H,250,316)(H,251,310)(H,252,312)(H,253,320)(H,254,328)(H,255,324)(H,256,321)(H,257,313)(H,258,323)(H,259,329)(H,260,336)(H,261,337)(H,262,290)(H,263,318)(H,264,311)(H,265,317)(H,266,322)(H,267,319)(H,268,305)(H,269,330)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,334,335)/t126-,127-,128-,129-,130-,131-,132-,133+,134+,143-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,182-,183-,184-,185-,186-,187-/m0/s1" . "CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1F)F)[C@@H](O)C" . "CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1F)F)[C@@H](O)C" . "RAGOYPUPXAKGKH-XAKZXMRKSA-N" . "InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1" . "CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)NC(=O)C)OC(CC)CC" . "CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)NC(=O)C)OC(CC)CC" . "VSZGPKBBMSAYNT-RRFJBIMHSA-N" . "InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1" . "CCC(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@H]1CO[C@](O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C" . "CCC(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@H]1CO[C@](O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C" . "VHVPQPYKVGDNFY-ZPGVKDDISA-N" . "InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1" . "Fc1ccc(cc1)Oc1cccc(c1)/C=C/C(N(C(=O)N)O)C" . "Fc1ccc(cc1)Oc1cccc(c1)/C=C/C(N(C(=O)N)O)C" . "UAIYNMRLUHHRMF-AATRIKPKSA-N" . "InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+" . "N#CCCn1ncc(c1)c1nc(ncc1F)Nc1ccc2c(c1)ccn2S(=O)(=O)C(F)(F)F" . "N#CCCn1ncc(c1)c1nc(ncc1F)Nc1ccc2c(c1)ccn2S(=O)(=O)C(F)(F)F" . "CGDRNYQWTORWBT-UHFFFAOYSA-N" . "InChI=1S/C19H13F4N7O2S/c20-15-10-25-18(28-17(15)13-9-26-29(11-13)6-1-5-24)27-14-2-3-16-12(8-14)4-7-30(16)33(31,32)19(21,22)23/h2-4,7-11H,1,6H2,(H,25,27,28)" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)CNC(=O)C(c1ccc(cc1)Cl)(F)F" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)CNC(=O)C(c1ccc(cc1)Cl)(F)F" . "PWBHUSLMHZLGRN-UHFFFAOYSA-N" . "InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)" . "c1ccc2c(c1)SCc1c2[nH]c2c1cccc2" . "c1ccc2c(c1)SCc1c2[nH]c2c1cccc2" . "ZGOOPZVQMLHPFM-UHFFFAOYSA-N" . "InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2" . "Cc1cc(C)cc(c1)[C@@H]1c2cc(C)ccc2NC(=O)CN1C(=O)c1ccc(s1)Br" . "Cc1cc(C)cc(c1)[C@@H]1c2cc(C)ccc2NC(=O)CN1C(=O)c1ccc(s1)Br" . "NIPTUMFVYBXSMZ-JOCHJYFZSA-N" . "InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/m1/s1" . "COc1cc(cc(c1OC)OC)C(=O)c1cnc([nH]1)c1c[nH]c2c1cccc2" . "COc1cc(cc(c1OC)OC)C(=O)c1cnc([nH]1)c1c[nH]c2c1cccc2" . "WQGVHOVEXMOLOK-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)" . "COc1ccc(cc1)[C@@H]1N(CCc2c1[nH]c1c2cc(cc1)Cl)C(=O)Oc1ccc(cc1)Cl" . "COc1ccc(cc1)[C@@H]1N(CCc2c1[nH]c1c2cc(cc1)Cl)C(=O)Oc1ccc(cc1)Cl" . "SRSHBZRURUNOSM-DEOSSOPVSA-N" . "InChI=1S/C25H20Cl2N2O3/c1-31-18-7-2-15(3-8-18)24-23-20(21-14-17(27)6-11-22(21)28-23)12-13-29(24)25(30)32-19-9-4-16(26)5-10-19/h2-11,14,24,28H,12-13H2,1H3/t24-/m0/s1" . "COc1cc2cc(cnc2cc1OC)c1ccc(cn1)CC(=O)Nc1onc(c1)C(C(F)(F)F)(C)C" . "COc1cc2cc(cnc2cc1OC)c1ccc(cn1)CC(=O)Nc1onc(c1)C(C(F)(F)F)(C)C" . "KOLQINCWMXQEOF-UHFFFAOYSA-N" . "InChI=1S/C25H23F3N4O4/c1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h5-6,8-13H,7H2,1-4H3,(H,31,33)" . "O=C(c1cccc(n1)C(F)(F)F)Nc1cc2cn(nc2cc1C(O)(C)C)CCS(=O)(=O)C" . "O=C(c1cccc(n1)C(F)(F)F)Nc1cc2cn(nc2cc1C(O)(C)C)CCS(=O)(=O)C" . "OQAMEEFUUFJZRS-UHFFFAOYSA-N" . "InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)" . "COCCOc1cc2c(cc1Oc1ccnc(c1)NC(=O)c1ccc(cc1)C1CCN(CC1)CCO)ccn2C(=O)NC" . "COCCOc1cc2c(cc1Oc1ccnc(c1)NC(=O)c1ccc(cc1)C1CCN(CC1)CCO)ccn2C(=O)NC" . "IBHOLSBDZMIPPT-UHFFFAOYSA-N" . "InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)" . "OC[C@@H]1CC[C@H](CO1)Nc1ncnc2c1c(c[nH]2)C(=O)c1ccc(cc1Cl)Oc1ccccc1" . "OC[C@@H]1CC[C@H](CO1)Nc1ncnc2c1c(c[nH]2)C(=O)c1ccc(cc1Cl)Oc1ccccc1" . "JSFCZQSJQXFJDS-QAPCUYQASA-N" . "InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1" . "Fc1ccc2c(c1)c(co2)C1=C(C(=O)NC1=O)c1cn(c2c1cc1OCOc1c2)C" . "Fc1ccc2c(c1)c(co2)C1=C(C(=O)NC1=O)c1cn(c2c1cc1OCOc1c2)C" . "FARXPFGGGGLENU-UHFFFAOYSA-N" . "InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)" . "COc1ncc(cn1)c1n[nH]c2c1cc1CN([C@@H]3CCCN(C3)Cc3ccccc3)C(=O)Nc1c2" . "COc1ncc(cn1)c1n[nH]c2c1cc1CN([C@@H]3CCCN(C3)Cc3ccccc3)C(=O)Nc1c2" . "SQNCXVDXNAUREB-HXUWFJFHSA-N" . "InChI=1S/C26H27N7O2/c1-35-25-27-12-19(13-28-25)24-21-10-18-15-33(26(34)29-22(18)11-23(21)30-31-24)20-8-5-9-32(16-20)14-17-6-3-2-4-7-17/h2-4,6-7,10-13,20H,5,8-9,14-16H2,1H3,(H,29,34)(H,30,31)/t20-/m1/s1" . "N#CC[C@H](C1C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])n1ncc(c1)c1ncnc2c1cc[nH]2" . "N#CC[C@H](C1C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])n1ncc(c1)c1ncnc2c1cc[nH]2" . "HFNKQEVNSGCOJV-FBXGHSCESA-N" . "InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2" . "O=C(c1ccc(nc1C)Nc1ncc(c(n1)c1ccc2c(c1)n(C(C)C)c(n2)C)F)N1CCC(CC1)NC1CC1" . "O=C(c1ccc(nc1C)Nc1ncc(c(n1)c1ccc2c(c1)n(C(C)C)c(n2)C)F)N1CCC(CC1)NC1CC1" . "FDSYOFCVZBGPOV-UHFFFAOYSA-N" . "InChI=1S/C30H35FN8O/c1-17(2)39-19(4)34-25-9-5-20(15-26(25)39)28-24(31)16-32-30(37-28)36-27-10-8-23(18(3)33-27)29(40)38-13-11-22(12-14-38)35-21-6-7-21/h5,8-10,15-17,21-22,35H,6-7,11-14H2,1-4H3,(H,32,33,36,37)" . "Nc1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc2c1cccc2" . "Nc1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc2c1cccc2" . "XUMZHCJVSWBFGZ-UHFFFAOYSA-N" . "InChI=1S/C18H13F3N2O/c19-18(20,21)13-8-12(9-14(22)10-13)17(24)23-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,22H2,(H,23,24)" . "O=C1C(=O)c2cccnc2c2c1cccn2" . "O=C1C(=O)c2cccnc2c2c1cccn2" . "KCALAFIVPCAXJI-UHFFFAOYSA-N" . "InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H" . "COc1cccc2c1occ2C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)c(c2)I)C" . "COc1cccc2c1occ2C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)c(c2)I)C" . "JBKILIGSDAQHSL-UHFFFAOYSA-N" . "InChI=1S/C22H14FIN2O4/c1-26-8-12(11-6-14(23)15(24)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)" . "O=C(C(C)(C)C)NCc1ccc(c(c1)c1[nH]n(c(=O)n1)c1ccc(cc1)C(F)(F)F)Cl" . "O=C(C(C)(C)C)NCc1ccc(c(c1)c1[nH]n(c(=O)n1)c1ccc(cc1)C(F)(F)F)Cl" . "DOVBVLUPCQSAGE-UHFFFAOYSA-N" . "InChI=1S/C21H20ClF3N4O2/c1-20(2,3)18(30)26-11-12-4-9-16(22)15(10-12)17-27-19(31)29(28-17)14-7-5-13(6-8-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,26,30)(H,27,28,31)" . "Nc1nc(cc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N)OC(C(F)(F)F)c1ccc(cc1)c1cccc(c1)F" . "Nc1nc(cc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N)OC(C(F)(F)F)c1ccc(cc1)c1cccc(c1)F" . "JZWUKILTKYJLCN-XEGCMXMBSA-N" . "InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24?/m0/s1" . "COc1ccc(cc1c1ccc(cc1)O)c1onc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N" . "COc1ccc(cc1c1ccc(cc1)O)c1onc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N" . "DAAXYQZSKBPJOX-FQEVSTJZSA-N" . "InChI=1S/C24H21N3O5/c1-31-21-11-8-17(13-19(21)15-6-9-18(28)10-7-15)23-26-22(27-32-23)16-4-2-14(3-5-16)12-20(25)24(29)30/h2-11,13,20,28H,12,25H2,1H3,(H,29,30)/t20-/m0/s1" . "CC[C@@H]([C@H]1CN(CCCN1C(=O)c1cc(C)ccc1n1nccn1)c1oc2c(n1)cc(cc2)Cl)C" . "CC[C@@H]([C@H]1CN(CCCN1C(=O)c1cc(C)ccc1n1nccn1)c1oc2c(n1)cc(cc2)Cl)C" . "CRLKYMWQHWKXAE-FDDCHVKYSA-N" . "InChI=1S/C26H29ClN6O2/c1-4-18(3)23-16-31(26-30-21-15-19(27)7-9-24(21)35-26)12-5-13-32(23)25(34)20-14-17(2)6-8-22(20)33-28-10-11-29-33/h6-11,14-15,18,23H,4-5,12-13,16H2,1-3H3/t18-,23+/m0/s1" . "N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl" . "N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl" . "QAWIHIJWNYOLBE-OKKQSCSOSA-N" . "InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1" . "CCOC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N(C(=O)CCl)C)Cc1ccccc1)CCCNC(=O)N" . "CCOC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N(C(=O)CCl)C)Cc1ccccc1)CCCNC(=O)N" . "SUAZSPTYLUTEDZ-ORYMTKCHSA-N" . "InChI=1S/C37H48ClN7O7/c1-3-52-36(50)28(16-11-18-40-37(39)51)42-33(47)29(21-25-23-41-27-15-8-7-14-26(25)27)43-34(48)30-17-9-10-19-45(30)35(49)31(44(2)32(46)22-38)20-24-12-5-4-6-13-24/h4-8,12-15,23,28-31,41H,3,9-11,16-22H2,1-2H3,(H,42,47)(H,43,48)(H3,39,40,51)/t28-,29-,30-,31-/m0/s1" . "Fc1ccc2c(c1)nc([nH]2)C[C@H](C(=O)O)NC(=O)c1ccc2c(c1)cccc2" . "Fc1ccc2c(c1)nc([nH]2)C[C@H](C(=O)O)NC(=O)c1ccc2c(c1)cccc2" . "NKMPZFCFXCJBEY-GOSISDBHSA-N" . "InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1" . "Fc1ccc2c(c1)[nH]c(c2)CC1(CSC(=N1)CCc1c(Cl)cccc1Cl)C(=O)O" . "Fc1ccc2c(c1)[nH]c(c2)CC1(CSC(=N1)CCc1c(Cl)cccc1Cl)C(=O)O" . "FHXPZYVYXRJXQI-UHFFFAOYSA-N" . "InChI=1S/C21H17Cl2FN2O2S/c22-16-2-1-3-17(23)15(16)6-7-19-26-21(11-29-19,20(27)28)10-14-8-12-4-5-13(24)9-18(12)25-14/h1-5,8-9,25H,6-7,10-11H2,(H,27,28)" . "O=C(CC1c2ccccc2c2c1cccc2)N[C@@H](C(=O)O)Cc1[nH]c2c(c1)ccc(c2)F" . "O=C(CC1c2ccccc2c2c1cccc2)N[C@@H](C(=O)O)Cc1[nH]c2c(c1)ccc(c2)F" . "ZWSNYKPAUKAJCT-XMMPIXPASA-N" . "InChI=1S/C26H21FN2O3/c27-16-10-9-15-11-17(28-23(15)12-16)13-24(26(31)32)29-25(30)14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22,24,28H,13-14H2,(H,29,30)(H,31,32)/t24-/m1/s1" . "COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)c1ncn[nH]1" . "COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)c1ncn[nH]1" . "RZBQZKAZIZWIRZ-CMDGGOBGSA-N" . "InChI=1S/C43H51N15O6/c1-6-57-32(19-26(3)52-57)40(60)49-42-48-31-22-29(39-45-25-46-51-39)24-34(62-5)36(31)55(42)12-8-9-13-56-37-30(47-43(56)50-41(61)33-20-27(4)53-58(33)7-2)21-28(38(44)59)23-35(37)64-16-10-11-54-14-17-63-18-15-54/h8-9,19-25H,6-7,10-18H2,1-5H3,(H2,44,59)(H,45,46,51)(H,47,50,61)(H,48,49,60)/b9-8+" . "CC[C@@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H]2CCCN2C(=O)C(=O)C)C)CC(C)C)[C@@H](C)OC(=O)[C@H](Cc2ccc(cc2)OC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C)C)CC(C)C)C" . "CC[C@@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H]2CCCN2C(=O)C(=O)C)C)CC(C)C)[C@@H](C)OC(=O)[C@H](Cc2ccc(cc2)OC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C)C)CC(C)C)C" . "UUSZLLQJYRSZIS-LXNNNBEUSA-N" . "InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1" . "O=C(c1cnc(nc1)Oc1ccccc1)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1" . "O=C(c1cnc(nc1)Oc1ccccc1)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1" . "NLSSUSRERAMBTA-UHFFFAOYSA-N" . "InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)" . "Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F" . "Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F" . "JHBIMJKLBUMNAU-UHFFFAOYSA-N" . "InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3" . "O=C(N1CS(=O)(=O)c2c1cccc2)c1cc(Cl)c(c(c1)Cl)O" . "O=C(N1CS(=O)(=O)c2c1cccc2)c1cc(Cl)c(c(c1)Cl)O" . "VOFLAIHEELWYGO-UHFFFAOYSA-N" . "InChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2" . "C=C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C" . "C=C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C" . "BICRTLVBTLFLRD-PTWUADNWSA-N" . "InChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1" . "N#C/C=C/c1cc(C)c(c(c1)C)Nc1ccnc(n1)Nc1ccc(cc1)C#N" . "N#C/C=C/c1cc(C)c(c(c1)C)Nc1ccnc(n1)Nc1ccc(cc1)C#N" . "YIBOMRUWOWDFLG-ONEGZZNKSA-N" . "InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+" . "Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@H]3OC[C@@H](N3C(=O)c2c(c1=O)O)C" . "Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@H]3OC[C@@H](N3C(=O)c2c(c1=O)O)C" . "WCWSTNLSLKSJPK-LKFCYVNXSA-N" . "InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1" . "COc1cc(O)ccc1/C=C/1/CCCN=C1c1cccnc1" . "COc1cc(O)ccc1/C=C/1/CCCN=C1c1cccnc1" . "KXAAIPFSUGPVMQ-GXDHUFHOSA-N" . "InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/b14-10+" . "COc1cc(OC)ccc1/C=C/1/CCCN=C1c1cccnc1" . "COc1cc(OC)ccc1/C=C/1/CCCN=C1c1cccnc1" . "RPYWXZCFYPVCNQ-RVDMUPIBSA-N" . "InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+" . "O=C(N1CCN2CCC1CC2)c1ccc(o1)c1cccc(c1)C(F)(F)F" . "O=C(N1CCN2CCC1CC2)c1ccc(o1)c1cccc(c1)C(F)(F)F" . "VSOWCIMCDKXVRC-UHFFFAOYSA-N" . "InChI=1S/C19H19F3N2O2/c20-19(21,22)14-3-1-2-13(12-14)16-4-5-17(26-16)18(25)24-11-10-23-8-6-15(24)7-9-23/h1-5,12,15H,6-11H2" . "O[C@H]1C[C@H](O)C(=C)/C(=C/C=C/2/CCC[C@]3([C@H]2CC=C3[C@@H](C/C=C/S(=O)(=O)C(C)(C)C)C)C)/C1" . "O[C@H]1C[C@H](O)C(=C)/C(=C/C=C/2/CCC[C@]3([C@H]2CC=C3[C@@H](C/C=C/S(=O)(=O)C(C)(C)C)C)C)/C1" . "RFQHCLMGLJGZNV-UXXOMSPDSA-N" . "InChI=1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1" . "CCC(C(n1cncn1)c1ccc(cc1)Nc1nc2c(s1)cccc2)CC" . "CCC(C(n1cncn1)c1ccc(cc1)Nc1nc2c(s1)cccc2)CC" . "SNFYYXUGUBUECJ-UHFFFAOYSA-N" . "InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)" . "C[C@@H]([C@@H](n1cncc1)c1ccc(cc1)Nc1nc2c(s1)cccc2)N(C)C" . "C[C@@H]([C@@H](n1cncc1)c1ccc(cc1)Nc1nc2c(s1)cccc2)N(C)C" . "WGVPSTQRQHGEEP-MGPUTAFESA-N" . "InChI=1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m0/s1" . "COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1" . "COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1" . "KYWCWBXGRWWINE-UHFFFAOYSA-N" . "InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)" . "[O-]C(=O)c1oc2c(c1)cc(cc2)Cc1cccnc1.[Na+]" . "[O-]C(=O)c1oc2c(c1)cc(cc2)Cc1cccnc1.[Na+]" . "XBTIPIZROJAKOJ-UHFFFAOYSA-M" . "InChI=1S/C15H11NO3.Na/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11;/h1-5,7-9H,6H2,(H,17,18);/q;+1/p-1" . "NCC(=O)NCC(=O)N(CC(=O)Nc1nc2c(s1)cc(cc2)OC(F)(F)F)C" . "NCC(=O)NCC(=O)N(CC(=O)Nc1nc2c(s1)cc(cc2)OC(F)(F)F)C" . "YBZSGIWIPOUSHY-UHFFFAOYSA-N" . "InChI=1S/C15H16F3N5O4S/c1-23(13(26)6-20-11(24)5-19)7-12(25)22-14-21-9-3-2-8(4-10(9)28-14)27-15(16,17)18/h2-4H,5-7,19H2,1H3,(H,20,24)(H,21,22,25)" . "OC(=O)CCCCCCCNn1nnc2c1cccc2" . "OC(=O)CCCCCCCNn1nnc2c1cccc2" . "XRQULSHHDALTQA-UHFFFAOYSA-N" . "InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)" . "CCCCc1ccc(c(c1)C)N=CNO" . "CCCCc1ccc(c(c1)C)N=CNO" . "LYNOGBKNFIHKLE-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)" . "NCCNC(=O)c1ccc(cn1)Cl" . "NCCNC(=O)c1ccc(cn1)Cl" . "JZXRLKWWVNUZRB-UHFFFAOYSA-N" . "InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)" . "C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2" . "C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2" . "PEYUIKBAABKQKQ-AFHBHXEDSA-N" . "InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1" . "C/C(=C/c1ccccc1)/C=C/1/SC(=S)N(C1=O)CC(=O)O" . "C/C(=C/c1ccccc1)/C=C/1/SC(=S)N(C1=O)CC(=O)O" . "CHNUOJQWGUIOLD-NFZZJPOKSA-N" . "InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-" . "N[C@H](C(=S)NCC(=O)O)Cc1cc([19F])cc(c1)[18F]" . "N[C@H](C(=S)NCC(=O)O)Cc1cc([19F])cc(c1)[19F]" . "TWLHVEKSWVLMAU-DENHMSFDSA-N" . "InChI=1S/C11H12F2N2O2S/c12-7-1-6(2-8(13)4-7)3-9(14)11(18)15-5-10(16)17/h1-2,4,9H,3,5,14H2,(H,15,18)(H,16,17)/t9-/m0/s1/i12-1,13+0" . "[18F]CCOc1ccc(cc1)C[C@@H](C(=O)N(CC(=O)O)C)N" . "[18F]CCOc1ccc(cc1)C[C@@H](C(=O)N(CC(=O)O)C)N" . "DXMVXTCSJSPYPD-QDHXSUQPSA-N" . "InChI=1S/C14H19FN2O4/c1-17(9-13(18)19)14(20)12(16)8-10-2-4-11(5-3-10)21-7-6-15/h2-5,12H,6-9,16H2,1H3,(H,18,19)/t12-/m0/s1/i15-1" . "CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](C(=O)O)Cc1ccc2c(c1)cc(cc2)C(=N)N" . "CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](C(=O)O)Cc1ccc2c(c1)cc(cc2)C(=N)N" . "AGRCGQSFFMCBRE-ZEQRLZLVSA-N" . "InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1" . "NC(=N)N1CCc2c(C1)cc(cc2)OCC1(CCN(CC1)c1ccncc1)C(=O)O" . "NC(=N)N1CCc2c(C1)cc(cc2)OCC1(CCN(CC1)c1ccncc1)C(=O)O" . "MISBTXJXWSXZBF-UHFFFAOYSA-N" . "InChI=1S/C22H27N5O3/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(H,28,29)" . "O=C(N[C@H](C(=O)N[C@@H](c1ccccc1)C(=O)OC(C)(C)C)C)Cc1cc(F)cc(c1)F" . "O=C(N[C@H](C(=O)N[C@@H](c1ccccc1)C(=O)OC(C)(C)C)C)Cc1cc(F)cc(c1)F" . "DWJXYEABWRJFSP-XOBRGWDASA-N" . "InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1" . "CCOC(=O)COc1ccc(cc1OC)/C=C/1/SC(=S)NC1=O" . "CCOC(=O)COc1ccc(cc1OC)/C=C/1/SC(=S)NC1=O" . "QHPJWPQRZMBKTG-KPKJPENVSA-N" . "InChI=1S/C15H15NO5S2/c1-3-20-13(17)8-21-10-5-4-9(6-11(10)19-2)7-12-14(18)16-15(22)23-12/h4-7H,3,8H2,1-2H3,(H,16,18,22)/b12-7+" . "OC(=O)CCC1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)Cl" . "OC(=O)CCC1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)Cl" . "XCGJIFAKUZNNOR-UHFFFAOYSA-N" . "InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)" . "OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(c3c1nccc3)cccc2" . "OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(c3c1nccc3)cccc2" . "YCBAQKQAINQRFW-UGSOOPFHSA-N" . "InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1" . "CC(=O)c1cc2c(o1)C(=O)c1c(C2=O)cccc1" . "CC(=O)c1cc2c(o1)C(=O)c1c(C2=O)cccc1" . "DPHUWDIXHNQOSY-UHFFFAOYSA-N" . "InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3" . "C1CCCCCN=C(CCCCC1)N[C@H]1CCC[C@H]1c1ccccc1" . "C1CCCCCN=C(CCCCC1)N[C@H]1CCC[C@H]1c1ccccc1" . "RTRIXVOSRYRSBP-VXKWHMMOSA-N" . "InChI=1S/C23H36N2/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25)/t21-,22-/m0/s1" . "CN(C/C=C/C(=O)N1CC[C@@H](C1)OC(=O)N1CCC(CC1)Nc1cc(C)nc2n1ncc2C(C)C)C" . "CN(C/C=C/C(=O)N1CC[C@@H](C1)OC(=O)N1CCC(CC1)Nc1cc(C)nc2n1ncc2C(C)C)C" . "GRDAHPJRLCTJNA-BXKJMJEDSA-N" . "InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1" . "CCCCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-]" . "PQLXHQMOHUQAKB-UHFFFAOYSA-N" . "InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3" . "NCc1cccc(c1)n1nc(cc1C(=O)Nc1cc(ccc1F)[C@@H](c1cccc(c1)C#N)NCC1CC1)C(F)(F)F" . "NCc1cccc(c1)n1nc(cc1C(=O)Nc1cc(ccc1F)[C@@H](c1cccc(c1)C#N)NCC1CC1)C(F)(F)F" . "UXNXMBYCBRBRFD-MUUNZHRXSA-N" . "InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1" . "CC(=O)N1CCN(CC1)CCOCc1ccn(n1)c1ccc(c(c1)F)F" . "CC(=O)N1CCN(CC1)CCOCc1ccn(n1)c1ccc(c(c1)F)F" . "COKUNRYWXTVUAH-UHFFFAOYSA-N" . "InChI=1S/C18H22F2N4O2/c1-14(25)23-8-6-22(7-9-23)10-11-26-13-15-4-5-24(21-15)16-2-3-17(19)18(20)12-16/h2-5,12H,6-11,13H2,1H3" . "CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO)O)O)N)C(=O)O)O)O)N)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O)O)O" . "CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO)O)O)N)C(=O)O)O)O)N)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O)O)O" . "FFILOTSTFMXQJC-QCFYAKGBSA-N" . "InChI=1S/C74H134N4O32/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-52(89)78-43(44(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)40-101-69-61(95)60(94)63(50(38-81)104-69)106-70-62(96)67(64(51(39-82)105-70)107-68-55(77-42(3)83)59(93)58(92)49(37-80)103-68)110-74(72(99)100)35-46(86)54(76)66(109-74)57(91)48(88)41-102-73(71(97)98)34-45(85)53(75)65(108-73)56(90)47(87)36-79/h30,32,43-51,53-70,79-82,84-88,90-96H,4-29,31,33-41,75-76H2,1-3H3,(H,77,83)(H,78,89)(H,97,98)(H,99,100)/b32-30+/t43?,44?,45-,46-,47?,48?,49-,50-,51-,53+,54+,55-,56?,57?,58+,59-,60-,61-,62-,63-,64+,65+,66+,67-,68+,69-,70+,73-,74+/m1/s1" . "COc1cc(ccc1OC)Nc1ncc(c(n1)NC1CC1)C(F)(F)F" . "COc1cc(ccc1OC)Nc1ncc(c(n1)NC1CC1)C(F)(F)F" . "BQROJYIEHOOQBY-UHFFFAOYSA-N" . "InChI=1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)" . "CNC(=O)c1ccccc1Oc1nc(ncc1Br)Nc1cc(OC)c(c(c1)OC)OC" . "CNC(=O)c1ccccc1Oc1nc(ncc1Br)Nc1cc(OC)c(c(c1)OC)OC" . "NEXGBSJERNQRSV-UHFFFAOYSA-N" . "InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)" . "CNC(=O)COc1cc2cc(ccc2n(c1=O)C)Nc1nc(ncc1Cl)N1C[C@H](C)C[C@@H](C1)C" . "CNC(=O)COc1cc2cc(ccc2n(c1=O)C)Nc1nc(ncc1Cl)N1C[C@H](C)C[C@@H](C1)C" . "GXTJETQFYHZHNB-GASCZTMLSA-N" . "InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+" . "O=c1c2CN(CCc2n2c(=NCC2)n1Cc1ccc(cc1)C(F)(F)F)Cc1ccccc1" . "O=c1c2CN(CCc2n2c(=NCC2)n1Cc1ccc(cc1)C(F)(F)F)Cc1ccccc1" . "DFULPGUTXZTYKA-UHFFFAOYSA-N" . "InChI=1S/C24H23F3N4O/c25-24(26,27)19-8-6-18(7-9-19)15-31-22(32)20-16-29(14-17-4-2-1-3-5-17)12-10-21(20)30-13-11-28-23(30)31/h1-9H,10-16H2" . "COC(=O)N[C@H](C(=O)N[C@H](c1csc(n1)c1cccs1)Cc1ccc(cc1)NS(=O)(=O)O)Cc1ccccc1" . "COC(=O)N[C@H](C(=O)N[C@H](c1csc(n1)c1cccs1)Cc1ccc(cc1)NS(=O)(=O)O)Cc1ccccc1" . "KWJDHELCGJFUHW-SFTDATJTSA-N" . "InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1" . "NC(=N)NCCC[C@@H](C(=O)O)NC(=O)c1sccc1NS(=O)(=O)c1cccc2c1nsn2" . "NC(=N)NCCC[C@@H](C(=O)O)NC(=O)c1sccc1NS(=O)(=O)c1cccc2c1nsn2" . "ZWWMEDURALZMEV-NSHDSACASA-N" . "InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1" . "OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]n2c1nc(cc2=O)c1ccccc1" . "OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]n2c1nc(cc2=O)c1ccccc1" . "WGQGCLHXUPGUSZ-HIFRSBDPSA-N" . "InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,21H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1" . "N#C/C/1=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C[C@H](C[C@H](C[C@@H]([C@H]1O)C)C)C)C)O)[C@@H]1CCC[C@H]1C(=O)O" . "N#C/C/1=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C[C@H](C[C@H](C[C@@H]([C@H]1O)C)C)C)C)O)[C@@H]1CCC[C@H]1C(=O)O" . "OJCKRNPLOZHAOU-UGKRXNSESA-N" . "InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1" . "CNC(=O)c1cncc(c1)c1cnc(c(c1)NS(=O)(=O)c1ccccc1)Cl" . "CNC(=O)c1cncc(c1)c1cnc(c(c1)NS(=O)(=O)c1ccccc1)Cl" . "IHWSJFBJORCEAK-UHFFFAOYSA-N" . "InChI=1S/C18H15ClN4O3S/c1-20-18(24)14-7-12(9-21-10-14)13-8-16(17(19)22-11-13)23-27(25,26)15-5-3-2-4-6-15/h2-11,23H,1H3,(H,20,24)" . "Clc1ccc2c(c1)[C@@H](NCC2)c1cc(sc1C)C(=O)c1cncnc1N[C@@H]1C[C@@H]([C@H](C1)O)COS(=O)(=O)N" . "Clc1ccc2c(c1)[C@@H](NCC2)c1cc(sc1C)C(=O)c1cncnc1N[C@@H]1C[C@@H]([C@H](C1)O)COS(=O)(=O)N" . "LXRZVMYMQHNYJB-UNXOBOICSA-N" . "InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1" . "COc1ccc(cc1)P(=S)(N1CCOCC1)S" . "COc1ccc(cc1)P(=S)(N1CCOCC1)S" . "QDSAKNAFJWRQIV-UHFFFAOYSA-N" . "InChI=1S/C11H16NO2PS2/c1-13-10-2-4-11(5-3-10)15(16,17)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3,(H,16,17)" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OCCCNc2ccnc3c2ccc(c3)Cl)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OCCCNc2ccnc3c2ccc(c3)Cl)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "KZRUOZJPVVJKAE-ZPHCEPPYSA-N" . "InChI=1S/C50H83ClN4O12/c1-15-39-50(10,60)43(56)32(6)55(13)27-28(2)25-48(8,59)45(30(4)41(31(5)46(58)65-39)66-40-26-49(9,61-14)44(57)33(7)64-40)67-47-42(38(54(11)12)23-29(3)63-47)62-22-16-20-52-36-19-21-53-37-24-34(51)17-18-35(36)37/h17-19,21,24,28-33,38-45,47,56-57,59-60H,15-16,20,22-23,25-27H2,1-14H3,(H,52,53)/t28-,29-,30+,31-,32-,33+,38+,39-,40+,41+,42-,43-,44+,45-,47+,48-,49-,50-/m1/s1" . "CC(C[C@@H](C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCOCC1)C" . "CC(C[C@@H](C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCOCC1)C" . "DKBAFRHAWTVKAD-ODGLJRBPSA-N" . "InChI=1S/C31H47N5O6S/c1-21(2)16-24(10-15-43(5,40)41)33-30(38)27(17-22(3)4)35-31(39)28(34-29(37)20-36-11-13-42-14-12-36)18-23-19-32-26-9-7-6-8-25(23)26/h6-10,15,19,21-22,24,27-28,32H,11-14,16-18,20H2,1-5H3,(H,33,38)(H,34,37)(H,35,39)/b15-10+/t24-,27+,28+/m1/s1" . "CN(CCNc1cc(/C=C/c2ccc(cc2)C(F)(F)F)nc2c1cc(Cl)cc2)C" . "CN(CCNc1cc(/C=C/c2ccc(cc2)C(F)(F)F)nc2c1cc(Cl)cc2)C" . "AOIUKRJIEYZLAU-WEVVVXLNSA-N" . "InChI=1S/C22H21ClF3N3/c1-29(2)12-11-27-21-14-18(28-20-10-8-17(23)13-19(20)21)9-5-15-3-6-16(7-4-15)22(24,25)26/h3-10,13-14H,11-12H2,1-2H3,(H,27,28)/b9-5+" . "COc1ccc2c(n1)c(Nc1cc(CN(C)C)c(c(c1)CN(C)C)O)c1c(n2)cc(cc1)Cl" . "COc1ccc2c(n1)c(Nc1cc(CN(C)C)c(c(c1)CN(C)C)O)c1c(n2)cc(cc1)Cl" . "CYNAGHGKNNKEIO-UHFFFAOYSA-N" . "InChI=1S/C25H28ClN5O2/c1-30(2)13-15-10-18(11-16(25(15)32)14-31(3)4)27-23-19-7-6-17(26)12-21(19)28-20-8-9-22(33-5)29-24(20)23/h6-12,32H,13-14H2,1-5H3,(H,27,28)" . "CNCC(c1ccc(cc1)OC(=O)C)Cl" . "CNCC(c1ccc(cc1)OC(=O)C)Cl" . "VZCQEZNQVVYTJC-UHFFFAOYSA-N" . "InChI=1S/C11H14ClNO2/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2/h3-6,11,13H,7H2,1-2H3" . "Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "OVJUYQCJIFWMBI-UHFFFAOYSA-N" . "InChI=1S/C23H19ClN2O6S/c24-15-9-10-19(18(13-15)23(29)30)33(31,32)25-11-1-2-12-26-21(27)16-7-3-5-14-6-4-8-17(20(14)16)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)" . "COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(Cc2c(C1)cccc2)C(=O)O" . "COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(Cc2c(C1)cccc2)C(=O)O" . "SOJDTNUCCXWTMG-UHFFFAOYSA-N" . "InChI=1S/C27H27NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,29)(H,30,31)" . "CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC" . "CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC" . "FXNNNICQCLNEPG-HNNXBMFYSA-N" . "InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1" . "CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC" . "CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC" . "GJLKKMYIDLNMFF-HNNXBMFYSA-N" . "InChI=1S/C16H23NO2/c1-5-17(6-2)15(10-18)14-9-7-8-13-11(3)12(4)19-16(13)14/h7-9,15,18H,5-6,10H2,1-4H3/t15-/m0/s1" . "N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C" . "N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C" . "FMYGNANMYYHBSU-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O2/c1-15-10-19(16(2)24(15)13-17-6-4-3-5-7-17)20(25)14-23-12-18(11-22)8-9-21(23)26/h3-10,12H,13-14H2,1-2H3" . "OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C" . "OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C" . "NFIGDBFIDKDNIG-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN4O4/c1-13(2)30-22-17(23)11-14(12-24-22)21-25-20(26-31-21)16-5-3-6-18-15(16)8-10-27(18)9-4-7-19(28)29/h3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,28,29)" . "N#Cc1ccc2c(c1)[C@@H](C)c1ccccc1[C@H]1N2CC[C@@H](C1)NC(=O)c1snnc1C" . "N#Cc1ccc2c(c1)[C@@H](C)c1ccccc1[C@H]1N2CC[C@@H](C1)NC(=O)c1snnc1C" . "BUWMTEGCNUYHSZ-JKXTWKSPSA-N" . "InChI=1S/C24H23N5OS/c1-14-18-5-3-4-6-19(18)22-12-17(26-24(30)23-15(2)27-28-31-23)9-10-29(22)21-8-7-16(13-25)11-20(14)21/h3-8,11,14,17,22H,9-10,12H2,1-2H3,(H,26,30)/t14-,17-,22-/m0/s1" . "CCCCC1CCC(CC1)C(=O)O" . "CCCCC1CCC(CC1)C(=O)O" . "BALGERHMIXFENA-UHFFFAOYSA-N" . "InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)" . "O=C1[C@H](COc2c(N1C)nccc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1" . "O=C1[C@H](COc2c(N1C)nccc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1" . "XUZICJHIIJCKQQ-ZDUSSCGKSA-N" . "InChI=1S/C19H18N6O3/c1-25-17-14(8-5-9-20-17)28-11-13(19(25)27)21-18(26)16-22-15(23-24-16)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,21,26)(H,22,23,24)/t13-/m0/s1" . "CN(CCc1c[nH]c2c1c(O)ccc2)C" . "CN(CCc1c[nH]c2c1c(O)ccc2)C" . "SPCIYGNTAMCTRO-UHFFFAOYSA-N" . "InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3" . "CCc1cc(O)ccc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)C[C@H](N(C2)C(C)C)C(=O)N1CC(C1)N(C)C" . "CCc1cc(O)ccc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)C[C@H](N(C2)C(C)C)C(=O)N1CC(C1)N(C)C" . "VQIIUJSNIKEMCK-MHZLTWQESA-N" . "InChI=1S/C30H37N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3,(H,31,32)(H,33,34)/t27-/m0/s1" . "CCc1ccc(nc1)C(=O)COc1ccc(cc1)CC1SC(=O)NC1=O" . "CCc1ccc(nc1)C(=O)COc1ccc(cc1)CC1SC(=O)NC1=O" . "IRNJSRAGRIZIHD-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)" . "N#C/C(=C/c1cn(c2c1cccc2)c1ccccc1)/C(=O)O" . "N#C/C(=C/c1cn(c2c1cccc2)c1ccccc1)/C(=O)O" . "BIZNHCWFGNKBBZ-JLHYYAGUSA-N" . "InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+" . "N#C/C(=C/C=C/c1ccccc1)/C(=O)O" . "N#C/C(=C/C=C/c1ccccc1)/C(=O)O" . "UBDXZYYYWGIRGN-VCABWLAWSA-N" . "InChI=1S/C12H9NO2/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8H,(H,14,15)/b7-4+,11-8+" . "N#CC(=Cc1ccc(cc1)O)C(=O)O" . "N#CC(=Cc1ccc(cc1)O)C(=O)O" . "AFVLVVWMAFSXCK-UHFFFAOYSA-N" . "InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)" . "N#C/C(=C/c1ccccc1)/C(=O)O" . "N#C/C(=C/c1ccccc1)/C(=O)O" . "CDUQMGQIHYISOP-RMKNXTFCSA-N" . "InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+" . "CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCOCC1)N(C)C" . "CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCOCC1)N(C)C" . "JQUVQWMHZSYCRQ-UHFFFAOYSA-N" . "InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)" . "CN1CCC(CC1)NC(=O)c1ccc(cc1)COc1ccc(cc1)C(F)(F)F" . "CN1CCC(CC1)NC(=O)c1ccc(cc1)COc1ccc(cc1)C(F)(F)F" . "IVOIYPHGIHJNMU-UHFFFAOYSA-N" . "InChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27)" . "CC(c1nnc(n1c1cccc2c1non2)c1ccc(nc1)c1ccccc1)C" . "CC(c1nnc(n1c1cccc2c1non2)c1ccc(nc1)c1ccccc1)C" . "FQGLDGKVKDPVLO-UHFFFAOYSA-N" . "InChI=1S/C22H18N6O/c1-14(2)21-24-25-22(28(21)19-10-6-9-18-20(19)27-29-26-18)16-11-12-17(23-13-16)15-7-4-3-5-8-15/h3-14H,1-2H3" . "CNc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@@]1(C)F)O)CO[P@@](=O)(N[C@H](C(=O)OC(C)C)C)Oc1ccccc1" . "C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)n1cnc2c(nc(nc12)N)NC)(C)F)O)Oc1ccccc1" . "OISLSHLAXHALQZ-LZEIJKKFSA-N" . "InChI=1S/C24H33FN7O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32/h6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30)/t14-,16+,18+,22+,24+,40-/m0/s1" . "N#Cc1c(nc2c(c1c1ccccc1O)c(C)nn2c1ccccc1)c1ccc(cc1)C(C)(C)C" . "N#Cc1c(nc2c(c1c1ccccc1O)c(C)nn2c1ccccc1)c1ccc(cc1)C(C)(C)C" . "LIARSLHDKGMNOW-UHFFFAOYSA-N" . "InChI=1S/C30H26N4O/c1-19-26-27(23-12-8-9-13-25(23)35)24(18-31)28(20-14-16-21(17-15-20)30(2,3)4)32-29(26)34(33-19)22-10-6-5-7-11-22/h5-17,35H,1-4H3" . "C[C@@H]1CCCN1CCCOc1ccc(cc1)n1ncc(c1)C(=O)N1CCOCC1" . "C[C@@H]1CCCN1CCCOc1ccc(cc1)n1ncc(c1)C(=O)N1CCOCC1" . "IABXVJILZYNSTM-GOSISDBHSA-N" . "InChI=1S/C22H30N4O3/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25/h5-8,16-18H,2-4,9-15H2,1H3/t18-/m1/s1" . "NC(=N/N=C/C=C/c1cccn1c1ccccc1[N+](=O)[O-])N" . "NC(=N/N=C/C=C/c1cccn1c1ccccc1[N+](=O)[O-])N" . "ZSDGHWLLLGYAJV-LDRJOUGUSA-N" . "InChI=1S/C14H14N6O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22/h1-10H,(H4,15,16,18)/b5-3+,17-9-" . "CC(C(=O)N1CCC[C@@]21CN(C2=O)[C@H](C(=O)N)[C@H](O)C)C" . "CC(C(=O)N1CCC[C@@]21CN(C2=O)[C@H](C(=O)N)[C@H](O)C)C" . "NFXPEHLDVKVVKA-ISTVAULSSA-N" . "InChI=1S/C14H23N3O4/c1-8(2)12(20)17-6-4-5-14(17)7-16(13(14)21)10(9(3)18)11(15)19/h8-10,18H,4-7H2,1-3H3,(H2,15,19)/t9-,10+,14-/m1/s1" . "CCc1cccc(c1Cl)N1CCN(CC1)C[C@@H](CCNC(=O)c1cc2c([nH]1)cccc2)O" . "CCc1cccc(c1Cl)N1CCN(CC1)C[C@@H](CCNC(=O)c1cc2c([nH]1)cccc2)O" . "OIRZLTZLOKARTG-HXUWFJFHSA-N" . "InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1" . "N#Cc1ccc(cc1F)c1nc(N2CCC(CC2)N)n(c(=O)c1c1ccc(c(c1)F)OC)C" . "N#Cc1ccc(cc1F)c1nc(N2CCC(CC2)N)n(c(=O)c1c1ccc(c(c1)F)OC)C" . "NBAIXBAUHIQQGF-UHFFFAOYSA-N" . "InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3" . "N#Cc1cc(cc(c1)F)Oc1ccc(c2c1[C@@H](F)[C@H]([C@H]2O)F)S(=O)(=O)C" . "N#Cc1cc(cc(c1)F)Oc1ccc(c2c1[C@@H](F)[C@H]([C@H]2O)F)S(=O)(=O)C" . "LOMMPXLFBTZENJ-ZACQAIPSSA-N" . "InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1" . "OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1" . "OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1" . "YQOLEILXOBUDMU-KRWDZBQOSA-N" . "InChI=1S/C26H27BrClN3O3/c1-16-24(20-14-18(27)9-10-22(20)30-25(16)31-12-4-5-13-31)26(34)29-15-17(8-11-23(32)33)19-6-2-3-7-21(19)28/h2-3,6-7,9-10,14,17H,4-5,8,11-13,15H2,1H3,(H,29,34)(H,32,33)/t17-/m0/s1" . "Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)Cn1nc(c3c1cccc3)C(=O)N)C2" . "Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)Cn1nc(c3c1cccc3)C(=O)N)C2" . "CWZUTHDJLNZLCM-DFBGVHRSSA-N" . "InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1" . "CNC(=O)C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)F" . "CNC(=O)C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)F" . "MBKYLPOPYYLTNW-ZDUSSCGKSA-N" . "InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1" . "Fc1cccc(c1C(=O)N1CC2(c3c1ccc(c3)C(C)(C)C)CCN(CC2)CCC(F)(F)F)F" . "Fc1cccc(c1C(=O)N1CC2(c3c1ccc(c3)C(C)(C)C)CCN(CC2)CCC(F)(F)F)F" . "PKSMEKUMTYWBCL-UHFFFAOYSA-N" . "InChI=1S/C26H29F5N2O/c1-24(2,3)17-7-8-21-18(15-17)25(9-12-32(13-10-25)14-11-26(29,30)31)16-33(21)23(34)22-19(27)5-4-6-20(22)28/h4-8,15H,9-14,16H2,1-3H3" . "COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccc(cc1)F)[N+](=O)[O-]" . "COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccc(cc1)F)[N+](=O)[O-]" . "YSSZKXGYBVLEJP-UHFFFAOYSA-N" . "InChI=1S/C28H30F2N4O5S/c1-39-27-16-25(34(35)36)9-10-28(27)40(37,38)33-18-21(26(19-33)20-3-2-4-23(30)15-20)17-31-11-13-32(14-12-31)24-7-5-22(29)6-8-24/h2-10,15-16,21,26H,11-14,17-19H2,1H3" . "Fc1cc2ncc3c(c2cc1c1ccc(nc1)OCCCN1CCCCC1)n(C(C)C)c(=O)n3C" . "Fc1cc2ncc3c(c2cc1c1ccc(nc1)OCCCN1CCCCC1)n(C(C)C)c(=O)n3C" . "VQSZIPCGAGVRRP-UHFFFAOYSA-N" . "InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3" . "COc1ccccc1C=NNC(=O)COc1ccc(cc1C)Cl" . "COc1ccccc1C=NNC(=O)COc1ccc(cc1C)Cl" . "KDALDZRKOBJXIE-UHFFFAOYSA-N" . "InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)" . "NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H]3N(C(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CCC3)CCC2)CCCCCCCC)CCC(=O)O)[C@H](O)C)[C@H](CC)C" . "NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H]3N(C(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CCC3)CCC2)CCCCCCCC)CCC(=O)O)[C@H](O)C)[C@H](CC)C" . "JMWYNUHGKFJVIB-QGFXQWJDSA-N" . "InChI=1S/C71H111N15O19/c1-6-8-9-10-11-12-19-46-60(94)76-48(30-32-56(91)92)63(97)82-58(42(5)88)67(101)74-41(4)59(93)80-50(39-87)64(98)81-57(40(3)7-2)71(105)86-37-18-24-54(86)70(104)84-35-16-22-52(84)66(100)78-47(29-31-55(73)90)62(96)75-45(20-13-14-33-72)61(95)79-49(38-43-25-27-44(89)28-26-43)68(102)85-36-17-23-53(85)69(103)83-34-15-21-51(83)65(99)77-46/h25-28,40-42,45-54,57-58,87-89H,6-24,29-39,72H2,1-5H3,(H2,73,90)(H,74,101)(H,75,96)(H,76,94)(H,77,99)(H,78,100)(H,79,95)(H,80,93)(H,81,98)(H,82,97)(H,91,92)/t40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-,57-,58-/m0/s1" . "N#Cc1ncnc(c1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(c1)F" . "N#Cc1ncnc(c1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(c1)F" . "SJVGFKBLUYAEOK-SFHVURJKSA-N" . "InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1" . "Cc1ncc(nc1)C(=O)N[C@H]1CCCCC/C=C/[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1" . "Cc1ncc(nc1)C(=O)N[C@H]1CCCCC/C=C/[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1" . "UAUIUKWPKRJZJV-QPLHLKROSA-N" . "InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1" . "[O-][n+]1cccc(c1)CCOc1ccc(c2c1cccc2)Cl" . "[O-][n+]1cccc(c1)CCOc1ccc(c2c1cccc2)Cl" . "FXOVKEUUTXBOJZ-UHFFFAOYSA-N" . "InChI=1S/C17H14ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-13-4-3-10-19(20)12-13/h1-8,10,12H,9,11H2" . "CCCCCCSc1nc(O)cc(=O)[nH]1" . "CCCCCCSc1nc(O)cc(=O)[nH]1" . "UYXOAKRMLQKLQX-UHFFFAOYSA-N" . "InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-15-10-11-8(13)7-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)" . "O=C1C=CC(=NC(=O)C)C=C1" . "O=C1C=CC(=NC(=O)C)C=C1" . "URNSECGXFRDEDC-UHFFFAOYSA-N" . "InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C" . "PIDFDZJZLOTZTM-KHVQSSSXSA-N" . "InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1" . "COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C3)CC2)C(C)C" . "COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C3)CC2)C(C)C" . "VRTWBAAJJOHBQU-KMWAZVGDSA-N" . "InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1" . "COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)ccc(c2)NS(=O)(=O)C" . "COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)ccc(c2)NS(=O)(=O)C" . "NBRBXGKOEOGLOI-UHFFFAOYSA-N" . "InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)" . "COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2c(c1)COc1c2cc2ccc3c(c2c1)nc([nH]3)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C" . "COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2c(c1)COc1c2cc2ccc3c(c2c1)nc([nH]3)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C" . "FHCUMDQMBHQXKK-CDIODLITSA-N" . "InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c(n1)cc(c(c2)[C@H]1CC[C@@H](N1c1cc(F)c(c(c1)F)N1CCC(CC1)c1ccc(cc1)F)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@H]([C@H](OC)C)NC(=O)OC)F)[C@H](OC)C" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c(n1)cc(c(c2)[C@H]1CC[C@@H](N1c1cc(F)c(c(c1)F)N1CCC(CC1)c1ccc(cc1)F)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@H]([C@H](OC)C)NC(=O)OC)F)[C@H](OC)C" . "VJYSBPDEJWLKKJ-NLIMODCCSA-N" . "InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1" . "O=C1O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2c(O[C@H]3CN(C(=O)[C@@H](N1)C(C)(C)C)[C@@H](C3)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)nc1c(n2)cccc1" . "O=C1O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2c(O[C@H]3CN(C(=O)[C@@H](N1)C(C)(C)C)[C@@H](C3)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)nc1c(n2)cccc1" . "MLSQGNCUYAMAHD-ITNVBOSISA-N" . "InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C" . "FKRSSPOQAMALKA-CUPIEXAXSA-N" . "InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1" . "C[C@@H](c1ccccc1)Nc1cc(=O)n(c(=O)[nH]1)C(C)C" . "C[C@@H](c1ccccc1)Nc1cc(=O)n(c(=O)[nH]1)C(C)C" . "RLCLASQCAPXVLM-NSHDSACASA-N" . "InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1" . "Clc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1" . "Clc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1" . "JSUODDTVALGQAK-UHFFFAOYSA-N" . "InChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)" . "O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O" . "O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O" . "MPDGHEJMBKOTSU-YKLVYJNSSA-N" . "InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1" . "COc1ccc2c(c1)[nH]c(c(c2=O)C)c1cnn(c1)Cc1ccc(cc1)OC(F)(F)F" . "COc1ccc2c(c1)[nH]c(c(c2=O)C)c1cnn(c1)Cc1ccc(cc1)OC(F)(F)F" . "CJKMEXVEIKDLMA-UHFFFAOYSA-N" . "InChI=1S/C22H18F3N3O3/c1-13-20(27-19-9-17(30-2)7-8-18(19)21(13)29)15-10-26-28(12-15)11-14-3-5-16(6-4-14)31-22(23,24)25/h3-10,12H,11H2,1-2H3,(H,27,29)" . "COc1ccc(cc1)NC(=O)N[C@@H](C(=O)NCC1(CCCCC1)c1cccnc1)Cc1c[nH]c2c1cccc2" . "COc1ccc(cc1)NC(=O)N[C@@H](C(=O)NCC1(CCCCC1)c1cccnc1)Cc1c[nH]c2c1cccc2" . "INNVRNIOVHJSQS-MUUNZHRXSA-N" . "InChI=1S/C31H35N5O3/c1-39-25-13-11-24(12-14-25)35-30(38)36-28(18-22-19-33-27-10-4-3-9-26(22)27)29(37)34-21-31(15-5-2-6-16-31)23-8-7-17-32-20-23/h3-4,7-14,17,19-20,28,33H,2,5-6,15-16,18,21H2,1H3,(H,34,37)(H2,35,36,38)/t28-/m1/s1" . "COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(c1c2cccc1)C(=O)NC(C)(C)C" . "COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(c1c2cccc1)C(=O)NC(C)(C)C" . "KERMKRMLWZLZAK-UHFFFAOYSA-N" . "InChI=1S/C27H28N2O3/c1-27(2,3)28-25(30)24-22-13-9-8-12-20(22)21-15-14-19(32-4)16-23(21)26(31)29(24)17-18-10-6-5-7-11-18/h5-16,24H,17H2,1-4H3,(H,28,30)" . "CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)C(C)C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)C" . "CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)C(C)C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)C" . "SVVDBCGUBZWHSS-FPFNSDSHSA-N" . "InChI=1S/C72H112N24O18/c1-34(2)23-47(60(76)103)92-68(111)49(25-36(5)6)94-69(112)51(27-40-30-79-33-84-40)87-58(102)32-83-71(114)59(37(7)8)96-61(104)38(9)85-67(110)50(26-39-29-81-42-14-11-10-13-41(39)42)95-66(109)46(17-20-54(74)98)91-70(113)52(28-55(75)99)88-57(101)31-82-62(105)48(24-35(3)4)93-63(106)43(15-12-22-80-72(77)78)89-65(108)45(16-19-53(73)97)90-64(107)44-18-21-56(100)86-44/h10-11,13-14,29-30,33-38,43-52,59,81H,12,15-28,31-32H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,84)(H,82,105)(H,83,114)(H,85,110)(H,86,100)(H,87,102)(H,88,101)(H,89,108)(H,90,107)(H,91,113)(H,92,111)(H,93,106)(H,94,112)(H,95,109)(H,96,104)(H4,77,78,80)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)CCl)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CCCCCCCCC)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)CCl)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CCCCCCCCC)CCCNC(=N)N" . "NHBJTTGFHCHQHS-VZTVMPNDSA-N" . "InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1" . "FCC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C" . "FCC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C" . "ASXVEBPEZMSPHB-PKHIMPSTSA-N" . "InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1" . "Cn1nc(nc2c1nc(=O)n(c2=O)C)c1ccc(cc1)C(F)(F)F" . "Cn1nc(nc2c1nc(=O)n(c2=O)C)c1ccc(cc1)C(F)(F)F" . "XRVMPTWWKLKLPB-UHFFFAOYSA-N" . "InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3" . "OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OCCCCCCCCOc1ccc2c(c1)cccn2)O" . "OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OCCCCCCCCOc1ccc2c(c1)cccn2)O" . "PHDIJLFSKNMCMI-ITGJKDDRSA-N" . "InChI=1S/C23H33NO7/c25-15-19-20(26)22(21(27)23(28)31-19)30-13-6-4-2-1-3-5-12-29-17-9-10-18-16(14-17)8-7-11-24-18/h7-11,14,19-23,25-28H,1-6,12-13,15H2/t19-,20-,21-,22+,23?/m1/s1" . "COc1ccc2c(c1)C(=C(CO2)CN1CCCC1)c1ccc(cc1)F" . "COc1ccc2c(c1)C(=C(CO2)CN1CCCC1)c1ccc(cc1)F" . "VMMKGVRPILDZML-UHFFFAOYSA-N" . "InChI=1S/C21H22FNO2/c1-24-18-8-9-20-19(12-18)21(15-4-6-17(22)7-5-15)16(14-25-20)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3" . "O=C(N1CCC(CC1)NC(=O)C(c1ccccc1)C1CCCCC1)CCc1cccnc1" . "O=C(N1CCC(CC1)NC(=O)C(c1ccccc1)C1CCCCC1)CCc1cccnc1" . "RMFOYNMWESQGBZ-UHFFFAOYSA-N" . "InChI=1S/C27H35N3O2/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,17,20,23-24,26H,2,5-6,11-16,18-19H2,(H,29,32)" . "CCCCCCCCCc1cc(O)cc(=O)[nH]1" . "CCCCCCCCCc1cc(O)cc(=O)[nH]1" . "JCINCSYDDSRQQC-UHFFFAOYSA-N" . "InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(16)11-14(17)15-12/h10-11H,2-9H2,1H3,(H2,15,16,17)" . "OCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O" . "OCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O" . "QDIMHKWNHMVDJB-WBAXXEDZSA-N" . "InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COP(=O)(O)O)C[C@@H]1CCNC1=O)CC(C)C" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COP(=O)(O)O)C[C@@H]1CCNC1=O)CC(C)C" . "FQKALOFOWPDTED-WBAXXEDZSA-N" . "InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1" . "CC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c1c3c3c(c2O)c(O)cc(c3c2c1c(c4O)c(O)cc2O)O)C" . "CC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c1c3c3c(c2O)c(O)cc(c3c2c1c(c4O)c(O)cc2O)O)C" . "YDOIFHVUBCIUHF-UHFFFAOYSA-N" . "InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3" . "OCCN1CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2" . "OCCN1CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2" . "YNZFUWZUGRBMHL-UHFFFAOYSA-N" . "InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2" . "C#C[C@]1(O)C=C[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "C#C[C@]1(O)C=C[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "SIGSPDASOTUPFS-XUDSTZEESA-N" . "InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1" . "O=C1CC[C@H]2C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C" . "O=C1CC[C@H]2C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C" . "KZUIYQJTUIACIG-YBZCJVABSA-N" . "InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1" . "Nc1nc(=O)n(cc1F)[C@@H]1CS[C@@H](O1)CO" . "Nc1nc(=O)n(cc1F)[C@@H]1CS[C@@H](O1)CO" . "XQSPYNMVSIKCOC-NTSWFWBYSA-N" . "InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1" . "CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C" . "CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C" . "CJBJHOAVZSMMDJ-HEXNFIEUSA-N" . "InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1" . "O=C(C1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(c1)Cl)NCc1ccc(cc1)F" . "O=C(C1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(c1)Cl)NCc1ccc(cc1)F" . "VUOYAALVGSMUHC-UHFFFAOYSA-N" . "InChI=1S/C19H19Cl2FN2O3S/c20-15-9-16(21)11-18(10-15)28(26,27)24-7-5-14(6-8-24)19(25)23-12-13-1-3-17(22)4-2-13/h1-4,9-11,14H,5-8,12H2,(H,23,25)" . "NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1" . "NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1" . "BENFXAYNYRLAIU-QSVFAHTRSA-N" . "InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1" . "O=C(c1ccc2n(c1)c(=O)c1c(n2)ccc(c1)C(C)C)NCCN1CCN(CC1)c1ccccc1" . "O=C(c1ccc2n(c1)c(=O)c1c(n2)ccc(c1)C(C)C)NCCN1CCN(CC1)c1ccccc1" . "XYYIYKRFSGVWQQ-UHFFFAOYSA-N" . "InChI=1S/C28H31N5O2/c1-20(2)21-8-10-25-24(18-21)28(35)33-19-22(9-11-26(33)30-25)27(34)29-12-13-31-14-16-32(17-15-31)23-6-4-3-5-7-23/h3-11,18-20H,12-17H2,1-2H3,(H,29,34)" . "O=C(Nc1ccc[n+](c1)Cc1ccc(c(c1)Cl)Cl)COc1ccc(c(c1)Cl)Cl" . "O=C(Nc1ccc[n+](c1)Cc1ccc(c(c1)Cl)Cl)COc1ccc(c(c1)Cl)Cl" . "BJJNHDXKMSVOMG-UHFFFAOYSA-O" . "InChI=1S/C20H14Cl4N2O2/c21-16-5-3-13(8-18(16)23)10-26-7-1-2-14(11-26)25-20(27)12-28-15-4-6-17(22)19(24)9-15/h1-9,11H,10,12H2/p+1" . "O=C(C[N+](CC(=O)Nc1cccc(c1)C(F)(F)F)(C)C)Nc1cccc(c1)C(F)(F)F" . "O=C(C[N+](CC(=O)Nc1cccc(c1)C(F)(F)F)(C)C)Nc1cccc(c1)C(F)(F)F" . "YXFFXVOWPKYLNW-UHFFFAOYSA-O" . "InChI=1S/C20H19F6N3O2/c1-29(2,11-17(30)27-15-7-3-5-13(9-15)19(21,22)23)12-18(31)28-16-8-4-6-14(10-16)20(24,25)26/h3-10H,11-12H2,1-2H3,(H-,27,28,30,31)/p+1" . 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"NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCC(=O)O)C(C)C)CCC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)CC(=O)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCCN)CCC(=O)O)CC(C)C)CCC(=O)N)CCCCN)Cc1ccc(cc1)O)CCC(=O)O)CCSC)CCCNC(=N)N)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)O)CC(C)C)C)CCC(=O)O)C)CO)CCSC)CCCNC(=N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)Cc1ccccc1)CCSC" . "NDMHMGNPFJKEIS-HNVXLNGZSA-N" . "NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1" . "NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1" . "SCPYAGLHLAAYFP-UHFFFAOYSA-N" . "InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)" . "O=C[C@H](O[C@@H](n1cnc2c1ncnc2N)C=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "O=C[C@H](O[C@@H](n1cnc2c1ncnc2N)C=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "ZOSTZYMLOPBGQI-NKWVEPMBSA-N" . "InChI=1S/C10H14N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1" . "O=C1CC(=O)N(c2c(N1)c1ccccc1cc2)c1cccc(c1)c1noc(=S)[nH]1" . "O=C1CC(=O)N(c2c(N1)c1ccccc1cc2)c1cccc(c1)c1noc(=S)[nH]1" . "BNMITFGQPNUZHK-UHFFFAOYSA-N" . "InChI=1S/C21H14N4O3S/c26-17-11-18(27)25(14-6-3-5-13(10-14)20-23-21(29)28-24-20)16-9-8-12-4-1-2-7-15(12)19(16)22-17/h1-10H,11H2,(H,22,26)(H,23,24,29)" . "COC(=O)N1CCC[C@H](C1)Cc1c(nc2n1ccc(c2)C)c1c(F)cc(cc1F)C(=O)NC" . "COC(=O)N1CCC[C@H](C1)Cc1c(nc2n1ccc(c2)C)c1c(F)cc(cc1F)C(=O)NC" . "HHJIZLMOCIYWJF-HNNXBMFYSA-N" . "InChI=1S/C24H26F2N4O3/c1-14-6-8-30-19(10-15-5-4-7-29(13-15)24(32)33-3)22(28-20(30)9-14)21-17(25)11-16(12-18(21)26)23(31)27-2/h6,8-9,11-12,15H,4-5,7,10,13H2,1-3H3,(H,27,31)/t15-/m0/s1" . "O=Cc1c(COP(=O)(O)O)c(N=Nc2ccc(cc2)C(=O)O)nc(c1O)C" . "O=Cc1c(COP(=O)(O)O)c(N=Nc2ccc(cc2)C(=O)O)nc(c1O)C" . "NPBWMMRUXMTIRC-UHFFFAOYSA-N" . "InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)" . "CCCCC1CCC(CC1)OC(=O)N[C@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)CC(C)C" . "CCCCC1CCC(CC1)OC(=O)N[C@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)CC(C)C" . "FOLCUFKJHSQMEL-BIXPGCQOSA-N" . "InChI=1S/C24H41N3O5/c1-4-5-6-17-7-9-20(10-8-17)32-24(31)27-21(13-16(2)3)23(30)26-19(15-28)14-18-11-12-25-22(18)29/h15-21H,4-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18-,19-,20?,21-/m0/s1" . "CCOCCCc1cnc[nH]1" . "CCOCCCc1cnc[nH]1" . "RSHKAUMLIJVWFJ-UHFFFAOYSA-N" . "InChI=1S/C8H14N2O/c1-2-11-5-3-4-8-6-9-7-10-8/h6-7H,2-5H2,1H3,(H,9,10)" . "CCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)CO" . "CCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)CO" . "GPNHMOZDMYNCPO-PDUMRIMRSA-N" . "InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1" . "Clc1ccc2c(c1)nc(n2Cc1ccccc1)N1CCNCC1" . "Clc1ccc2c(c1)nc(n2Cc1ccccc1)N1CCNCC1" . "RDAXAGXJSCEYLT-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN4/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2" . "CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O" . "CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O" . "IRSFLDGTOHBADP-UHFFFAOYSA-N" . "InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3" . "O=C(Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O" . "O=C(Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O" . "VNPQLQQGQYADEZ-UHFFFAOYSA-N" . "InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)" . "Clc1ccc(c(c1)C(F)(F)F)NC(=O)c1nocc1" . "Clc1ccc(c(c1)C(F)(F)F)NC(=O)c1nocc1" . "COZVUVXNGYGPKO-UHFFFAOYSA-N" . "InChI=1S/C11H6ClF3N2O2/c12-6-1-2-8(7(5-6)11(13,14)15)16-10(18)9-3-4-19-17-9/h1-5H,(H,16,18)" . "COc1ccccc1Nc1nc2c(s1)cccc2" . "COc1ccccc1Nc1nc2c(s1)cccc2" . "OAXDBPDAUUFQFJ-UHFFFAOYSA-N" . "InChI=1S/C14H12N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2-9H,1H3,(H,15,16)" . "CC(NC(=O)COc1c(C)cc(cc1C)Cl)C" . "CC(NC(=O)COc1c(C)cc(cc1C)Cl)C" . "GMPVHSCTBWUYRE-UHFFFAOYSA-N" . "InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-13-9(3)5-11(14)6-10(13)4/h5-6,8H,7H2,1-4H3,(H,15,16)" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)Cc1ccccc1)N" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)Cc1ccccc1)N" . "VWBPRJXOZDIUPZ-VGWMRTNUSA-N" . "InChI=1S/C22H35N9O6/c23-13(11-32)19(35)31-16(9-12-5-2-1-3-6-12)21(37)29-14(7-4-8-28-22(26)27)20(36)30-15(18(25)34)10-17(24)33/h1-3,5-6,13-16,32H,4,7-11,23H2,(H2,24,33)(H2,25,34)(H,29,37)(H,30,36)(H,31,35)(H4,26,27,28)/t13-,14-,15-,16-/m0/s1" . "FCCOc1cccc(c1F)c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(c1=O)C[C@H](N1CCCC1=O)c1ccccc1" . "FCCOc1cccc(c1F)c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(c1=O)C[C@H](N1CCCC1=O)c1ccccc1" . "YNSHZGLASDJCCG-SANMLTNESA-N" . "InChI=1S/C33H29F6N3O4/c1-20-29(22-10-5-13-27(30(22)36)46-17-15-34)31(44)42(19-26(21-8-3-2-4-9-21)40-16-7-14-28(40)43)32(45)41(20)18-23-24(33(37,38)39)11-6-12-25(23)35/h2-6,8-13,26H,7,14-19H2,1H3/t26-/m0/s1" . "CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O" . "CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O" . "NTYVAKNEYLJAPT-UHFFFAOYSA-N" . "InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3" . "CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C" . "CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C" . "NYHLRBMDXQBOIB-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21)" . "OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N1CCCC1" . "OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N1CCCC1" . "RFJKJKQQWXKVTD-UHFFFAOYSA-N" . "InChI=1S/C29H24ClN5O2S2/c30-21-7-3-20(4-8-21)28-33-22(17-38-28)18-39-29-25(16-32)26(19-5-9-23(10-6-19)37-14-13-36)24(15-31)27(34-29)35-11-1-2-12-35/h3-10,17,36H,1-2,11-14,18H2" . "OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N" . "OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N" . "CITWCLNVRIKQAF-UHFFFAOYSA-N" . "InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)" . "OCCCCN(C(=O)Nc1ccc(cc1)CN)Cc1ccc(cc1)C(=O)NO" . "OCCCCN(C(=O)Nc1ccc(cc1)CN)Cc1ccc(cc1)C(=O)NO" . "VTRGFHYHEAEHGS-UHFFFAOYSA-N" . "InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26)" . "O=C(c1[nH]cc(c1C)Cc1ccc(nc1)C(F)(F)F)NC1CC1" . "O=C(c1[nH]cc(c1C)Cc1ccc(nc1)C(F)(F)F)NC1CC1" . "AFOVOYRODSYDMK-UHFFFAOYSA-N" . "InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)" . "Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N" . "Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N" . "OJGDCBLYJGHCIH-UHFFFAOYSA-N" . "InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1CCC(CC1)(F)F)CC(C)C)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1CCC(CC1)(F)F)CC(C)C)C[C@@H]1CCNC1=O" . "COXVPYKZDDKVRF-ULQDDVLXSA-N" . "InChI=1S/C21H33F2N3O5/c1-13(2)9-17(19(29)25-16(11-27)10-15-5-8-24-18(15)28)26-20(30)31-12-14-3-6-21(22,23)7-4-14/h11,13-17H,3-10,12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)/t15-,16-,17-/m0/s1" . "COc1c/c(=C/2/C=c3c(=N2)cccc3)/[nH]/c/1=C/c1[nH]c(cc1C)C" . "COc1c/c(=C/2/C=c3c(=N2)cccc3)/[nH]/c/1=C/c1[nH]c(cc1C)C" . "CVCLJVVBHYOXDC-LKIBBAOUSA-N" . "InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21,23H,1-3H3/b18-17+,19-10-" . "c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2" . "c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2" . "VFTRKSBEFQDZKX-UHFFFAOYSA-N" . "InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2" . "C[C@@H]1CC[C@H]([C@H](C1)P(=O)(c1ccccc1)c1ccccc1)C(C)C" . "C[C@@H]1CC[C@H]([C@H](C1)P(=O)(c1ccccc1)c1ccccc1)C(C)C" . "BPCNGVCAHAIZEE-COPCDDAFSA-N" . "InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1" . "CCCCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](c1ccc(nc1)OC)CC" . "CCCCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](c1ccc(nc1)OC)CC" . "BFQMQSIBOHOPCY-QGZVFWFLSA-N" . "InChI=1S/C20H27N3O4S/c1-4-6-13-28(25,26)23-18-10-8-7-9-16(18)20(24)22-17(5-2)15-11-12-19(27-3)21-14-15/h7-12,14,17,23H,4-6,13H2,1-3H3,(H,22,24)/t17-/m1/s1" . "N[C@H](Cn1nnc(n1)c1ccc(cc1)Oc1ncc(cc1F)Cl)CC(=O)O" . "N[C@H](Cn1nnc(n1)c1ccc(cc1)Oc1ncc(cc1F)Cl)CC(=O)O" . "ZEGMEJVULDALSH-NSHDSACASA-N" . "InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1" . "C[C@H](N1Cc2c(C1=O)c(cc(c2)c1sc(nc1C)Nc1cccc(n1)N1CCCC1=O)S(=O)(=O)C)C1CC1" . "C[C@H](N1Cc2c(C1=O)c(cc(c2)c1sc(nc1C)Nc1cccc(n1)N1CCCC1=O)S(=O)(=O)C)C1CC1" . "XOMFDZJQLSPGGV-INIZCTEOSA-N" . "InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1" . "Cn1ncc(c1)Nc1nccc(n1)c1ccc2c(c1)CN(CCC2NC(=O)c1nnn(c1)C(C)(C)C)C1COC1" . "Cn1ncc(c1)Nc1nccc(n1)c1ccc2c(c1)CN(CCC2NC(=O)c1nnn(c1)C(C)(C)C)C1COC1" . "JSAQBOQCZJHWMA-UHFFFAOYSA-N" . "InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)" . "OCC1OC(Sc2cncc(c2)Br)C(C(C1O)n1nnc(c1)c1cc(F)c(c(c1)F)F)O" . "OCC1OC(Sc2cncc(c2)Br)C(C(C1O)n1nnc(c1)c1cc(F)c(c(c1)F)F)O" . "FNCLKJPMEFPXOR-UHFFFAOYSA-N" . "InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2" . "NCC(c1nc(c([nH]1)c1ccc(c(c1)O)Cl)c1ccncc1)(C)C" . "NCC(c1nc(c([nH]1)c1ccc(c(c1)O)Cl)c1ccncc1)(C)C" . "YRHGMGAVJILIGS-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN4O/c1-18(2,10-20)17-22-15(11-5-7-21-8-6-11)16(23-17)12-3-4-13(19)14(24)9-12/h3-9,24H,10,20H2,1-2H3,(H,22,23)" . "CNC[C@H](c1cc(F)cc(c1)Br)NC(=O)c1ccc(cc1F)c1nc(cnc1N)[C@H]1CC[C@@H]([C@H](C1)F)O" . "CNC[C@H](c1cc(F)cc(c1)Br)NC(=O)c1ccc(cc1F)c1nc(cnc1N)[C@H]1CC[C@@H]([C@H](C1)F)O" . "YFCIFWOJYYFDQP-PTWZRHHISA-N" . "InChI=1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1" . "C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O" . "C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O" . "SGOIRFVFHAKUTI-ZCFIWIBFSA-N" . "InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1" . "Fc1ccc(cc1C(=O)N1CCN(CC1)c1ncccn1)Cn1c(=O)[nH]c(=O)c2c1cccc2F" . "Fc1ccc(cc1C(=O)N1CCN(CC1)c1ncccn1)Cn1c(=O)[nH]c(=O)c2c1cccc2F" . "VBTUJTGLLREMNW-UHFFFAOYSA-N" . "InChI=1S/C24H20F2N6O3/c25-17-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)13-16(17)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35)" . "CC(COc1ccc(cc1)c1cnc2n1nc(cc2)NC(c1cccc(c1)F)C)N" . "CC(COc1ccc(cc1)c1cnc2n1nc(cc2)NC(c1cccc(c1)F)C)N" . "HEVHTYMYEMEBPX-UHFFFAOYSA-N" . "InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)" . "CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2c(s1)cc(cc2)CN1CCN(CC1)C" . "CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2c(s1)cc(cc2)CN1CCN(CC1)C" . "NNVMPPRFBOTMMO-UHFFFAOYSA-N" . "InChI=1S/C27H33ClN6O4S/c1-3-38-23-16-20(28)19(15-22(23)34-10-12-37-13-11-34)25(35)30-26(36)31-27-29-21-5-4-18(14-24(21)39-27)17-33-8-6-32(2)7-9-33/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,29,30,31,35,36)" . "COc1ccc2c(n1)c(CCNC(=O)C)cn2CCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C/C=C/C1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)O)(C)C)S(=O)(=O)[O-]" . "COc1ccc2c(n1)c(CCNC(=O)C)cn2CCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C/C=C/C1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)O)(C)C)S(=O)(=O)[O-]" . "UCZXUWQDKMFXCJ-UHFFFAOYSA-N" . "InChI=1S/C45H56N6O9S2/c1-8-50-36-18-16-32(61(54,55)56)27-34(36)44(3,4)39(50)13-12-14-40-45(5,6)35-28-33(62(57,58)59)17-19-37(35)51(40)25-11-9-10-15-41(53)47-24-26-49-29-31(22-23-46-30(2)52)43-38(49)20-21-42(48-43)60-7/h12-14,16-21,27-29H,8-11,15,22-26H2,1-7H3,(H3-,46,47,52,53,54,55,56,57,58,59)" . "Fc1cc(Oc2ccccn2)cc(c1)N1Cc2c(S1(=O)=O)cccc2" . "Fc1cc(Oc2ccccn2)cc(c1)N1Cc2c(S1(=O)=O)cccc2" . "LDMHZAQFLWCKDT-UHFFFAOYSA-N" . "InChI=1S/C18H13FN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2" . "CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)N1)cc(c(c2)SC)OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CC)c1ccc(cc1)O" . "CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)N1)cc(c(c2)SC)OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CC)c1ccc(cc1)O" . "XULSCZPZVQIMFM-IPZQJPLYSA-N" . "InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1" . "C=CC(=O)N1CC2C(C1)CC(C2)n1nc(c2c1ncnc2N)c1ccc(cc1)C(=O)Nc1ccccn1" . "C=CC(=O)N1CC2C(C1)CC(C2)n1nc(c2c1ncnc2N)c1ccc(cc1)C(=O)Nc1ccccn1" . "YMCOZPHXLROTBV-UHFFFAOYSA-N" . "InChI=1S/C27H26N8O2/c1-2-22(36)34-13-18-11-20(12-19(18)14-34)35-26-23(25(28)30-15-31-26)24(33-35)16-6-8-17(9-7-16)27(37)32-21-5-3-4-10-29-21/h2-10,15,18-20H,1,11-14H2,(H2,28,30,31)(H,29,32,37)" . "COc1cc(OCc2ccnc(n2)Nc2cnn(c2)C)c(c2c1nc(s2)N[C@H]1CCCC[C@@H]1O)Cl" . "COc1cc(OCc2ccnc(n2)Nc2cnn(c2)C)c(c2c1nc(s2)N[C@H]1CCCC[C@@H]1O)Cl" . "JYFJGEOXSQLPMB-HOTGVXAUSA-N" . "InChI=1S/C23H26ClN7O3S/c1-31-11-14(10-26-31)28-22-25-8-7-13(27-22)12-34-17-9-18(33-2)20-21(19(17)24)35-23(30-20)29-15-5-3-4-6-16(15)32/h7-11,15-16,32H,3-6,12H2,1-2H3,(H,29,30)(H,25,27,28)/t15-,16-/m0/s1" . "O=C(c1ccc(c(c1)C#Cc1cnc2c(c1)cccc2)C)NNC(=O)c1c(C)cccc1Cl" . "O=C(c1ccc(c(c1)C#Cc1cnc2c(c1)cccc2)C)NNC(=O)c1c(C)cccc1Cl" . "ZQOBVMHBVWNVBG-UHFFFAOYSA-N" . "InChI=1S/C27H20ClN3O2/c1-17-10-12-22(26(32)30-31-27(33)25-18(2)6-5-8-23(25)28)15-20(17)13-11-19-14-21-7-3-4-9-24(21)29-16-19/h3-10,12,14-16H,1-2H3,(H,30,32)(H,31,33)" . "CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)C1CCNCC1" . "CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)C1CCNCC1" . "SGJLSPUSUBJWHO-UHFFFAOYSA-N" . "InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)" . "O=C(c1ccc2c(c1)OCCO2)CCC(=O)c1ccccc1" . "O=C(c1ccc2c(c1)OCCO2)CCC(=O)c1ccccc1" . "AOCDRSSVFUCURK-UHFFFAOYSA-N" . "InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2" . "CN(Cc1cncc(c1)c1cnc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C" . "CN(Cc1cncc(c1)c1cnc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C" . "YBBUGSYNPXTSGW-UHFFFAOYSA-N" . "InChI=1S/C26H21FN8/c1-35(2)14-15-6-17(10-28-9-15)18-8-20-24(33-34-25(20)30-11-18)26-31-22-13-29-12-21(23(22)32-26)16-4-3-5-19(27)7-16/h3-13H,14H2,1-2H3,(H,31,32)(H,30,33,34)" . "NCc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)C[C@@H]1SC1" . "NCc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)C[C@@H]1SC1" . "GRRDUDJQILRRES-OAHLLOKOSA-N" . "InChI=1S/C16H17NO3S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15H,9-11,17H2/t15-/m1/s1" . "O=C(c1nc(cnc1N)c1ncccc1C(F)(F)F)Nc1ncccc1N1CCC(CC1)(C)N" . "O=C(c1nc(cnc1N)c1ncccc1C(F)(F)F)Nc1ncccc1N1CCC(CC1)(C)N" . "XXJXHXJWQSCNPX-UHFFFAOYSA-N" . "InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)" . "Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2" . "Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2" . "LUUMLYXKTPBTQR-UHFFFAOYSA-N" . "InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)" . "Fc1ccc(cc1C(=O)N1CC(C1)CNC1CC1)Cc1n[nH]c(=O)c2c1cccc2" . "Fc1ccc(cc1C(=O)N1CC(C1)CNC1CC1)Cc1n[nH]c(=O)c2c1cccc2" . "YNBQAYKYNYRCCA-UHFFFAOYSA-N" . "InChI=1S/C23H23FN4O2/c24-20-8-5-14(10-21-17-3-1-2-4-18(17)22(29)27-26-21)9-19(20)23(30)28-12-15(13-28)11-25-16-6-7-16/h1-5,8-9,15-16,25H,6-7,10-13H2,(H,27,29)" . "O=C(c1coc(n1)CCNCCc1nc2c([nH]1)cccc2)NCc1ncccc1F" . "O=C(c1coc(n1)CCNCCc1nc2c([nH]1)cccc2)NCc1ncccc1F" . "KNYVRFXIVWUGBZ-UHFFFAOYSA-N" . "InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27)" . "CC[C@@H](C(=O)N[C@]1(C#N)C[C@@H]1c1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N" . "CC[C@@H](C(=O)N[C@]1(C#N)C[C@@H]1c1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N" . "LJIOTBMDLVHTBO-CUYJMHBOSA-N" . "InChI=1S/C25H31N5O3S/c1-3-23(27)24(31)28-25(17-26)16-22(25)20-6-4-18(5-7-20)19-8-10-21(11-9-19)34(32,33)30-14-12-29(2)13-15-30/h4-11,22-23H,3,12-16,27H2,1-2H3,(H,28,31)/t22-,23+,25+/m1/s1" . "C/C=C/C(=O)N(c1ccccc1C)CC" . "C/C=C/C(=O)N(c1ccccc1C)CC" . "DNTGGZPQPQTDQF-XBXARRHUSA-N" . "InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+" . "CC(OC1CN(C1)C(=O)NCc1ccc(cc1C)c1ccnc(n1)Nc1cnn(c1)C)C" . "CC(OC1CN(C1)C(=O)NCc1ccc(cc1C)c1ccnc(n1)Nc1cnn(c1)C)C" . "BMWMKGNVAMXXCH-UHFFFAOYSA-N" . "InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)" . "CN(CCCOc1c(OCc2ccccc2)cc(c2c1oc(cc2=O)c1ccccc1)O)C" . "CN(CCCOc1c(OCc2ccccc2)cc(c2c1oc(cc2=O)c1ccccc1)O)C" . "CZZGXKYKSUTFEU-UHFFFAOYSA-N" . "InChI=1S/C27H27NO5/c1-28(2)14-9-15-31-26-24(32-18-19-10-5-3-6-11-19)17-22(30)25-21(29)16-23(33-27(25)26)20-12-7-4-8-13-20/h3-8,10-13,16-17,30H,9,14-15,18H2,1-2H3" . "OC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(C)(C)C)C)NC(=O)OCc1ccccc1)CC1CCCCC1)C[C@@H]1CCNC1=O" . "OC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(C)(C)C)C)NC(=O)OCc1ccccc1)CC1CCCCC1)C[C@@H]1CCNC1=O" . "YIWYOEOSWRXENJ-FFXRMZKPSA-N" . "InChI=1S/C32H50N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,21-22,24-27,37H,5,7-8,11-12,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O" . "RUHYGYHBVKWREW-CMOCDZPBSA-N" . "InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-22H,10-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1" . "ClCC(=O)NC(c1cc(Cl)cc(c1)c1ccc(cc1)S(=O)(=O)N)C" . "ClCC(=O)NC(c1cc(Cl)cc(c1)c1ccc(cc1)S(=O)(=O)N)C" . "QXFHJCBKHQAQDM-UHFFFAOYSA-N" . "InChI=1S/C16H16Cl2N2O3S/c1-10(20-16(21)9-17)12-6-13(8-14(18)7-12)11-2-4-15(5-3-11)24(19,22)23/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23)" . "Clc1cncc(c1)OC(=O)c1cccc2c1cc[nH]2" . "Clc1cncc(c1)OC(=O)c1cccc2c1cc[nH]2" . "BOSZJNSICHFHMA-UHFFFAOYSA-N" . "InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H" . "COc1nc2ccc(cc2cc1[C@H]([C@](c1cccc2c1cccc2)(CCN(C)C)O)c1ccccc1)Br" . "COc1nc2ccc(cc2cc1[C@H]([C@](c1cccc2c1cccc2)(CCN(C)C)O)c1ccccc1)Br" . "QUIJNHUBAXPXFS-XLJNKUFUSA-N" . "InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1" . "Cc1cn2c(n1)c(C)cc(n2)c1cc(=O)n2c(n1)ccc(c2)N1CCNC2(C1)CC2" . "Cc1cn2c(n1)c(C)cc(n2)c1cc(=O)n2c(n1)ccc(c2)N1CCNC2(C1)CC2" . "ASKZRYGFUPSJPN-UHFFFAOYSA-N" . "InChI=1S/C22H23N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3" . "CN(CCC(c1ccccn1)c1ccccc1)C" . "CN(CCC(c1ccccn1)c1ccccc1)C" . "IJHNSHDBIRRJRN-UHFFFAOYSA-N" . "InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3" . "CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C" . "CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C" . "NSTRIRCPWQHTIA-DTRKZRJBSA-N" . "InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1" . "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(nn1)c1ccccc1" . "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(nn1)c1ccccc1" . "QTRXIFVSTWXRJJ-UHFFFAOYSA-N" . "InChI=1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)" . "N#Cc1ccc2c(c1C(F)(F)F)ccn2[C@@H](CS(=O)(=O)C)C" . "N#Cc1ccc2c(c1C(F)(F)F)ccn2[C@@H](CS(=O)(=O)C)C" . "SKDVMPZQJMZEAC-SECBINFHSA-N" . "InChI=1S/C14H13F3N2O2S/c1-9(8-22(2,20)21)19-6-5-11-12(19)4-3-10(7-18)13(11)14(15,16)17/h3-6,9H,8H2,1-2H3/t9-/m1/s1" . "O=C(Nc1ccc(cn1)c1cnccn1)Cc1cnc(c(c1)C)c1ccnc(c1)C" . "O=C(Nc1ccc(cn1)c1cnccn1)Cc1cnc(c(c1)C)c1ccnc(c1)C" . "XXYGTCZJJLTAGH-UHFFFAOYSA-N" . "InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)" . "O=C(Nc1ccc(cn1)N1CCN(CC1)C(=O)C)Cc1cnc(c(c1)C)c1ccnc(c1)F" . "O=C(Nc1ccc(cn1)N1CCN(CC1)C(=O)C)Cc1cnc(c(c1)C)c1ccnc(c1)F" . "AXXNRMISICMFNS-UHFFFAOYSA-N" . "InChI=1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33)" . "CN(c1scc(n1)c1ccccc1Cl)/N=C/c1ccccc1C(=O)O" . "CN(c1scc(n1)c1ccccc1Cl)/N=C/c1ccccc1C(=O)O" . "MWIQPUXVXAVFRM-KEBDBYFISA-N" . "InChI=1S/C18H14ClN3O2S/c1-22(20-10-12-6-2-3-7-13(12)17(23)24)18-21-16(11-25-18)14-8-4-5-9-15(14)19/h2-11H,1H3,(H,23,24)/b20-10+" . "Clc1ccccc1c1csc(n1)N/N=C/c1ccccc1C(=O)O" . "Clc1ccccc1c1csc(n1)N/N=C/c1ccccc1C(=O)O" . "DDEIFUOYHWEWSS-DJKKODMXSA-N" . "InChI=1S/C17H12ClN3O2S/c18-14-8-4-3-7-13(14)15-10-24-17(20-15)21-19-9-11-5-1-2-6-12(11)16(22)23/h1-10H,(H,20,21)(H,22,23)/b19-9+" . "CCC1(CC)NC(=N)N(C(=O)C1)[C@@H]1CCOc2c1cc(cc2)C(=O)N[C@H]1CC(C)(C)Oc2c1cccc2" . "CCC1(CC)NC(=N)N(C(=O)C1)[C@@H]1CCOc2c1cc(cc2)C(=O)N[C@H]1CC(C)(C)Oc2c1cccc2" . "ZSZSSSHEMYULPX-FCHUYYIVSA-N" . "InChI=1S/C29H36N4O4/c1-5-29(6-2)17-25(34)33(27(30)32-29)22-13-14-36-23-12-11-18(15-20(22)23)26(35)31-21-16-28(3,4)37-24-10-8-7-9-19(21)24/h7-12,15,21-22H,5-6,13-14,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t21-,22+/m0/s1" . "OC1CCN(CC1)CC(=O)Nc1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1" . "OC1CCN(CC1)CC(=O)Nc1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1" . "UPGUBLDTYLMRHO-UHFFFAOYSA-N" . "InChI=1S/C27H29N3O4/c31-22-12-14-30(15-13-22)18-26(32)29-21-7-11-27(28-17-21)33-23-8-10-25-20(16-23)6-9-24(34-25)19-4-2-1-3-5-19/h1-5,7-8,10-11,16-17,22,24,31H,6,9,12-15,18H2,(H,29,32)" . "O=C1CN=C(c2c(N1CN1CCCC1)ccc(c2)[N+](=O)[O-])c1ccccc1" . "O=C1CN=C(c2c(N1CN1CCCC1)ccc(c2)[N+](=O)[O-])c1ccccc1" . "CUVPPONHRDLGFB-UHFFFAOYSA-N" . "InChI=1S/C20H20N4O3/c25-19-13-21-20(15-6-2-1-3-7-15)17-12-16(24(26)27)8-9-18(17)23(19)14-22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11,13-14H2" . "FC(OCC(=O)N[C@H](c1cc(F)cc(c1COc1cccc2c1nc(C)cc2c1ncnn1C)Cl)C)F" . "FC(OCC(=O)N[C@H](c1cc(F)cc(c1COc1cccc2c1nc(C)cc2c1ncnn1C)Cl)C)F" . "ZTCLCSCHTACERP-AWEZNQCLSA-N" . "InChI=1S/C25H23ClF3N5O3/c1-13-7-18(24-30-12-31-34(24)3)16-5-4-6-21(23(16)32-13)36-10-19-17(8-15(27)9-20(19)26)14(2)33-22(35)11-37-25(28)29/h4-9,12,14,25H,10-11H2,1-3H3,(H,33,35)/t14-/m0/s1" . "C/C(=C/CC12OC(C3C42Oc2cccc(c2C(=O)C4=CC(C1=O)C3)O)(C)C)/COC(=O)c1cccnc1" . "C/C(=C/CC12OC(C3C42Oc2cccc(c2C(=O)C4=CC(C1=O)C3)O)(C)C)/COC(=O)c1cccnc1" . "ZSOFJUIAJLLJBK-CXUHLZMHSA-N" . "InChI=1S/C29H27NO7/c1-16(15-35-26(34)17-6-5-11-30-14-17)9-10-28-25(33)18-12-19-24(32)23-20(31)7-4-8-21(23)36-29(19,28)22(13-18)27(2,3)37-28/h4-9,11-12,14,18,22,31H,10,13,15H2,1-3H3/b16-9+" . "CCCc1nnc2n1c1ccccc1nc2Oc1ccc(cc1)NS(=O)(=O)c1cc(Cl)ccc1OC" . "CCCc1nnc2n1c1ccccc1nc2Oc1ccc(cc1)NS(=O)(=O)c1cc(Cl)ccc1OC" . "JTZBKOVVHITLRP-UHFFFAOYSA-N" . "InChI=1S/C25H22ClN5O4S/c1-3-6-23-28-29-24-25(27-19-7-4-5-8-20(19)31(23)24)35-18-12-10-17(11-13-18)30-36(32,33)22-15-16(26)9-14-21(22)34-2/h4-5,7-15,30H,3,6H2,1-2H3" . "Clc1ccc(c(c1)Cl)C(=O)OCCSc1ccc(c2c1non2)N(=O)=O" . "Clc1ccc(c(c1)Cl)C(=O)OCCSc1ccc(c2c1non2)N(=O)=O" . "HMEXVJMBPXPLKN-UHFFFAOYSA-N" . "InChI=1S/C15H9Cl2N3O5S/c16-8-1-2-9(10(17)7-8)15(21)24-5-6-26-12-4-3-11(20(22)23)13-14(12)19-25-18-13/h1-4,7H,5-6H2" . "NNCCc1ccccc1" . "NNCCc1ccccc1" . "RMUCZJUITONUFY-UHFFFAOYSA-N" . "InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2" . "N#Cc1cccc(c1C)c1nc(N)nc(c1)c1nnn(c1)Cc1cccc(n1)C(O)(C)C" . "N#Cc1cccc(c1C)c1nc(N)nc(c1)c1nnn(c1)Cc1cccc(n1)C(O)(C)C" . "BUXIAWLTBSXYSW-UHFFFAOYSA-N" . "InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)" . "Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl" . "Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl" . "NCWQLHHDGDXIJN-UHFFFAOYSA-N" . "InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)" . "OC[C@@H]1C=C[C@@H](C1)n1cnc2c1nc(N)nc2NC1CC1" . "OC[C@@H]1C=C[C@@H](C1)n1cnc2c1nc(N)nc2NC1CC1" . "MCGSCOLBFJQGHM-SCZZXKLOSA-N" . "InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1" . "Clc1cccc(c1C1=NOC2C1C1CCC2C1)Cl" . "Clc1cccc(c1C1=NOC2C1C1CCC2C1)Cl" . "NBXVMFMMTKYFQP-UHFFFAOYSA-N" . "InChI=1S/C14H13Cl2NO/c15-9-2-1-3-10(16)12(9)13-11-7-4-5-8(6-7)14(11)18-17-13/h1-3,7-8,11,14H,4-6H2" . "CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OCCCCCCCCCC" . "CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OCCCCCCCCCC" . "ICLAYQQKWJGHBV-XJZMHMBSSA-N" . "InChI=1S/C81H157N2O16P/c1-7-13-19-25-31-37-40-46-52-58-69(93-61-55-49-43-34-28-22-16-10-4)64-74(85)82-72(80(88)89)68-96-81-77(83-75(86)65-70(59-53-47-41-38-32-26-20-14-8-2)94-62-56-50-44-35-29-23-17-11-5)79(78(73(67-84)97-81)99-100(90,91)92)98-76(87)66-71(60-54-48-42-39-33-27-21-15-9-3)95-63-57-51-45-36-30-24-18-12-6/h69-73,77-79,81,84H,7-68H2,1-6H3,(H,82,85)(H,83,86)(H,88,89)(H2,90,91,92)/t69-,70-,71-,72+,73-,77-,78-,79-,81-/m1/s1" . "COc1ccc2c(c1)c(CCN1CCOCC1)c(n2C(=O)c1cccc(c1Cl)Cl)C" . "COc1ccc2c(c1)c(CCN1CCOCC1)c(n2C(=O)c1cccc(c1Cl)Cl)C" . "FSFZRNZSZYDVLI-UHFFFAOYSA-N" . "InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3" . "CNCc1ccccc1CN(C(=O)C(C)(C)C)CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2" . "CNCc1ccccc1CN(C(=O)C(C)(C)C)CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2" . "CKZLNCWDRQNNEQ-WJOKGBTCSA-N" . "InChI=1S/C31H35N5O3/c1-30(2,3)29(39)36(18-22-9-6-5-8-21(22)17-32-4)19-26(37)34-24-12-11-20-15-31(16-23(20)14-24)25-10-7-13-33-27(25)35-28(31)38/h5-14,32H,15-19H2,1-4H3,(H,34,37)(H,33,35,38)/t31-/m1/s1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)Cl" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)Cl" . "MHOHZJCELKBJCZ-XMMPIXPASA-N" . "InChI=1S/C26H28ClNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)F" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)F" . "IOSLINNLJFQMFF-XMMPIXPASA-N" . "InChI=1S/C26H28FNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccc(cc1)Cl" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccc(cc1)Cl" . "YYCORJSTUXRKOM-XMMPIXPASA-N" . "InChI=1S/C26H28ClNO3/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccccc1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccccc1" . "SPXSEZMVRJLHQG-XMMPIXPASA-N" . "InChI=1S/C26H29NO3/c28-18-24-8-5-15-27(24)17-21-11-13-23(14-12-21)20-30-26-10-4-9-25(16-26)29-19-22-6-2-1-3-7-22/h1-4,6-7,9-14,16,24,28H,5,8,15,17-20H2/t24-/m1/s1" . "C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC" . "C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC" . "KSEYRUGYKHXGFW-UHFFFAOYSA-N" . "InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)" . "NC(=O)C1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)C" . "NC(=O)C1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)C" . "BQDBKDMTIJBJLA-UHFFFAOYSA-N" . "InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)" . "Fc1c[nH]c(=O)c(n1)C(=O)N" . "Fc1c[nH]c(=O)c(n1)C(=O)N" . "ZCGNOVWYSGBHAU-UHFFFAOYSA-N" . "InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)" . "Cc1ccccc1N(C1Cc2c(C1)cccc2)CC[C@H]1CCCC[N+]1(C)C" . "Cc1ccccc1N(C1Cc2c(C1)cccc2)CC[C@H]1CCCC[N+]1(C)C" . "MSOHOVLMACCLHW-XMMPIXPASA-N" . "InChI=1S/C25H35N2/c1-20-10-4-7-14-25(20)26(16-15-24-13-8-9-17-27(24,2)3)23-18-21-11-5-6-12-22(21)19-23/h4-7,10-12,14,23-24H,8-9,13,15-19H2,1-3H3/q+1/t24-/m1/s1" . "COC(=O)N[C@@H](C(C)(C)C)C(=O)NN(Cc1ccc(cc1)c1ccccn1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O" . "COC(=O)N[C@@H](C(C)(C)C)C(=O)NN(Cc1ccc(cc1)c1ccccn1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O" . "AXRYRYVKAWYZBR-GASGPIRDSA-N" . "InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1" . "CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O" . "CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O" . "JWHYSEDOYMYMNM-QGZVFWFLSA-N" . "InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1" . "O=c1[nH]c(SCCN2CCN(CC2)c2ccccn2)nc2c1cccc2" . "O=c1[nH]c(SCCN2CCN(CC2)c2ccccn2)nc2c1cccc2" . "AFXJUCILCGBUNX-UHFFFAOYSA-N" . "InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C2CC2)c(cc1N(CCN(C)C)C)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C2CC2)c(cc1N(CCN(C)C)C)OC" . "DOEOECWDNSEFDN-UHFFFAOYSA-N" . "InChI=1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)" . "CSc1ccc(cc1)C(=O)/C=C/c1cc(C)c(c(c1)C)OC(C(=O)O)(C)C" . "CSc1ccc(cc1)C(=O)/C=C/c1cc(C)c(c(c1)C)OC(C(=O)O)(C)C" . "AFLFKFHDSCQHOL-IZZDOVSWSA-N" . "InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+" . "CNC(=O)[C@@]1(N)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "CNC(=O)[C@@]1(N)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "DCAYZGCTSXLIHO-FYCNXDEQSA-N" . "InChI=1S/C27H23N5O3/c1-26-27(28,25(34)29-2)11-18(35-26)31-16-9-5-3-7-13(16)20-21-15(12-30-24(21)33)19-14-8-4-6-10-17(14)32(26)23(19)22(20)31/h3-10,18H,11-12,28H2,1-2H3,(H,29,34)(H,30,33)/t18-,26+,27-/m0/s1" . "OC(=O)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C(C)C)CS(=O)(=O)C(C)C)c1ccc(cc1)Cl" . "OC(=O)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C(C)C)CS(=O)(=O)C(C)C)c1ccc(cc1)Cl" . "DRLCSJFKKILATL-YWCVFVGNSA-N" . "InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1" . "OC(=O)Cc1ccc(cc1)NCc1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C" . "OC(=O)Cc1ccc(cc1)NCc1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C" . "SPZFHDGEKBUECT-UHFFFAOYSA-N" . "InChI=1S/C28H25Cl3N2O4/c1-16(2)28-21(27(33-37-28)26-22(29)4-3-5-23(26)30)15-36-20-11-8-18(24(31)13-20)14-32-19-9-6-17(7-10-19)12-25(34)35/h3-11,13,16,32H,12,14-15H2,1-2H3,(H,34,35)" . "OC(=O)[C@@H]1N2[C@H](O/C/1=C/CO)CC2=O" . "OC(=O)[C@@H]1N2[C@H](O/C/1=C/CO)CC2=O" . "HZZVJAQRINQKSD-PBFISZAISA-N" . "InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1" . "CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@@]3(O[C@@H]2[C@H]([C@H]1O)NC)O" . "CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@@]3(O[C@@H]2[C@H]([C@H]1O)NC)O" . "UNFWWIHTNXNPBV-WXKVUWSESA-N" . "InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1" . "OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C" . "OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C" . "MTHORRSSURHQPZ-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)" . "ONC(=O)/C=C/c1cc(cn1C)/C=C/C(=O)c1cccc(c1)F" . "ONC(=O)/C=C/c1cc(cn1C)/C=C/C(=O)c1cccc(c1)F" . "QRDAPCMJAOQZSU-KQQUZDAGSA-N" . "InChI=1S/C17H15FN2O3/c1-20-11-12(9-15(20)6-8-17(22)19-23)5-7-16(21)13-3-2-4-14(18)10-13/h2-11,23H,1H3,(H,19,22)/b7-5+,8-6+" . "ONC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1" . "ONC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1" . "LIIWIMDSZVNYHY-UHFFFAOYSA-N" . "InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)" . "ONC(=O)c1ccc(c(c1)F)CN(CC12CC3CC(C2)CC(C1)C3)C" . "ONC(=O)c1ccc(c(c1)F)CN(CC12CC3CC(C2)CC(C1)C3)C" . "IGZQZELTOHAHNW-UHFFFAOYSA-N" . "InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)" . "ONC(=O)/C=C/c1ccc(cc1)CN(CC12CC3CC(C2)CC(C1)C3)C" . "ONC(=O)/C=C/c1ccc(cc1)CN(CC12CC3CC(C2)CC(C1)C3)C" . "WNIDBXBLQFPAJA-VOTSOKGWSA-N" . "InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+" . "CC([C@H](C(=O)N1CCC2(CC1)N(c1ccc3c(c1)cn[nH]3)C(=O)N(C2=O)C)NC(=O)c1cc(ccc1F)C(F)(F)F)C" . "CC([C@H](C(=O)N1CCC2(CC1)N(c1ccc3c(c1)cn[nH]3)C(=O)N(C2=O)C)NC(=O)c1cc(ccc1F)C(F)(F)F)C" . "CDSKRHGFXHZEQL-JOCHJYFZSA-N" . "InChI=1S/C28H28F4N6O4/c1-15(2)22(34-23(39)19-13-17(28(30,31)32)4-6-20(19)29)24(40)37-10-8-27(9-11-37)25(41)36(3)26(42)38(27)18-5-7-21-16(12-18)14-33-35-21/h4-7,12-15,22H,8-11H2,1-3H3,(H,33,35)(H,34,39)/t22-/m1/s1" . "COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2CC(F)(F)F)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2CC(F)(F)F)N1CCN(CC1)C" . "OQFCHSFVWSLDAO-UHFFFAOYSA-N" . "InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32)" . "COc1cnc(c2c1c(cn2COP(=O)(O)O)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)n1cnc(n1)C" . "COc1cnc(c2c1c(cn2COP(=O)(O)O)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)n1cnc(n1)C" . "SWMDAPWAQQTBOG-UHFFFAOYSA-N" . "InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)" . "O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1CCN(CC1)c1ccncc1)CC1CCNCC1)Cc1cc(C)c2c(c1)cn[nH]2" . "O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1CCN(CC1)c1ccncc1)CC1CCNCC1)Cc1cc(C)c2c(c1)cn[nH]2" . "LIPVCPUZWNTQHV-SAIUNTKASA-N" . "InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1" . "CCP(=O)(c1ccc2c(c1)nc(o2)c1ccc(cc1)F)OC" . "CCP(=O)(c1ccc2c(c1)nc(o2)c1ccc(cc1)F)OC" . "MNCZMYLRBLYUPR-UHFFFAOYSA-N" . "InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3" . "CCP(=O)(c1ccc2c(c1)nc(o2)c1cccc(c1)C(F)(F)F)OC" . "CCP(=O)(c1ccc2c(c1)nc(o2)c1cccc(c1)C(F)(F)F)OC" . "GIJPBJLOHMBSSM-UHFFFAOYSA-N" . "InChI=1S/C17H15F3NO3P/c1-3-25(22,23-2)13-7-8-15-14(10-13)21-16(24-15)11-5-4-6-12(9-11)17(18,19)20/h4-10H,3H2,1-2H3" . "CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2" . "CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2" . "KSGCNXAZROJSNW-UHFFFAOYSA-N" . "InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3" . "CCN(Cc1cccc(c1OC)c1cc2c([nH]1)nccc2c1ccc(c(c1)C(C)C)C(=O)O)CC" . "CCN(Cc1cccc(c1OC)c1cc2c([nH]1)nccc2c1ccc(c(c1)C(C)C)C(=O)O)CC" . "LVVFYPXMXIDWRP-UHFFFAOYSA-N" . "InChI=1S/C29H33N3O3/c1-6-32(7-2)17-20-9-8-10-23(27(20)35-5)26-16-25-21(13-14-30-28(25)31-26)19-11-12-22(29(33)34)24(15-19)18(3)4/h8-16,18H,6-7,17H2,1-5H3,(H,30,31)(H,33,34)" . "CN(Cc1ccc2c(n1)c(O)c(cc2Cl)Cl)C" . "CN(Cc1ccc2c(n1)c(O)c(cc2Cl)Cl)C" . "YZPOQCQXOSEMAZ-UHFFFAOYSA-N" . "InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3" . "CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(C)(C)C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O" . "CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(C)(C)C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O" . "GENYQFMDDNZIRG-UCWBBBRQSA-N" . "InChI=1S/C33H52N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-13,21-22,24-26,28H,8,14-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t22-,24+,25-,26+,28+/m1/s1" . "OC[C@H]([C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O)O" . "OC[C@H]([C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O)O" . "FDQSUXUTXIGUIA-PRIDNEQBSA-N" . "InChI=1S/C24H34N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,20,26,29-30H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-,20+/m0/s1" . "CN1CCN(CC1)C(=O)C1[C@@H]2CC[C@H](C1C(=O)O)O2" . "CN1CCN(CC1)C(=O)C1[C@@H]2CC[C@H](C1C(=O)O)O2" . "JUQMLSGOTNKJKI-IZUQBHJASA-N" . "InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1" . "CC[Si](O[C@@H]1CCC[C@@H]2[C@@H]1C[C@@H](C[C@@]2(C)C(=O)O)O[Si](C(C)(C)C)(C)C)(CC)CC" . "CC[Si](O[C@@H]1CCC[C@@H]2[C@@H]1C[C@@H](C[C@@]2(C)C(=O)O)O[Si](C(C)(C)C)(C)C)(CC)CC" . "WYYKYBVYKSTHEV-RSBOXOOMSA-N" . "InChI=1S/C24H48O4Si2/c1-10-30(11-2,12-3)28-21-15-13-14-20-19(21)16-18(17-24(20,7)22(25)26)27-29(8,9)23(4,5)6/h18-21H,10-17H2,1-9H3,(H,25,26)/t18-,19-,20+,21+,24+/m0/s1" . "O=C([C@@H](NC(=O)c1ccc(s1)CNc1cc(Cl)cnc1C)CC1CCCC1)NC1CC1" . "O=C([C@@H](NC(=O)c1ccc(s1)CNc1cc(Cl)cnc1C)CC1CCCC1)NC1CC1" . "IVDUVEGCMXCMSO-FQEVSTJZSA-N" . "InChI=1S/C23H29ClN4O2S/c1-14-19(11-16(24)12-25-14)26-13-18-8-9-21(31-18)23(30)28-20(10-15-4-2-3-5-15)22(29)27-17-6-7-17/h8-9,11-12,15,17,20,26H,2-7,10,13H2,1H3,(H,27,29)(H,28,30)/t20-/m0/s1" . "CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC" . "CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC" . "AUVVAXYIELKVAI-CKBKHPSWSA-N" . "InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1" . "OC(=O)c1nc(ccc1c1cnn(c1C)CC12CC3CC(C2)CC(C1)C3)N1CCc2c(C1)c(ccc2)C(=O)Nc1nc2c(s1)cccc2" . "OC(=O)c1nc(ccc1c1cnn(c1C)CC12CC3CC(C2)CC(C1)C3)N1CCc2c(C1)c(ccc2)C(=O)Nc1nc2c(s1)cccc2" . "QCQQONWEDCOTBV-UHFFFAOYSA-N" . "InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)" . "OC[C@H]1O[C@H](C([C@@H]1O)(F)F)N1CC[C@H](NC1=O)O" . "OC[C@H]1O[C@H](C([C@@H]1O)(F)F)N1CC[C@H](NC1=O)O" . "VUDZSIYXZUYWSC-DBRKOABJSA-N" . "InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1" . "Fc1ccc(cc1)Cn1c(N[C@@H](c2ccc(cc2)Cl)C)nc2c(c1=O)cnn2C(C)(C)C" . "Fc1ccc(cc1)Cn1c(N[C@@H](c2ccc(cc2)Cl)C)nc2c(c1=O)cnn2C(C)(C)C" . "BOOYHBPHFVNWNH-OAHLLOKOSA-N" . "InChI=1S/C24H25ClFN5O/c1-15(17-7-9-18(25)10-8-17)28-23-29-21-20(13-27-31(21)24(2,3)4)22(32)30(23)14-16-5-11-19(26)12-6-16/h5-13,15H,14H2,1-4H3,(H,28,29)/t15-/m1/s1" . "CO[C@]1(CNCC1)c1cccc(c1F)F" . "CO[C@]1(CNCC1)c1cccc(c1F)F" . "LJNFYMMXCXGFCP-LLVKDONJSA-N" . "InChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1" . "O=C(Nc1cc(nn1C)C(C)(C)C)Nc1ccc(cc1)Oc1ccncc1" . "O=C(Nc1cc(nn1C)C(C)(C)C)Nc1ccc(cc1)Oc1ccncc1" . "MHSLDASSAFCCDO-UHFFFAOYSA-N" . "InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)" . "CN(CCNC(=O)c1cc2c(cc1Oc1ccc(cc1F)F)cnn2CC(C)C)C" . "CN(CCNC(=O)c1cc2c(cc1Oc1ccc(cc1F)F)cnn2CC(C)C)C" . "IFGWYHGYNVGVRB-UHFFFAOYSA-N" . "InChI=1S/C22H26F2N4O2/c1-14(2)13-28-19-11-17(22(29)25-7-8-27(3)4)21(9-15(19)12-26-28)30-20-6-5-16(23)10-18(20)24/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,25,29)" . "CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)/C" . "CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)/C" . "QXACEHWTBCFNSA-SFQUDFHCSA-N" . "InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+" . "CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O" . "CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O" . "UVOLYTDXHDXWJU-UHFFFAOYSA-N" . "InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3" . "CCCc1cc(O)c(c(c1)O)[C@H]1C=C(C)CC[C@@H]1C(=C)C" . "CCCc1cc(O)c(c(c1)O)[C@H]1C=C(C)CC[C@@H]1C(=C)C" . "REOZWEGFPHTFEI-CVEARBPZSA-N" . "InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m1/s1" . "CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(CC3)C" . "CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(CC3)C" . "UCONUSSAWGCZMV-HZPDHXFCSA-N" . "InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1" . "O[C@@H]([C@@H](NC(=O)c1cccc(c1C)O)CSc1ccccc1)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C" . "O[C@@H]([C@@H](NC(=O)c1cccc(c1C)O)CSc1ccccc1)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C" . "QAGYKUNXZHXKMR-HKWSIXNMSA-N" . "InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1" . "CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C" . "CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C" . "KCFYEAOKVJSACF-UHFFFAOYSA-N" . "InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3" . "CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)CC)C)O)C" . "CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)CC)C)O)C" . "KQXDHUJYNAXLNZ-XQSDOZFQSA-N" . "InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1" . "OC(=NC(=N)O)Cc1ccccc1" . "OC(=NC(=N)O)Cc1ccccc1" . "XPFRXWCVYUEORT-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)" . "CCC(=O)Nc1cccc(c1)Oc1nc(ncc1I)Nc1ccc(cc1OC)N1CCN(CC1)C" . "CCC(=O)Nc1cccc(c1)Oc1nc(ncc1I)Nc1ccc(cc1OC)N1CCN(CC1)C" . "KQMWYEJQANQTDM-UHFFFAOYSA-N" . "InChI=1S/C25H29IN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N " . "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O" . "SGGIVBFIASEYOE-LBBUGJAGSA-N" . "InChI=1S/C45H71N15O9S/c1-70-23-19-33(59-42(67)35(25-29-14-6-3-7-15-29)56-37(62)27-54-36(61)26-55-38(63)30(47)24-28-12-4-2-5-13-28)41(66)58-31(17-10-21-52-44(48)49)39(64)57-32(18-11-22-53-45(50)51)40(65)60-34(43(68)69)16-8-9-20-46/h2-7,12-15,30-35H,8-11,16-27,46-47H2,1H3,(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H,60,65)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t30-,31-,32-,33-,34-,35-/m0/s1" . "Clc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2" . "Clc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2" . "PBXCPFNNNZUANE-UHFFFAOYSA-N" . "InChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27)" . "O=C(c1ccc2c(c1)cccc2)N/N=C/c1ccc(cc1)[N+](=O)[O-]" . "O=C(c1ccc2c(c1)cccc2)N/N=C/c1ccc(cc1)[N+](=O)[O-]" . "RUQCGNRXDVIDAJ-XDHOZWIPSA-N" . "InChI=1S/C18H13N3O3/c22-18(16-8-7-14-3-1-2-4-15(14)11-16)20-19-12-13-5-9-17(10-6-13)21(23)24/h1-12H,(H,20,22)/b19-12+" . "CCOc1ccc(nc1)c1nnc(n1c1ccccc1F)[C@@H]1C[C@H](C1)NC(=O)c1ccccn1" . "CCOc1ccc(nc1)c1nnc(n1c1ccccc1F)[C@@H]1C[C@H](C1)NC(=O)c1ccccn1" . "ZBRBBDJXHBEGHX-QAQDUYKDSA-N" . "InChI=1S/C25H23FN6O2/c1-2-34-18-10-11-20(28-15-18)24-31-30-23(32(24)22-9-4-3-7-19(22)26)16-13-17(14-16)29-25(33)21-8-5-6-12-27-21/h3-12,15-17H,2,13-14H2,1H3,(H,29,33)/t16-,17-" . "Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2" . "Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2" . "PUJKERUFRDZALE-UHFFFAOYSA-N" . "InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)C(C)C)CCCNC(=N)N)CCCCN)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCCN)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CO)CCCNC(=N)N)CCC(=O)O)CCC(=O)O)CCSC)CC(C)C)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)C(C)C)CCCNC(=N)N)CCCCN)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCCN)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CO)CCCNC(=N)N)CCC(=O)O)CCC(=O)O)CCSC)CC(C)C)CCCNC(=N)N" . "UDMRTOJWVGSXRR-OMVNHVILSA-N" . "InChI=1S/C190H323N71O45S/c1-100(2)89-132(170(295)244-116(43-19-23-74-193)155(280)243-125(54-34-85-227-190(216)217)169(294)258-148(103(7)8)177(302)256-133(90-101(3)4)171(296)245-122(51-31-82-224-187(210)211)160(285)248-128(62-67-141(197)265)166(291)249-129(64-69-146(271)272)167(292)254-134(93-105-37-13-12-14-38-105)172(297)255-135(173(298)259-149(104(9)10)180(305)306)94-107-95-228-111-40-16-15-39-109(107)111)253-163(288)117(44-20-24-75-194)238-161(286)124(53-33-84-226-189(214)215)251-176(301)139-56-36-87-261(139)179(304)136(91-102(5)6)257-168(293)130(71-88-307-11)250-164(289)126(63-68-145(269)270)233-143(267)98-231-175(300)138-55-35-86-260(138)178(303)131(65-70-147(273)274)252-162(287)123(52-32-83-225-188(212)213)246-174(299)137(99-262)234-144(268)97-230-151(276)112(45-25-76-218-181(198)199)235-156(281)118(47-27-78-220-183(202)203)240-158(283)120(49-29-80-222-185(206)207)242-165(290)127(61-66-140(196)264)247-159(284)121(50-30-81-223-186(208)209)241-157(282)119(48-28-79-221-184(204)205)239-154(279)115(42-18-22-73-192)237-153(278)114(41-17-21-72-191)236-152(277)113(46-26-77-219-182(200)201)232-142(266)96-229-150(275)110(195)92-106-57-59-108(263)60-58-106/h12-16,37-40,57-60,95,100-104,110,112-139,148-149,228,262-263H,17-36,41-56,61-94,96-99,191-195H2,1-11H3,(H2,196,264)(H2,197,265)(H,229,275)(H,230,276)(H,231,300)(H,232,266)(H,233,267)(H,234,268)(H,235,281)(H,236,277)(H,237,278)(H,238,286)(H,239,279)(H,240,283)(H,241,282)(H,242,290)(H,243,280)(H,244,295)(H,245,296)(H,246,299)(H,247,284)(H,248,285)(H,249,291)(H,250,289)(H,251,301)(H,252,287)(H,253,288)(H,254,292)(H,255,297)(H,256,302)(H,257,293)(H,258,294)(H,259,298)(H,269,270)(H,271,272)(H,273,274)(H,305,306)(H4,198,199,218)(H4,200,201,219)(H4,202,203,220)(H4,204,205,221)(H4,206,207,222)(H4,208,209,223)(H4,210,211,224)(H4,212,213,225)(H4,214,215,226)(H4,216,217,227)/t110-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-/m0/s1" . "Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C" . "Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C" . "UVERBUNNCOKGNZ-CQSZACIVSA-N" . "InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1" . "O[C@@H]1CC[C@H](CC1)NC(=O)CCCCCc1ccccc1" . "O[C@@H]1CC[C@H](CC1)NC(=O)CCCCCc1ccccc1" . "SUKXKLNDBLNTSW-QAQDUYKDSA-N" . "InChI=1S/C18H27NO2/c20-17-13-11-16(12-14-17)19-18(21)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2,(H,19,21)/t16-,17-" . "COc1cc2nccc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]cc1C" . "COc1cc2nccc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]cc1C" . "WCPMUQAUSFXFJE-UHFFFAOYSA-N" . "InChI=1S/C18H22N4O3S/c1-11-10-20-22-17(11)21-13-6-7-19-14-9-15(25-5)16(8-12(13)14)26(23,24)18(2,3)4/h6-10H,1-5H3,(H2,19,20,21,22)" . "Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1" . "Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1" . "MPGNABXYXOGUGH-UHFFFAOYSA-N" . "InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19)" . "C[C@@H](CC(=O)c1c(CCCCCCc2cccc(c2)Cl)n(c2c1cc(Cl)cc2)C)CC(=O)O" . "C[C@@H](CC(=O)c1c(CCCCCCc2cccc(c2)Cl)n(c2c1cc(Cl)cc2)C)CC(=O)O" . "XGNFPJZMWOIDAH-SFHVURJKSA-N" . "InChI=1S/C27H31Cl2NO3/c1-18(15-26(32)33)14-25(31)27-22-17-21(29)12-13-23(22)30(2)24(27)11-6-4-3-5-8-19-9-7-10-20(28)16-19/h7,9-10,12-13,16-18H,3-6,8,11,14-15H2,1-2H3,(H,32,33)/t18-/m0/s1" . "CNC1CN(C1)c1cc(N)nc(n1)CC(C)C" . "CNC1CN(C1)c1cc(N)nc(n1)CC(C)C" . "QRBVUFXEMHNIDB-UHFFFAOYSA-N" . "InChI=1S/C12H21N5/c1-8(2)4-11-15-10(13)5-12(16-11)17-6-9(7-17)14-3/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)" . "O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1cccc(c1)F" . "O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1cccc(c1)F" . "HCRBVFBQANEDDM-DSKINZAPSA-N" . "InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19+,21-/m0/s1" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)CC1CCCCC1" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)CC1CCCCC1" . "HPKJGHVHQWJOOT-ZJOUEHCJSA-N" . "InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1" . "Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl" . "Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl" . "ACGUYXCXAPNIKK-UHFFFAOYSA-N" . "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2" . "O=C(NC12CC3CC(C2)CC(C1)C3)Nc1ccc2c(c1)nc(c(n2)c1cccs1)c1cccs1" . "O=C(NC12CC3CC(C2)CC(C1)C3)Nc1ccc2c(c1)nc(c(n2)c1cccs1)c1cccs1" . "SCPZMCCNFFWXMO-UHFFFAOYSA-N" . "InChI=1S/C27H26N4OS2/c32-26(31-27-13-16-9-17(14-27)11-18(10-16)15-27)28-19-5-6-20-21(12-19)30-25(23-4-2-8-34-23)24(29-20)22-3-1-7-33-22/h1-8,12,16-18H,9-11,13-15H2,(H2,28,31,32)" . "COc1ccc(cc1)N1N=C(C(C1=O)C(=O)Nc1cccc(c1)C(F)(F)C)C" . "COc1ccc(cc1)N1N=C(C(C1=O)C(=O)Nc1cccc(c1)C(F)(F)C)C" . "FEYNFHSRETUBEM-UHFFFAOYSA-N" . "InChI=1S/C20H19F2N3O3/c1-12-17(18(26)23-14-6-4-5-13(11-14)20(2,21)22)19(27)25(24-12)15-7-9-16(28-3)10-8-15/h4-11,17H,1-3H3,(H,23,26)" . "CC[C@@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO" . "CC[C@@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO" . "HOCBJBNQIQQQGT-LJQANCHMSA-N" . "InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1" . "CC[C@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO" . "CC[C@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO" . "HOCBJBNQIQQQGT-IBGZPJMESA-N" . "InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1" . "CO/[N+](=C/C(=O)N/C=C/C(=O)N)/[O-]" . "CO/[N+](=C/C(=O)N/C=C/C(=O)N)/[O-]" . "WWUHEQGWFDDSQX-DSXPNFDZSA-N" . "InChI=1S/C6H9N3O4/c1-13-9(12)4-6(11)8-3-2-5(7)10/h2-4H,1H3,(H2,7,10)(H,8,11)/b3-2+,9-4+" . "C=C/C=C(/CCC1C/C=C/C=C(/C)/C(CCC/C=C/C=C/C=C/CC(C(=C)CC(=O)O1)C)OP(=O)(O)O)/C" . "C=C/C=C(/CCC1C/C=C/C=C(/C)/C(CCC/C=C/C=C/C=C/CC(C(=C)CC(=O)O1)C)OP(=O)(O)O)/C" . "ZUWUQYGHRURWCL-XUIVTPDHSA-N" . "InChI=1S/C31H45O6P/c1-6-17-25(2)22-23-29-20-16-15-19-27(4)30(37-38(33,34)35)21-14-12-10-8-7-9-11-13-18-26(3)28(5)24-31(32)36-29/h6-11,13,15-17,19,26,29-30H,1,5,12,14,18,20-24H2,2-4H3,(H2,33,34,35)/b9-7-,10-8-,13-11+,16-15+,25-17+,27-19+" . "CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1" . "CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1" . "AFTZZRFCMOAFCR-UHFFFAOYSA-N" . "InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29)" . "C[C@@H]1CCN(C[C@@H]1N(c1ncnc2c1cc[nH]2)C)C(=O)N1CCCC1" . "C[C@@H]1CCN(C[C@@H]1N(c1ncnc2c1cc[nH]2)C)C(=O)N1CCCC1" . "RONMOMUOZGIDET-HIFRSBDPSA-N" . "InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1" . "O=c1cc(occ1OCCCCCSc1ccnc2c1ccc(c2)C(F)(F)F)CN1CCOCC1" . "O=c1cc(occ1OCCCCCSc1ccnc2c1ccc(c2)C(F)(F)F)CN1CCOCC1" . "MIDUFIRTIFUTQA-UHFFFAOYSA-N" . "InChI=1S/C25H27F3N2O4S/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30/h4-7,14-15,17H,1-3,8-13,16H2" . "CO[C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@H]1[C@@H](C)/C=C/C(=O)O[C@H](C)[C@@H](CO[C@@H]2O[C@H](C)[C@H]([C@H]([C@H]2OC)OC)O)[C@H]2[C@H](/C=C/C(=O)[C@@](C[C@@H]1C)(C)O)O2" . "CO[C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@H]1[C@@H](C)/C=C/C(=O)O[C@H](C)[C@@H](CO[C@@H]2O[C@H](C)[C@H]([C@H]([C@H]2OC)OC)O)[C@H]2[C@H](/C=C/C(=O)[C@@](C[C@@H]1C)(C)O)O2" . "KLGADJPDTCIJLO-FCNIXBKESA-N" . "InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+,29-,30-,31+,32+,33-,34+,35-/m0/s1" . "CCN(CCCC(Nc1nc(Nc2ccc3c(c2)c(N)cc(n3)C)cc(n1)C)C)CC" . "CCN(CCCC(Nc1nc(Nc2ccc3c(c2)c(N)cc(n3)C)cc(n1)C)C)CC" . "DEFBCZWQLILOJF-UHFFFAOYSA-N" . "InChI=1S/C24H35N7/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30)" . "Oc1ccc(cc1)C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O)NC(=O)c1coc2c(c1=O)cc(c(c2)O)O" . "Oc1ccc(cc1)C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O)NC(=O)c1coc2c(c1=O)cc(c(c2)O)O" . "IZPIFKHYHHWRMA-UHFFFAOYSA-N" . "InChI=1S/C29H23N7O12S2/c37-13-3-1-11(2-4-13)20(30-24(43)15-8-48-18-6-17(39)16(38)5-14(18)23(15)42)25(44)31-21-26(45)36-22(28(46)47)12(9-49-27(21)36)10-50-29-32-33-34-35(29)7-19(40)41/h1-6,8,20-21,27,37-39H,7,9-10H2,(H,30,43)(H,31,44)(H,40,41)(H,46,47)" . "O=c1[nH]c(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)c1ccncc1" . "O=c1[nH]c(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)c1ccncc1" . "OPBGIIQHYNFABO-UHFFFAOYSA-N" . "InChI=1S/C19H14N4O4S/c24-18-16-11-15(5-6-17(16)21-19(25)22-18)28(26,27)23-14-3-1-12(2-4-14)13-7-9-20-10-8-13/h1-11,23H,(H2,21,22,24,25)" . "C[C@H]([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O" . "C[C@H]([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O" . "HGGAKXAHAYOLDJ-FHZUQPTBSA-N" . "InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1" . "O[C@H]1CCN(C1)c1nc(nc(c1)C(=O)NCC1CC1)N1CCC[C@H](C1)c1ccccc1" . "O[C@H]1CCN(C1)c1nc(nc(c1)C(=O)NCC1CC1)N1CCC[C@H](C1)c1ccccc1" . "GFHJYPQZBBHOCC-UXHICEINSA-N" . "InChI=1S/C24H31N5O2/c30-20-10-12-28(16-20)22-13-21(23(31)25-14-17-8-9-17)26-24(27-22)29-11-4-7-19(15-29)18-5-2-1-3-6-18/h1-3,5-6,13,17,19-20,30H,4,7-12,14-16H2,(H,25,31)/t19-,20+/m1/s1" . "CCc1cc(O)c(cc1F)Oc1ccc(cc1F)C(=O)N" . "CCc1cc(O)c(cc1F)Oc1ccc(cc1F)C(=O)N" . "QUHARGDBJJUOEB-UHFFFAOYSA-N" . "InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)" . "COC1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H](C3)[C@@H]([C@H]4O)C)/C(=C/C2[C@H](OC1=O)C(O)CO/C=C/C1=C(CCC(=O)OC2)C(=O)OC1=O)/C" . "COC1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H](C3)[C@@H]([C@H]4O)C)/C(=C/C2[C@H](OC1=O)C(O)CO/C=C/C1=C(CCC(=O)OC2)C(=O)OC1=O)/C" . "UGSGHHXIPUAOBJ-FUQUDWCDSA-N" . "InChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3/b9-8+,15-10+/t16-,17-,18?,19+,22?,23+,24?,26-,27+,28-,32-/m0/s1" . "Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O" . "Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O" . "IYRMWMYZSQPJKC-UHFFFAOYSA-N" . "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cn1nnc(n1)C)/c1csc(n1)N" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cn1nnc(n1)C)/c1csc(n1)N" . "XSPUSVIQHBDITA-RKYNPMAHSA-N" . "InChI=1S/C16H17N9O5S2/c1-6-20-23-24(21-6)3-7-4-31-14-10(13(27)25(14)11(7)15(28)29)19-12(26)9(22-30-2)8-5-32-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b22-9-/t10-,14-/m1/s1" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)[C@@H]([C@H]1CNCC1)O)O" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)[C@@H]([C@H]1CNCC1)O)O" . "QYOLGBCSUXWEKY-ANTKKXPTSA-N" . 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"InChI=1S/C14H14N8O5S2/c1-27-20-7(6-4-29-14(15)18-6)10(23)19-8-11(24)22-9(13(25)26)5(2-17-21-16)3-28-12(8)22/h4,8,12H,2-3H2,1H3,(H2,15,18)(H,19,23)(H,25,26)/b20-7+/t8-,12-/m1/s1" . "OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(/c1cnc(s1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cc(C)nc2n1nc(n2)C(=O)O" . "OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(/c1cnc(s1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cc(C)nc2n1nc(n2)C(=O)O" . "PBJHSJKHPMHQSC-XIMWIQTNSA-N" . "InChI=1S/C28H23N9O11S3/c1-9-4-15(37-28(31-9)33-20(34-37)26(46)47)49-7-11-8-50-23-17(22(41)36(23)18(11)24(42)43)32-21(40)16(14-6-30-27(29)51-14)35-48-19(25(44)45)10-2-3-12(38)13(39)5-10/h2-6,17,19,23,38-39H,7-8H2,1H3,(H2,29,30)(H,32,40)(H,42,43)(H,44,45)(H,46,47)/b35-16+/t17-,19+,23-/m1/s1" . "CN1CCN(CC1)C1=C2OCC3=NSC4=C(C(=O)CC(=C1F)C4C23)C(=O)O" . "CN1CCN(CC1)C1=C2OCC3=NSC4=C(C(=O)CC(=C1F)C4C23)C(=O)O" . "BVTDWOWPDCPIOM-UHFFFAOYSA-N" . "InChI=1S/C18H18FN3O4S/c1-21-2-4-22(5-3-21)15-14(19)8-6-10(23)13(18(24)25)17-11(8)12-9(20-27-17)7-26-16(12)15/h11-12H,2-7H2,1H3,(H,24,25)" . "CC[n+]1ccc(cc1)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/O[C@H](C(=O)O)C)/c1csc(n1)N" . "CC[n+]1ccc(cc1)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/O[C@H](C(=O)O)C)/c1csc(n1)N" . "HJXPKHCLLLRQDL-HFCXZPKYSA-O" . "InChI=1S/C23H24N6O7S3/c1-3-28-6-4-13(5-7-28)37-8-12-9-38-20-16(19(31)29(20)17(12)22(34)35)26-18(30)15(14-10-39-23(24)25-14)27-36-11(2)21(32)33/h4-7,10-11,16,20H,3,8-9H2,1-2H3,(H4-,24,25,26,30,32,33,34,35)/p+1/b27-15+/t11-,16+,20+/m0/s1" . "O/N=C(/c1ccc(cc1)OCC[C@H](C(=O)O)N)/C(=O)N[C@H]1CN(C1=O)[C@H](c1ccc(c(c1)Cl)O)C(=O)O" . "O/N=C(/c1ccc(cc1)OCC[C@H](C(=O)O)N)/C(=O)N[C@H]1CN(C1=O)[C@H](c1ccc(c(c1)Cl)O)C(=O)O" . "UMDAIHWMUXNVSB-IMUCLJOZSA-N" . "InChI=1S/C23H23ClN4O9/c24-14-9-12(3-6-17(14)29)19(23(34)35)28-10-16(21(28)31)26-20(30)18(27-36)11-1-4-13(5-2-11)37-8-7-15(25)22(32)33/h1-6,9,15-16,19,29,36H,7-8,10,25H2,(H,26,30)(H,32,33)(H,34,35)/b27-18+/t15-,16+,19-/m1/s1" . "CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N=c1ccc(cn1O)F)CN(C=O)O" . "CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N=c1ccc(cn1O)F)CN(C=O)O" . "AYCMYBACERJYNY-HIFRSBDPSA-N" . "InChI=1S/C18H25FN4O5/c1-2-3-5-13(10-21(27)12-24)18(26)22-9-4-6-15(22)17(25)20-16-8-7-14(19)11-23(16)28/h7-8,11-13,15,27-28H,2-6,9-10H2,1H3/t13-,15+/m1/s1" . "C[C@H]1C[C@@H](C)[C@@H]2[C@H](C1)C=CC([C@H]2/C(=C/1/C(=O)[C@@H](N(C1=O)C)C(C)C)/O)[C@]1(C)O[C@H]1C" . "C[C@H]1C[C@@H](C)[C@@H]2[C@H](C1)C=CC([C@H]2/C(=C/1/C(=O)[C@@H](N(C1=O)C)C(C)C)/O)[C@]1(C)O[C@H]1C" . "OBDFYDGODWWFEX-UDEGNFRISA-N" . "InChI=1S/C25H37NO4/c1-12(2)21-23(28)20(24(29)26(21)7)22(27)19-17(25(6)15(5)30-25)9-8-16-11-13(3)10-14(4)18(16)19/h8-9,12-19,21,27H,10-11H2,1-7H3/b22-20-/t13-,14+,15-,16-,17?,18+,19+,21-,25+/m0/s1" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](N(C[C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](N(C[C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "CVVWWIGGJJALDG-CFLXSVEWSA-N" . "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)20(2)19-40(13)21(3)17-36(8,45)33(52-35-29(41)26(39(11)12)16-22(4)48-35)23(5)30(24(6)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21+,22+,23-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36+,37+,38+/m0/s1" . "C/C/1=C/[C@@H](O)C(=O)/C=C/C=C/c2nc([C@H](NC(=O)C[C@@]3(CC1)S(=O)SC(=O)[C@]3(C)O)C)sc2" . "C/C/1=C/[C@@H](O)C(=O)/C=C/C=C/c2nc([C@H](NC(=O)C[C@@]3(CC1)S(=O)SC(=O)[C@]3(C)O)C)sc2" . "ZHTRILQJTPJGNK-FYBAATNNSA-N" . "InChI=1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1" . "COc1c(ccc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F)N1CC[C@H](C1)C1(N)CC1" . "COc1c(ccc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F)N1CC[C@H](C1)C1(N)CC1" . "ZLICIITZJTYKAQ-DIOULYMOSA-N" . "InChI=1S/C21H24FN3O4/c1-29-19-15(24-7-4-11(9-24)21(23)5-6-21)3-2-12-17(19)25(16-8-14(16)22)10-13(18(12)26)20(27)28/h2-3,10-11,14,16H,4-9,23H2,1H3,(H,27,28)/t11-,14+,16-/m1/s1" . "C[C@@H](/C=C(/[C@@H]1O[C@H]2C/C=C/CC/C=C/[C@H](O)[C@H](O)[C@H]3C[C@H](O)[C@H]([C@H](O3)C/C=C/[C@@H]3O[C@H]4[C@@H](/C=C/C=C/C=C/C(=O)O[C@H]1C=C2)O[C@H](C4)[C@H]3C)C)/C)CCCCC(=O)O" . "C[C@@H](/C=C(/[C@@H]1O[C@H]2C/C=C/CC/C=C/[C@H](O)[C@H](O)[C@H]3C[C@H](O)[C@H]([C@H](O3)C/C=C/[C@@H]3O[C@H]4[C@@H](/C=C/C=C/C=C/C(=O)O[C@H]1C=C2)O[C@H](C4)[C@H]3C)C)/C)CCCCC(=O)O" . "OTABDKFPJQZJRD-QLGZCQHWSA-N" . "InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+/t30-,32-,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,46+,47+/m1/s1" . "COc1c(N2C[C@H](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F" . "COc1c(N2C[C@H](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F" . "JYRHGXXQSIPDDP-IACUBPJLSA-N" . "InChI=1S/C20H21F2N3O4/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20/h4,6,11,13-14H,2-3,5,7-8,23H2,1H3,(H,27,28)/t11-,13+,14+/m0/s1" . "OC(=O)[C@@H]1N2C(=O)C[C@H]([C@H]2SC1(C)C)NC(=O)/C(=N/OC1CCCC1)/c1csc(n1)N" . "OC(=O)[C@@H]1N2C(=O)C[C@H]([C@H]2SC1(C)C)NC(=O)/C(=N/OC1CCCC1)/c1csc(n1)N" . "KNTUUEGDGYZCIA-ZUPSXRMKSA-N" . "InChI=1S/C19H25N5O5S2/c1-19(2)14(17(27)28)24-12(25)7-10(16(24)31-19)21-15(26)13(11-8-30-18(20)22-11)23-29-9-5-3-4-6-9/h8-10,14,16H,3-7H2,1-2H3,(H2,20,22)(H,21,26)(H,27,28)/b23-13+/t10-,14+,16-/m1/s1" . "C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "STZYTFJPGGDRJD-FJJJPKKESA-N" . "InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1" . "C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(cc2)CO)[C@]2(C)C(C)CC[C@]3([C@H]([C@@H]1O)C)C2C(=O)CC3" . "C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(cc2)CO)[C@]2(C)C(C)CC[C@]3([C@H]([C@@H]1O)C)C2C(=O)CC3" . "NOQBAJLIGCZEQP-CREOWZIVSA-N" . "InChI=1S/C29H40O5S/c1-6-27(4)15-23(34-24(32)17-35-21-9-7-20(16-30)8-10-21)28(5)18(2)11-13-29(19(3)26(27)33)14-12-22(31)25(28)29/h6-10,18-19,23,25-26,30,33H,1,11-17H2,2-5H3/t18?,19-,23+,25?,26-,27+,28-,29-/m0/s1" . "NCCSCc1cnccc1SC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(=NO)c1nc(sc1Cl)N" . "NCCSCc1cnccc1SC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(=NO)c1nc(sc1Cl)N" . "LTUWUNMGTLOPNC-UHFFFAOYSA-N" . "InChI=1S/C20H20ClN7O5S4/c21-15-11(26-20(23)37-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(7-35-18(13)28)36-9-1-3-24-5-8(9)6-34-4-2-22/h1,3,5,13,18,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32)" . "CC[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Oc1ccccc1" . "CC[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Oc1ccccc1" . "HOCWPKXKMNXINF-RSUWNVLCSA-N" . "InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11-,12+,13-,16+/m0/s1" . "OC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)N1CCN(N=C1)C" . "OC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)N1CCN(N=C1)C" . "QLUWQAFDTNAYPN-LLVKDONJSA-N" . "InChI=1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1" . "OCC(C1OC2N(C1=O)[C@H]1CC(O[C@H]([C@H]1OC(OC2C)CC(O)C)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C)C" . "OCC(C1OC2N(C1=O)[C@H]1CC(O[C@H]([C@H]1OC(OC2C)CC(O)C)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C)C" . "JVRLFIBJALHFAP-JLHPLHHJSA-N" . "InChI=1S/C39H47NO15/c1-15(14-41)35-37(48)40-22-11-26(51-17(3)36(22)54-25(10-16(2)42)52-18(4)38(40)55-35)53-24-13-39(49,19(5)43)12-21-28(24)34(47)30-29(32(21)45)31(44)20-8-7-9-23(50-6)27(20)33(30)46/h7-9,15-18,22,24-26,35-36,38,41-42,45,47,49H,10-14H2,1-6H3/t15?,16?,17-,18?,22-,24-,25?,26?,35?,36+,38?,39-/m0/s1" . "CCSC1=C(C(=O)O)N2[C@H](S1)C(C2=O)C(O)C" . "CCSC1=C(C(=O)O)N2[C@H](S1)C(C2=O)C(O)C" . "LDVDKTLZRGWFID-MPKXYMLHSA-N" . "InChI=1S/C10H13NO4S2/c1-3-16-10-6(9(14)15)11-7(13)5(4(2)12)8(11)17-10/h4-5,8,12H,3H2,1-2H3,(H,14,15)/t4?,5?,8-/m1/s1" . "C/C=C/C/C=C(/C(CC/C(=C/C=C(/C(=O)c1c(O)cc(oc1=O)C(CC/C=C/NC(=O)OC)C)/C)/C)O)/C" . "C/C=C/C/C=C(/C(CC/C(=C/C=C(/C(=O)c1c(O)cc(oc1=O)C(CC/C=C/NC(=O)OC)C)/C)/C)O)/C" . "FPBHSTHTCPCNBS-QXMYDWGFSA-N" . "InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32-33H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCC(CC4)N(C4(CC4)[C@@H]4CCN(C4)c4c(F)cn5c(c4C)c(cc(c5=O)C(=O)O)C4CC4)C)c(c(c2c(c3C)O)O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCC(CC4)N(C4(CC4)[C@@H]4CCN(C4)c4c(F)cn5c(c4C)c(cc(c5=O)C(=O)O)C4CC4)C)c(c(c2c(c3C)O)O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "OPZFMLLAJBIKAN-KYGXCNJYSA-N" . "InChI=1S/C65H81FN6O15/c1-31-13-12-14-32(2)61(80)68-50-44(56(77)47-48(57(50)78)55(76)37(7)59-49(47)60(79)64(9,87-59)85-26-20-46(84-11)33(3)58(86-38(8)73)36(6)54(75)35(5)53(31)74)28-67-71-24-18-41(19-25-71)69(10)65(21-22-65)40-17-23-70(29-40)52-34(4)51-42(39-15-16-39)27-43(63(82)83)62(81)72(51)30-45(52)66/h12-14,20,26-28,30-31,33,35-36,39-41,46,53-54,58,74-78H,15-19,21-25,29H2,1-11H3,(H,68,80)(H,82,83)/b13-12+,26-20+,32-14-,67-28+/t31-,33+,35+,36+,40+,46-,53-,54+,58+,64-/m0/s1" . "OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C/C)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O" . "OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C/C)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O" . "RFWGABANNQMHMZ-ZCHJGGQASA-N" . "InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1" . "CC[C@H]1Cn2nc(c3c2c(N1CC1CC1)cc(n3)C)c1ccc(cc1Cl)Cl" . "CC[C@H]1Cn2nc(c3c2c(N1CC1CC1)cc(n3)C)c1ccc(cc1Cl)Cl" . "SUCZRVASFXLXDM-HNNXBMFYSA-N" . "InChI=1S/C21H22Cl2N4/c1-3-15-11-27-21-18(26(15)10-13-4-5-13)8-12(2)24-20(21)19(25-27)16-7-6-14(22)9-17(16)23/h6-9,13,15H,3-5,10-11H2,1-2H3/t15-/m0/s1" . "COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1" . "COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1" . "FJZNNKJZHQFMCK-LRDDRELGSA-N" . "InChI=1S/C18H17F2N3O3/c1-26-11-7-13(19)15(14(20)8-11)12-9-21-17(24)16(12)23-18(25)22-10-5-3-2-4-6-10/h2-8,12,16H,9H2,1H3,(H,21,24)(H2,22,23,25)/t12-,16-/m0/s1" . "Clc1cc(c(cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)F)S(=O)(=O)Nc1ccncn1" . "Clc1cc(c(cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)F)S(=O)(=O)Nc1ccncn1" . "OJKONCJPCULNOW-DYVFJYSZSA-N" . "InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1" . "CC(=O)NC1CON(C1=O)C1(CCC(=O)O1)C(=O)O" . "CC(=O)NC1CON(C1=O)C1(CCC(=O)O1)C(=O)O" . "ZUEKKUYIXILDAF-UHFFFAOYSA-N" . "InChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)" . "CN=C1NC(=O)[C@@H](O1)[C@@H](c1c[nH]c2c1cccc2)C" . "CN=C1NC(=O)[C@@H](O1)[C@@H](c1c[nH]c2c1cccc2)C" . "GNTVWGDQPXCYBV-PELKAZGASA-N" . "InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1" . "C/C(=C/[C@H]([C@H]1O[C@@]2(C)O[C@@H]([C@@H]1C)C=CC12OC1)C)/C=C/C(=C/1/C(=O)CNC1=O)/O" . "C/C(=C/[C@H]([C@H]1O[C@@]2(C)O[C@@H]([C@@H]1C)C=CC12OC1)C)/C=C/C(=C/1/C(=O)CNC1=O)/O" . "LTYHWFXVSQHTQH-BWPJEIAHSA-N" . "InChI=1S/C22H27NO6/c1-12(5-6-15(24)18-16(25)10-23-20(18)26)9-13(2)19-14(3)17-7-8-22(11-27-22)21(4,28-17)29-19/h5-9,13-14,17,19,24H,10-11H2,1-4H3,(H,23,26)/b6-5+,12-9+,18-15-/t13-,14+,17-,19-,21-,22?/m1/s1" . "CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN=CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C" . "CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN=CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C" . "VFBPKQSATYZKRX-WKEGKRRDSA-N" . "InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10-,12-,13-,14-,15+,16+,17+,18+/m0/s1" . "CCCCCCCCCCCC1OC(=O)[C@@H](NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@H](N(C(=O)C1)C(=O)CC(CCCCCCCCCCC(C)C)O)[C@H](O)C)C)CC[C@@H]2O)CCCN=C(N)N)[C@H](C(=O)O)O)[C@@H](C(=O)O)O" . "CCCCCCCCCCCC1OC(=O)[C@@H](NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@H](N(C(=O)C1)C(=O)CC(CCCCCCCCCCC(C)C)O)[C@H](O)C)C)CC[C@@H]2O)CCCN=C(N)N)[C@H](C(=O)O)O)[C@@H](C(=O)O)O" . "RRAOZJHXDSMGMH-LOKPQUDHSA-N" . "InChI=1S/C64H109N11O22/c1-6-7-8-9-10-11-16-19-22-26-40-34-46(82)75(45(81)33-39(78)25-21-18-15-13-12-14-17-20-24-36(2)3)49(38(5)77)56(87)68-37(4)59(90)73-31-28-43(79)50(73)57(88)69-41(27-23-30-67-64(65)66)54(85)71-47(52(83)61(92)93)55(86)70-42(35-76)60(91)74-32-29-44(80)51(74)58(89)72-48(63(96)97-40)53(84)62(94)95/h36-44,47-53,76-80,83-84H,6-35H2,1-5H3,(H,68,87)(H,69,88)(H,70,86)(H,71,85)(H,72,89)(H,92,93)(H,94,95)(H4,65,66,67)/t37-,38-,39?,40?,41+,42-,43+,44+,47-,48+,49-,50+,51+,52-,53+/m1/s1" . "CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C/[C@H]([C@H](OC1=O)[C@H](O)C)C)/C" . "CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C/[C@H]([C@H](OC1=O)[C@H](O)C)C)/C" . "LUCYVUUQBYQHOV-GFCOOTNGSA-N" . "InChI=1S/C23H34O7/c1-10-8-11(2)23-14(9-16(28-5)22(27)29-20(10)13(4)24)6-7-15-17(23)18(25)12(3)19(26)21(15)30-23/h6-8,10,12-21,24-26H,9H2,1-5H3/b11-8-/t10-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21-,23+/m1/s1" . "CCN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)C(N)C" . "CCN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)C(N)C" . "QVRLHIRFLRXFIW-OFMFRWEUSA-N" . "InChI=1S/C22H43N5O7/c1-5-27-13-8-12(25)17(33-20-11(24)6-7-14(32-20)10(2)23)15(28)18(13)34-21-16(29)19(26-4)22(3,30)9-31-21/h7,10-13,15-21,26-30H,5-6,8-9,23-25H2,1-4H3/t10?,11-,12+,13-,15+,16-,17-,18+,19-,20-,21-,22+/m1/s1" . "FC(Oc1c(N2CC3C(C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)F" . "FC(Oc1c(N2CC3C(C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)F" . "KNLARSZRTBDTIA-UHFFFAOYSA-N" . "InChI=1S/C21H22F3N3O4/c22-14-6-12-16(27(11-3-4-11)8-13(18(12)28)20(29)30)19(31-21(23)24)17(14)26-7-10-2-1-5-25-15(10)9-26/h6,8,10-11,15,21,25H,1-5,7,9H2,(H,29,30)" . "CO[C@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)N)[C@H](O[C@@H]1N1C(=O)/C(=C(/C2[C@@H](C)C=C[C@@H]3[C@@H]2C(=C)CC[C@H]3O[C@@H]2O[C@H](C)[C@H]([C@](C2)(O)[C@@H](NC(=O)c2[nH]cc(c2Cl)Cl)C)O)/O)/C(=O)[C@@H]1C(C)C)C" . "CO[C@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)N)[C@H](O[C@@H]1N1C(=O)/C(=C(/C2[C@@H](C)C=C[C@@H]3[C@@H]2C(=C)CC[C@H]3O[C@@H]2O[C@H](C)[C@H]([C@](C2)(O)[C@@H](NC(=O)c2[nH]cc(c2Cl)Cl)C)O)/O)/C(=O)[C@@H]1C(C)C)C" . "ZPMXCTSMZFCELU-DEIVJSAASA-N" . "InChI=1S/C43H58Cl2N4O14/c1-16(2)32-34(52)29(40(55)49(32)41-37(58-9)36(61-22(8)50)35(19(5)60-41)63-42(46)56)33(51)28-18(4)10-12-23-25(13-11-17(3)27(23)28)62-26-14-43(57,38(53)20(6)59-26)21(7)48-39(54)31-30(45)24(44)15-47-31/h10,12,15-16,18-21,23,25-28,32,35-38,41,47,51,53,57H,3,11,13-14H2,1-2,4-9H3,(H2,46,56)(H,48,54)/b33-29-/t18-,19+,20+,21-,23-,25+,26-,27-,28?,32-,35-,36-,37-,38+,41-,43+/m0/s1" . "O=CC1=CC(O)C(C(C1OC(=O)C(C)C)O)O" . "O=CC1=CC(O)C(C(C1OC(=O)C(C)C)O)O" . "TWOYHFIJNHPEEO-UHFFFAOYSA-N" . "InChI=1S/C11H16O6/c1-5(2)11(16)17-10-6(4-12)3-7(13)8(14)9(10)15/h3-5,7-10,13-15H,1-2H3" . "CC[C@H]([C@@H]1NC(=O)[C@@H]2CS[C@@H](C)[C@@H](NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@H](CS[C@H]4C)N)Cc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N3)C(C)C)C(=O)N[C@H](C(=O)NC([C@@H](S/C=C/NC1=O)C)C(=O)NC(=C)C(=O)N[C@H](C(=O)N2)CCC(=O)O)CC(C)C)C" . "CC[C@H]([C@@H]1NC(=O)[C@@H]2CS[C@@H](C)[C@@H](NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@H](CS[C@H]4C)N)Cc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N3)C(C)C)C(=O)N[C@H](C(=O)NC([C@@H](S/C=C/NC1=O)C)C(=O)NC(=C)C(=O)N[C@H](C(=O)N2)CCC(=O)O)CC(C)C)C" . "JSWKNDSDVHJUKY-CYGWNLPQSA-N" . "InChI=1S/C80H120N20O21S4/c1-14-40(8)61-74(115)82-24-26-122-42(10)62-76(117)87-41(9)66(107)88-48(22-23-59(105)106)68(109)92-52(71(112)95-61)35-124-44(12)64(78(119)89-49(27-37(2)3)69(110)97-62)99-72(113)53-36-125-45(13)65(98-70(111)50(29-46-19-16-15-17-20-46)90-77(118)63-43(11)123-34-47(81)67(108)96-63)79(120)91-51(28-38(4)5)80(121)100-25-18-21-54(100)73(114)86-32-57(103)84-30-55(101)83-31-56(102)85-33-58(104)94-60(39(6)7)75(116)93-53/h15-17,19-20,24,26,37-40,42-45,47-54,60-65H,9,14,18,21-23,25,27-36,81H2,1-8,10-13H3,(H,82,115)(H,83,101)(H,84,103)(H,85,102)(H,86,114)(H,87,117)(H,88,107)(H,89,119)(H,90,118)(H,91,120)(H,92,109)(H,93,116)(H,94,104)(H,95,112)(H,96,108)(H,97,110)(H,98,111)(H,99,113)(H,105,106)/b26-24+/t40-,42+,43+,44+,45+,47+,48+,49+,50+,51+,52+,53+,54+,60+,61+,62?,63-,64-,65-/m1/s1" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(F)cc(c(c3C(=C1C2=O)O)O)NC(=O)[C@@H]1CCCN1C)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(F)cc(c(c3C(=C1C2=O)O)O)NC(=O)[C@@H]1CCCN1C)O)O)C(=O)N)C" . "VIWUYPVRNWIKLS-HMFHYXQTSA-N" . "InChI=1S/C27H31FN4O8/c1-31(2)19-12-8-10-7-11-13(28)9-14(30-26(39)15-5-4-6-32(15)3)20(33)17(11)21(34)16(10)23(36)27(12,40)24(37)18(22(19)35)25(29)38/h9-10,12,15,19,33-34,37,40H,4-8H2,1-3H3,(H2,29,38)(H,30,39)/t10-,12-,15-,19-,27-/m0/s1" . "CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC(=CC[C@@H]1N)C(N)C)N" . "CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC(=CC[C@@H]1N)C(N)C)N" . "XUSXOPRDIDWMFO-URTZJOLISA-N" . "InChI=1S/C20H39N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h5,8-11,13-19,25-28H,4,6-7,21-24H2,1-3H3/t8?,9-,10-,11+,13-,14+,15+,16-,17+,18-,19+,20-/m0/s1" . "CSCCC(C(=O)NC(C(N(C(=O)C1NC(C)c2c(C1)cc(cc2)O)C)C)C(=O)N/C=C/1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O" . "CSCCC(C(=O)NC(C(N(C(=O)C1NC(C)c2c(C1)cc(cc2)O)C)C)C(=O)N/C=C/1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O" . "AZGANZVUWUCOGH-XHPQRKPJSA-N" . "InChI=1S/C40H52N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-9,14,16,19-21,28-31,33,37,42,49-51H,10-13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-" . "CSCCC(C(=O)NC(C(N(C(=O)C1NCc2c(C1)cc(cc2)O)C)C)C(=O)N/C=C/1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O" . "CSCCC(C(=O)NC(C(N(C(=O)C1NCc2c(C1)cc(cc2)O)C)C)C(=O)N/C=C/1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O" . "MFEPAAMYDYMBSN-XHPQRKPJSA-N" . "InChI=1S/C39H50N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-8,13,15,19-20,27-30,32,36,40,48-50H,9-12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCN(CC1)Cc1ccc(o1)[N+](=O)[O-]" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCN(CC1)Cc1ccc(o1)[N+](=O)[O-]" . "PWHNTOQANLCTHN-KRWDZBQOSA-N" . "InChI=1S/C21H24FN5O6/c1-14(28)23-11-17-13-26(21(29)33-17)15-2-4-19(18(22)10-15)25-8-6-24(7-9-25)12-16-3-5-20(32-16)27(30)31/h2-5,10,17H,6-9,11-13H2,1H3,(H,23,28)/t17-/m0/s1" . "Fc1ccc(cc1)N1CCN(CC1)c1cc2nc3n(C)cc(c(=O)c3cc2cc1F)C(=O)O" . "Fc1ccc(cc1)N1CCN(CC1)c1cc2nc3n(C)cc(c(=O)c3cc2cc1F)C(=O)O" . "YYHFVZLNDMSUBV-UHFFFAOYSA-N" . "InChI=1S/C24H20F2N4O3/c1-28-13-18(24(32)33)22(31)17-10-14-11-19(26)21(12-20(14)27-23(17)28)30-8-6-29(7-9-30)16-4-2-15(25)3-5-16/h2-5,10-13H,6-9H2,1H3,(H,32,33)" . "OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O" . "OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O" . "YQHZABGPIPECSQ-UHFFFAOYSA-N" . "InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2" . "O=C1[C@@H](NC(=O)/C(=N/OCc2cc(=O)c(cn2O)O)/c2csc(n2)N)C(N1OS(=O)(=O)O)(C)C" . "O=C1[C@@H](NC(=O)/C(=N/OCc2cc(=O)c(cn2O)O)/c2csc(n2)N)C(N1OS(=O)(=O)O)(C)C" . "KLFSEZJCLYBFKQ-WXYNYTDUSA-N" . "InChI=1S/C16H18N6O10S2/c1-16(2)12(14(26)22(16)32-34(28,29)30)19-13(25)11(8-6-33-15(17)18-8)20-31-5-7-3-9(23)10(24)4-21(7)27/h3-4,6,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)(H,28,29,30)/b20-11-/t12-/m1/s1" . "NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)Nc1ccccc1Cl)CCN" . "NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)Nc1ccccc1Cl)CCN" . "OINMSSZOBLWDTB-SHGLBBHXSA-N" . "InChI=1S/C54H86ClN17O13/c1-28(2)26-40-50(81)64-34(14-20-56)44(75)63-37(17-23-59)48(79)71-42(29(3)73)52(83)61-25-19-39(47(78)62-35(15-21-57)46(77)68-41(51(82)67-40)27-31-10-6-5-7-11-31)65-45(76)36(16-22-58)66-53(84)43(30(4)74)72-49(80)38(18-24-60)70-54(85)69-33-13-9-8-12-32(33)55/h5-13,28-30,34-43,73-74H,14-27,56-60H2,1-4H3,(H,61,83)(H,62,78)(H,63,75)(H,64,81)(H,65,76)(H,66,84)(H,67,82)(H,68,77)(H,71,79)(H,72,80)(H2,69,70,85)/t29-,30-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1" . "Clc1ccc(cc1)Cn1c(CN2CCCC2)nc2c1cccc2" . "Clc1ccc(cc1)Cn1c(CN2CCCC2)nc2c1cccc2" . "CJXAEXPPLWQRFR-UHFFFAOYSA-N" . "InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2" . "COc1cc(C)c(c(c1)O)C(=O)OC(C(C(=O)O)(O)C)CC1OC2(CC(C1C)O)CC(C(O2)(C)C1C[C@@H]([C@@](O1)(C)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@](C[C@@H]1C)(C)[C@H](CC)O)OC)C" . "COc1cc(C)c(c(c1)O)C(=O)OC(C(C(=O)O)(O)C)CC1OC2(CC(C1C)O)CC(C(O2)(C)C1C[C@@H]([C@@](O1)(C)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@](C[C@@H]1C)(C)[C@H](CC)O)OC)C" . "SGLQOFJJLQBZBE-MSFHLGAUSA-N" . "InChI=1S/C45H70O15/c1-13-32(48)41(7)19-24(4)37(59-41)31-15-23(3)38(55-31)44(10)34(54-12)18-35(58-44)43(9)25(5)20-45(60-43)21-29(47)26(6)30(57-45)17-33(42(8,52)40(50)51)56-39(49)36-22(2)14-27(53-11)16-28(36)46/h14,16,23-26,29-35,37-38,46-48,52H,13,15,17-21H2,1-12H3,(H,50,51)/t23-,24-,25?,26?,29?,30?,31+,32-,33?,34-,35?,37-,38+,41-,42?,43?,44-,45?/m0/s1" . "CC(Cc1ccccc1)N" . "CC(Cc1ccccc1)N" . "KWTSXDURSIMDCE-UHFFFAOYSA-N" . "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3" . "C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCCN(C2)C(=O)[C@@H](C(C)C)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCCN(C2)C(=O)[C@@H](C(C)C)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "AFYOQRIZFPJUAR-UBTCORFISA-N" . "InChI=1S/C32H52N2O5S/c1-8-30(6)16-24(31(7)20(4)11-13-32(21(5)28(30)37)14-12-23(35)27(31)32)39-25(36)18-40-22-10-9-15-34(17-22)29(38)26(33)19(2)3/h8,19-22,24,26-28,37H,1,9-18,33H2,2-7H3/t20-,21+,22?,24-,26-,27+,28+,30-,31+,32+/m1/s1" . "O=C(c1ccc(cc1)/C=C/c1cnc2c(c1)cccc2)Nc1cc(n(c1)C)C(=O)Nc1cc(n(c1)C)C(=O)NCCN1CCOCC1" . "O=C(c1ccc(cc1)/C=C/c1cnc2c(c1)cccc2)Nc1cc(n(c1)C)C(=O)Nc1cc(n(c1)C)C(=O)NCCN1CCOCC1" . "OEKXCVYZBVOWBR-BQYQJAHWSA-N" . "InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+" . "O=C1/C(=C/c2cn3c(n2)COCC3)/[C@@H]2N1C(=CS2)C(=O)O" . "O=C1/C(=C/c2cn3c(n2)COCC3)/[C@@H]2N1C(=CS2)C(=O)O" . "DMEYZPJEFHGESJ-CPWLGJMPSA-N" . "InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/b8-3-/t12-/m1/s1" . "COC1CCC(OC1C)OC1(C)C(OC(C(C1O)C)(O)C(C(=O)O)C)C(C1CC(OC)C(C2(O1)CCC(O2)(C)C1CCC(O1)(C)C1CCC(O1)C1OC(C)(O)C(C(C1C)OC)C)C)C" . "COC1CCC(OC1C)OC1(C)C(OC(C(C1O)C)(O)C(C(=O)O)C)C(C1CC(OC)C(C2(O1)CCC(O2)(C)C1CCC(O1)(C)C1CCC(O1)C1OC(C)(O)C(C(C1C)OC)C)C)C" . "DIKYHBWGIUNGIW-UHFFFAOYSA-N" . "InChI=1S/C48H82O16/c1-24(41-45(10,61-37-18-16-31(54-12)30(7)57-37)40(49)28(5)48(53,63-41)29(6)42(50)51)33-23-34(55-13)26(3)47(59-33)22-21-44(9,64-47)36-19-20-43(8,60-36)35-17-15-32(58-35)39-25(2)38(56-14)27(4)46(11,52)62-39/h24-41,49,52-53H,15-23H2,1-14H3,(H,50,51)" . "O=C1/C(=C/c2c[nH]nn2)/[C@@H]2N1C(=CS2)C(=O)O" . "O=C1/C(=C/c2c[nH]nn2)/[C@@H]2N1C(=CS2)C(=O)O" . "WFUNKYVUHIZWEW-VRFQNRHZSA-N" . "InChI=1S/C9H6N4O3S/c14-7-5(1-4-2-10-12-11-4)8-13(7)6(3-17-8)9(15)16/h1-3,8H,(H,15,16)(H,10,11,12)/b5-1+/t8-/m1/s1" . "Oc1c(O)oc2c1cccc2" . "Oc1c(O)oc2c1cccc2" . "DNDWXJDUTDZBNV-UHFFFAOYSA-N" . "InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,9-10H" . "Brc1cc(Br)c2c(c1)[C@H](NCCCNc1cc(=O)c3c([nH]1)ccs3)CCO2" . "Brc1cc(Br)c2c(c1)[C@H](NCCCNc1cc(=O)c3c([nH]1)ccs3)CCO2" . "NNTYBKTXMKBRFA-CQSZACIVSA-N" . "InChI=1S/C19H19Br2N3O2S/c20-11-8-12-14(2-6-26-18(12)13(21)9-11)22-4-1-5-23-17-10-16(25)19-15(24-17)3-7-27-19/h3,7-10,14,22H,1-2,4-6H2,(H2,23,24,25)/t14-/m1/s1" . "CC(c1nccs1)(C#Cc1ccc(c(c1)Nc1ncnc2c1cc[nH]2)N1CCOCC1)O" . "CC(c1nccs1)(C#Cc1ccc(c(c1)Nc1ncnc2c1cc[nH]2)N1CCOCC1)O" . "KJMURTHIPWRIMC-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O2S/c1-23(30,22-25-8-13-32-22)6-4-16-2-3-19(29-9-11-31-12-10-29)18(14-16)28-21-17-5-7-24-20(17)26-15-27-21/h2-3,5,7-8,13-15,30H,9-12H2,1H3,(H2,24,26,27,28)" . "CO/C(=C/1/NC(=O)[C@@H](NC(=O)c2csc(n2)c2cc(O)c(nc2c2csc(n2)[C@H]2NC(=O)c3nc([C@@H](NC(=O)c4nc1sc4)[C@@H]1OCc4c(C(=O)OC2)n(c2c4c(COC(=O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H]4[C@@](C1)(C)OC(N4C)C)ccc2)O)sc3)c1scc(n1)C(=O)NC(=C)C(=O)N)[C@H](O)C)/C" . "CO/C(=C/1/NC(=O)[C@@H](NC(=O)c2csc(n2)c2cc(O)c(nc2c2csc(n2)[C@H]2NC(=O)c3nc([C@@H](NC(=O)c4nc1sc4)[C@@H]1OCc4c(C(=O)OC2)n(c2c4c(COC(=O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H]4[C@@](C1)(C)OC(N4C)C)ccc2)O)sc3)c1scc(n1)C(=O)NC(=C)C(=O)N)[C@H](O)C)/C" . "LPGAAUZJQIRAAG-CAYKKMKNSA-N" . "InChI=1S/C62H60N14O18S5/c1-22(49(63)79)64-50(80)32-19-98-58(69-32)43-37(78)12-28-42(71-43)31-17-96-56(66-31)30-16-91-60(85)45-29-15-89-46(47(61(86)90-14-27-10-9-11-36(39(27)29)76(45)87)93-38-13-62(6)48(25(4)92-38)75(7)26(5)94-62)44(59-70-33(20-99-59)51(81)65-30)74-53(83)35-21-97-57(68-35)41(24(3)88-8)73-54(84)40(23(2)77)72-52(82)34-18-95-55(28)67-34/h9-12,17-21,23,25-26,30,38,40,44,46-48,77-78,87H,1,13-16H2,2-8H3,(H2,63,79)(H,64,80)(H,65,81)(H,72,82)(H,73,84)(H,74,83)/b41-24+/t23-,25+,26?,30+,38+,40+,44+,46+,47+,48-,62+/m1/s1" . "NCCCCN1C(=O)NC(C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(=O)NC(CCCNC(=O)N)C(=O)NC(CC2CNC(=N2)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)NC(C1=O)c1ccc(cc1)O)NC(=O)C(NC(=O)/C=C/C=C/CCCCC(CC)C)CC(=O)O)C)c1ccc(cc1)O)C)CC1CNC(=N1)N)c1cc(Cl)c(c(c1)Cl)O)CO)c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O" . "NCCCCN1C(=O)NC(C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(=O)NC(CCCNC(=O)N)C(=O)NC(CC2CNC(=N2)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)NC(C1=O)c1ccc(cc1)O)NC(=O)C(NC(=O)/C=C/C=C/CCCCC(CC)C)CC(=O)O)C)c1ccc(cc1)O)C)CC1CNC(=N1)N)c1cc(Cl)c(c(c1)Cl)O)CO)c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O" . "QKXQEKZXVMLAMO-JDCCHMEXSA-N" . "InChI=1S/C107H138Cl2N26O31/c1-7-51(2)17-12-10-8-9-11-13-19-76(144)120-74(47-77(145)146)92(152)126-80-55(6)166-102(162)86(60-28-38-68(143)39-29-60)132-88(148)52(3)117-90(150)73(46-63-49-116-104(112)119-63)124-106(164)134-100(160)84(61-43-69(108)87(147)70(109)44-61)128-93(153)75(50-136)123-97(157)81(56-20-30-64(139)31-21-56)127-91(151)72(45-62-48-115-103(111)118-62)122-89(149)71(18-16-41-114-105(113)163)121-94(154)78(53(4)137)125-98(158)82(57-22-32-65(140)33-23-57)130-99(159)83(58-24-34-66(141)35-25-58)129-95(155)79(54(5)138)133-107(165)135(42-15-14-40-110)101(161)85(131-96(80)156)59-26-36-67(142)37-27-59/h9,11,13,19-39,43-44,51-55,62-63,71-75,78-86,136-143,147H,7-8,10,12,14-18,40-42,45-50,110H2,1-6H3,(H,117,150)(H,120,144)(H,121,154)(H,122,149)(H,123,157)(H,125,158)(H,126,152)(H,127,151)(H,128,153)(H,129,155)(H,130,159)(H,131,156)(H,132,148)(H,133,165)(H,145,146)(H3,111,115,118)(H3,112,116,119)(H3,113,114,163)(H2,124,134,160,164)/b11-9+,19-13+" . "CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2c(c1)cccc2" . "CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2c(c1)cccc2" . "VQVCFYIDCWPSNE-UHFFFAOYSA-N" . "InChI=1S/C20H18N2O2/c1-21-20(24)17-7-4-8-18(13-17)22-19(23)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)" . "OCC(C(=O)N1CC[C@H]([C@H]1C(=O)N[C@H]1COC(=O)c2c(C)c(O)cc(c2CSC[C@H](NC1=O)C(=O)N[C@H](C(=O)O)C)O)O)N" . "OCC(C(=O)N1CC[C@H]([C@H]1C(=O)N[C@H]1COC(=O)c2c(C)c(O)cc(c2CSC[C@H](NC1=O)C(=O)N[C@H](C(=O)O)C)O)O)N" . "HMHQWJDFNVJCHA-ZPGBQQFCSA-N" . "InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1" . "CCCOc1ccc(cc1NCc1cnc2c(c1C)c(N)nc(n2)N)OCC" . "CCCOc1ccc(cc1NCc1cnc2c(c1C)c(N)nc(n2)N)OCC" . "SZAZJRVSIHGLCG-UHFFFAOYSA-N" . "InChI=1S/C20H26N6O2/c1-4-8-28-16-7-6-14(27-5-2)9-15(16)23-10-13-11-24-19-17(12(13)3)18(21)25-20(22)26-19/h6-7,9,11,23H,4-5,8,10H2,1-3H3,(H4,21,22,24,25,26)" . "CCOc1ccc(c(c1)NCc1cnc2c(c1C)c(N)nc(n2)N)OC" . "CCOc1ccc(c(c1)NCc1cnc2c(c1C)c(N)nc(n2)N)OC" . "CRZVJULBIPRHRY-UHFFFAOYSA-N" . "InChI=1S/C18H22N6O2/c1-4-26-12-5-6-14(25-3)13(7-12)21-8-11-9-22-17-15(10(11)2)16(19)23-18(20)24-17/h5-7,9,21H,4,8H2,1-3H3,(H4,19,20,22,23,24)" . "CO[C@H]1CN(CC[C@H]1NC(=O)c1nc(c([nH]1)CC)Cl)c1nnc(s1)C(O)(C)C" . "CO[C@H]1CN(CC[C@H]1NC(=O)c1nc(c([nH]1)CC)Cl)c1nnc(s1)C(O)(C)C" . "RFKLYBAHWNXIDR-MNOVXSKESA-N" . "InChI=1S/C17H25ClN6O3S/c1-5-9-12(18)21-13(19-9)14(25)20-10-6-7-24(8-11(10)27-4)16-23-22-15(28-16)17(2,3)26/h10-11,26H,5-8H2,1-4H3,(H,19,21)(H,20,25)/t10-,11+/m1/s1" . "Nc1cccc(c1C)Cn1ccc(cc1=O)OCCc1cccs1" . "Nc1cccc(c1C)Cn1ccc(cc1=O)OCCc1cccs1" . "YCLREGRRHGLOAK-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3" . "O=C(c1ncccc1O)OB(c1ccc(c(c1)Cl)C)c1ccc(c(c1)Cl)C" . "O=C(c1ncccc1O)OB(c1ccc(c(c1)Cl)C)c1ccc(c(c1)Cl)C" . "ZTLSOLUCMQEGEA-UHFFFAOYSA-N" . "InChI=1S/C20H16BCl2NO3/c1-12-5-7-14(10-16(12)22)21(15-8-6-13(2)17(23)11-15)27-20(26)19-18(25)4-3-9-24-19/h3-11,25H,1-2H3" . "COc1c(N2C[C](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F" . "COc1c(N2C[C](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F" . "CWRHFWJFDKNNCM-WCQYABFASA-N" . "InChI=1S/C20H20F2N3O4/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20/h4,6,11,13H,2-3,5,7-8,23H2,1H3,(H,27,28)/t11-,13+/m0/s1" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2SCCn1cnc2c1nccc2)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2SCCn1cnc2c1nccc2)C)C)(C)OC" . "HTEVRIKKCSOLOA-AKGQNOEZSA-N" . "InChI=1S/C48H76N4O13S/c1-15-33-48(10)35(39(44(57)65-48)66-20-19-52-24-50-31-17-16-18-49-42(31)52)27(4)36(53)25(2)22-47(9,59-14)41(64-45-37(54)32(51(11)12)21-26(3)60-45)28(5)38(29(6)43(56)62-33)63-34-23-46(8,58-13)40(55)30(7)61-34/h16-18,24-30,32-35,37-41,45,54-55H,15,19-23H2,1-14H3/t25-,26-,27-,28+,29-,30+,32+,33-,34+,35+,37-,38+,39+,40+,41-,45+,46-,47-,48-/m1/s1" . "C=CCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC)O)C" . "C=CCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC)O)C" . "ZZRQNCPNJLVUMK-UZSBJOJWSA-N" . "InChI=1S/C40H74N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h15,22-35,37,43-45,47-48H,1,16-21H2,2-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1" . "CNC(C(=O)NC(C(NC(C(=O)O)Cc1cnc[nH]1)C)C(=O)O)Cc1cnc[nH]1" . "CNC(C(=O)NC(C(NC(C(=O)O)Cc1cnc[nH]1)C)C(=O)O)Cc1cnc[nH]1" . "LUOBEJSTJAVJPL-UHFFFAOYSA-N" . "InChI=1S/C17H25N7O5/c1-9(23-13(16(26)27)4-11-6-20-8-22-11)14(17(28)29)24-15(25)12(18-2)3-10-5-19-7-21-10/h5-9,12-14,18,23H,3-4H2,1-2H3,(H,19,21)(H,20,22)(H,24,25)(H,26,27)(H,28,29)" . "O[C@H]1C[C@@H]2CC(=O)/C(=C/[C@H]3[C@@H](C1)C=C[C@H]1[C@@H]3C[C@H](C1=O)C)/C(=O)O2" . "O[C@H]1C[C@@H]2CC(=O)/C(=C/[C@H]3[C@@H](C1)C=C[C@H]1[C@@H]3C[C@H](C1=O)C)/C(=O)O2" . "BYUKEFZLYIFNCB-MDRYBKLPSA-N" . "InChI=1S/C19H22O5/c1-9-4-15-13(18(9)22)3-2-10-5-11(20)6-12-7-17(21)16(8-14(10)15)19(23)24-12/h2-3,8-15,20H,4-7H2,1H3/b16-8+/t9-,10-,11-,12-,13+,14+,15+/m1/s1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1cc(F)c(c(c1)F)N1CCS(=O)(=O)CC1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1cc(F)c(c(c1)F)N1CCS(=O)(=O)CC1" . "HSGZLFWXBIVLBD-LBPRGKRZSA-N" . "InChI=1S/C16H19F2N3O5S/c1-10(22)19-8-12-9-21(16(23)26-12)11-6-13(17)15(14(18)7-11)20-2-4-27(24,25)5-3-20/h6-7,12H,2-5,8-9H2,1H3,(H,19,22)/t12-/m0/s1" . "CCC1(CCCCN(C1)C)c1cccc(c1)O" . "CCC1(CCCCN(C1)C)c1cccc(c1)O" . "JLICHNCFTLFZJN-UHFFFAOYSA-N" . "InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3" . "Nc1nc(N)c2c(n1)ccc1c2ccn1Cc1ccc(cc1)c1ccccc1" . "Nc1nc(N)c2c(n1)ccc1c2ccn1Cc1ccc(cc1)c1ccccc1" . "CKQXMSDRDDHCOR-UHFFFAOYSA-N" . "InChI=1S/C23H19N5/c24-22-21-18-12-13-28(20(18)11-10-19(21)26-23(25)27-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,24,25,26,27)" . "CC[C@@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1[C@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)C[C@H]1CN=C(N1)N)[C@H](CC)C)CO)[C@H](CC)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](Cc1ccccc1)NC)CO)CCC(=O)N)C" . "CC[C@@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1[C@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)C[C@H]1CN=C(N1)N)[C@H](CC)C)CO)[C@H](CC)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](Cc1ccccc1)NC)CO)CCC(=O)N)C" . "LMBFAGIMSUYTBN-MPZNNTNKSA-N" . "InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1" . "CC(c1ccc(cc1)Cn1ccc2c1ccc1c2c(N)nc(n1)NC1CC1)C" . "CC(c1ccc(cc1)Cn1ccc2c1ccc1c2c(N)nc(n1)NC1CC1)C" . "AVXQPEKZIGPIJW-UHFFFAOYSA-N" . "InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)" . "OCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(OC1=O)c1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)C(C(C)C)O)CC(C)C)CCCN=C(N)N)C(CC)C)C(O)C)C(C(=O)N)O" . "OCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(OC1=O)c1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)C(C(C)C)O)CC(C)C)CCCN=C(N)N)C(CC)C)C(O)C)C(C(=O)N)O" . "KQMKBWMQSNKASI-UHFFFAOYSA-N" . "InChI=1S/C58H97N15O17/c1-12-30(10)39-53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(73-51(83)36(23-28(6)7)66-48(80)33(59)21-26(2)3)56(88)72-41(44(77)29(8)9)54(86)67-35(22-27(4)5)50(82)65-34(49(81)70-39)19-16-20-63-58(61)62/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)" . "NCCC[C@@H](CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]1[C@@H](N)[C@H](O)[C@H]([C@H]([C@H]1O)NC)OC)CN)N" . "NCCC[C@@H](CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]1[C@@H](N)[C@H](O)[C@H]([C@H]([C@H]1O)NC)OC)CN)N" . "WTENXKAJCSHCNH-QJSCRMMJSA-N" . "InChI=1S/C20H40N6O6/c1-25-15-17(29)18(14(24)16(28)19(15)30-2)32-20-12(6-5-11(9-22)31-20)26-13(27)8-10(23)4-3-7-21/h5,10,12,14-20,25,28-29H,3-4,6-9,21-24H2,1-2H3,(H,26,27)/t10-,12+,14-,15-,16-,17+,18+,19-,20+/m0/s1" . "OCC1OC(Oc2c3Oc4ccc(cc4)C(OC4CC(C)(N)C(C(O4)C)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)C(O)C(C(=O)NC(C(=O)N5)CC(=O)N)NC(=O)C(CC(C)C)NC)c2ccc(c(c2)c2c(C(NC4=O)C(=O)O)cc(cc2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O" . "OCC1OC(Oc2c3Oc4ccc(cc4)C(OC4CC(C)(N)C(C(O4)C)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)C(O)C(C(=O)NC(C(=O)N5)CC(=O)N)NC(=O)C(CC(C)C)NC)c2ccc(c(c2)c2c(C(NC4=O)C(=O)O)cc(cc2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O" . "SJSZMXQSCZCGFO-UHFFFAOYSA-N" . "InChI=1S/C72H86ClN9O28/c1-25(2)15-37(76-6)63(95)81-51-54(89)30-10-14-41(36(73)17-30)106-43-19-31-18-42(60(43)109-71-61(57(92)55(90)44(24-83)107-71)110-70-58(93)56(91)53(88)26(3)104-70)105-33-11-7-28(8-12-33)59(108-46-23-72(5,75)62(94)27(4)103-46)52-68(100)80-50(69(101)102)35-20-32(84)21-40(86)47(35)34-16-29(9-13-39(34)85)48(65(97)82-52)79-66(98)49(31)78-64(96)38(22-45(74)87)77-67(51)99/h7-14,16-21,25-27,37-38,44,46,48-59,61-62,70-71,76,83-86,88-94H,15,22-24,75H2,1-6H3,(H2,74,87)(H,77,99)(H,78,96)(H,79,98)(H,80,100)(H,81,95)(H,82,97)(H,101,102)" . "CC[C@@H](C(=O)C(=O)N[C@@H](C(=O)N(C(=O)[C@H](C(CC(=O)[C@H](C(C)C)N)C)N)[C@H](C(=O)O)C(C)C)CC(C)C)N" . "CC[C@@H](C(=O)C(=O)N[C@@H](C(=O)N(C(=O)[C@H](C(CC(=O)[C@H](C(C)C)N)C)N)[C@H](C(=O)O)C(C)C)CC(C)C)N" . "UNPBSZUDTFBULK-CZCKBYKRSA-N" . "InChI=1S/C26H47N5O7/c1-9-16(27)22(33)23(34)30-17(10-12(2)3)24(35)31(21(14(6)7)26(37)38)25(36)20(29)15(8)11-18(32)19(28)13(4)5/h12-17,19-21H,9-11,27-29H2,1-8H3,(H,30,34)(H,37,38)/t15?,16-,17+,19-,20-,21-/m0/s1" . "O=CN(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)c1cc(O)cc(c1)NC1(C)NC(=O)C(C(C1(O)CO)N)C(=N)OC)[O-])[O-])[O-].[Fe+3]" . "O=CN(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)c1cc(O)cc(c1)NC1(C)NC(=O)C(C(C1(O)CO)N)C(=N)OC)[O-])[O-])[O-].[Fe+3]" . "GYDPFTRJZUGPNF-UHFFFAOYSA-N" . "InChI=1S/C40H63N10O14.Fe/c1-39(40(60,25-51)35(41)34(36(42)64-2)38(59)47-39)46-28-22-27(23-29(53)24-28)37(58)45-18-8-5-11-21-50(63)33(57)15-13-31(55)44-17-7-4-10-20-49(62)32(56)14-12-30(54)43-16-6-3-9-19-48(61)26-52;/h22-24,26,34-35,42,46,51,53,60H,3-21,25,41H2,1-2H3,(H,43,54)(H,44,55)(H,45,58)(H,47,59);/q-3;+3" . "OC(=O)C(C1CC(C2N1C2)N=C(N)N)NC(=O)C(C(C)C)N" . "OC(=O)C(C1CC(C2N1C2)N=C(N)N)NC(=O)C(C(C)C)N" . "DGIHWRUPUISVIZ-UHFFFAOYSA-N" . "InChI=1S/C13H24N6O3/c1-5(2)9(14)11(20)18-10(12(21)22)7-3-6(17-13(15)16)8-4-19(7)8/h5-10H,3-4,14H2,1-2H3,(H,18,20)(H,21,22)(H4,15,16,17)" . "COC1CC(OC(C1O)C)OC1C(C)OC(CC1(C)N(C)C)c1ccc2c(c1O)C(=O)c1c(C2=O)cc(c2c1oc(cc2=O)C1(C)OC1C)C(C1OC(C)C(C(C1O)OC)O)(C(=O)OC)O" . "COC1CC(OC(C1O)C)OC1C(C)OC(CC1(C)N(C)C)c1ccc2c(c1O)C(=O)c1c(C2=O)cc(c2c1oc(cc2=O)C1(C)OC1C)C(C1OC(C)C(C(C1O)OC)O)(C(=O)OC)O" . "FAGGWQMBDCZCOI-UHFFFAOYSA-N" . "InChI=1S/C47H59NO18/c1-18-34(50)27(58-9)16-30(62-18)65-42-20(3)61-28(17-45(42,5)48(7)8)22-12-13-23-31(37(22)53)38(54)32-24(36(23)52)14-25(33-26(49)15-29(64-40(32)33)46(6)21(4)66-46)47(57,44(56)60-11)43-39(55)41(59-10)35(51)19(2)63-43/h12-15,18-21,27-28,30,34-35,39,41-43,50-51,53,55,57H,16-17H2,1-11H3" . "NCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "NCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "RXCNILVLOHRALM-UWBRJAPDSA-N" . "InChI=1S/C9H12N2O4S/c1-3(12)5-7(13)11-6(9(14)15)4(2-10)16-8(5)11/h3,5,8,12H,2,10H2,1H3,(H,14,15)/t3-,5+,8-/m1/s1" . "Clc1c(Cl)cc(c(c1Cl)n1ccc(c1Cl)Cl)O" . "Clc1c(Cl)cc(c(c1Cl)n1ccc(c1Cl)Cl)O" . "VQUHAXJBUPCVDX-UHFFFAOYSA-N" . "InChI=1S/C10H4Cl5NO/c11-4-1-2-16(10(4)15)9-6(17)3-5(12)7(13)8(9)14/h1-3,17H" . "CN[C@@H]1[C@H]2O[C@]3(O)[C@H](O[C@@H]2[C@H]([C@@H]([C@@H]1O)NC)O)O[C@@H](C=C3OC)C" . "CN[C@@H]1[C@H]2O[C@]3(O)[C@H](O[C@@H]2[C@H]([C@@H]([C@@H]1O)NC)O)O[C@@H](C=C3OC)C" . "JXUOVTMVWNHOAJ-XLBYJKOOSA-N" . "InChI=1S/C15H26N2O7/c1-6-5-7(21-4)15(20)14(22-6)23-13-11(19)8(16-2)10(18)9(17-3)12(13)24-15/h5-6,8-14,16-20H,1-4H3/t6-,8-,9+,10+,11+,12-,13-,14+,15+/m1/s1" . "CC(=O)NCC1CN(C(=O)O1)c1ccc(cc1)C(=O)C" . "CC(=O)NCC1CN(C(=O)O1)c1ccc(cc1)C(=O)C" . "POXUJOYUVLWPQN-UHFFFAOYSA-N" . "InChI=1S/C14H16N2O4/c1-9(17)11-3-5-12(6-4-11)16-8-13(20-14(16)19)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)" . "O=C(c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2)NCc1[nH]nc2c1cccc2" . "O=C(c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2)NCc1[nH]nc2c1cccc2" . "KGSBEYKVWODBRD-ICSRJNTNSA-N" . "InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1" . "SC[C@@H](C(=O)O)NC(=O)C" . "SC[C@@H](C(=O)O)NC(=O)C" . "PWKSKIMOESPYIA-BYPYZUCNSA-N" . "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1" . "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)N)O)N)[C@@H](C[C@@H]1O)N" . "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)N)O)N)[C@@H](C[C@@H]1O)N" . "NLVFBUXFDBBNBW-PBSUHMDJSA-N" . "InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1" . "OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4)[C@@H](O[C@@H]4O[C@@H](C)[C@@H]([C@@](C4)(C)N)O)[C@@H]4NC(=O)[C@H](NC(=O)[C@H]5c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O)[C@H](C(=O)N[C@H](C(=O)N5)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)c2ccc(c(c2)c2c([C@H](NC4=O)C(=O)O)cc(cc2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)N)O" . "OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4)[C@@H](O[C@@H]4O[C@@H](C)[C@@H]([C@@](C4)(C)N)O)[C@@H]4NC(=O)[C@H](NC(=O)[C@H]5c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O)[C@H](C(=O)N[C@H](C(=O)N5)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)c2ccc(c(c2)c2c([C@H](NC4=O)C(=O)O)cc(cc2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)N)O" . "UECIPBUIMXSXEI-BNSVOVDNSA-N" . "InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)32-11-15-43(38(74)18-32)106-45-20-33-19-44(60(45)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)105-35-12-8-30(9-13-35)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29-,39+,40-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1" . "CN(C1CC(OC(C1O)C)c1cc(C2OC(C)C(C(C2)(C)N(C)C)O)c(c2c1C(=O)c1cc(C)c3c(c1C2=O)oc(cc3=O)C1(C)OC1C1OC1C)O)C" . "CN(C1CC(OC(C1O)C)c1cc(C2OC(C)C(C(C2)(C)N(C)C)O)c(c2c1C(=O)c1cc(C)c3c(c1C2=O)oc(cc3=O)C1(C)OC1C1OC1C)O)C" . "RZOFHOWMWMTHDX-UHFFFAOYSA-N" . "InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3" . "CNC(=O)c1n[se]nc1N" . "CNC(=O)c1n[se]nc1N" . "KVRRSRDUIXUGCU-UHFFFAOYSA-N" . "InChI=1S/C4H6N4OSe/c1-6-4(9)2-3(5)8-10-7-2/h1H3,(H2,5,8)(H,6,9)" . "NC(=O)c1n[se]nc1N" . "NC(=O)c1n[se]nc1N" . "MTHSSXGAJGDHBL-UHFFFAOYSA-N" . "InChI=1S/C3H4N4OSe/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)" . "Fc1cc2c(=O)c(cn(c2c(c1N1C[C@@]2([C@@](C1)(N)CCC2)F)C)[C@@H]1C[C@@H]1F)C(=O)O" . "Fc1cc2c(=O)c(cn(c2c(c1N1C[C@@]2([C@@](C1)(N)CCC2)F)C)[C@@H]1C[C@@H]1F)C(=O)O" . "JMXNWTLVUUGTDR-UTQQSMSJSA-N" . "InChI=1S/C21H22F3N3O3/c1-10-16-11(18(28)12(19(29)30)7-27(16)15-6-13(15)22)5-14(23)17(10)26-8-20(24)3-2-4-21(20,25)9-26/h5,7,13,15H,2-4,6,8-9,25H2,1H3,(H,29,30)/t13-,15+,20-,21+/m0/s1" . "OC[C@@H]1O[C@@H](OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCC2=NC(CS2)c2scc(n2)C(=O)N)C(=O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2[nH]cnc2)[C@@]([C@H]([C@@H]1O)O)(C)O[C@@H]1OC(CO)[C@@H]([C@]([C@H]1O)(O)C(=O)N)O" . "OC[C@@H]1O[C@@H](OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCC2=NC(CS2)c2scc(n2)C(=O)N)C(=O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2[nH]cnc2)[C@@]([C@H]([C@@H]1O)O)(C)O[C@@H]1OC(CO)[C@@H]([C@]([C@H]1O)(O)C(=O)N)O" . "QRBLKGHRWFGINE-UGWAGOLRSA-N" . "InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1" . "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O" . "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O" . "AIONOLUJZLIMTK-AWEZNQCLSA-N" . "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1" . "CCOC(=O)C(=O)CBr" . "CCOC(=O)C(=O)CBr" . "VICYTAYPKBLQFB-UHFFFAOYSA-N" . "InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3" . "OC[C@H]1NC(O)[C@@H]([C@H]([C@@H]1O)O)O" . "OC[C@H]1NC(O)[C@@H]([C@H]([C@@H]1O)O)O" . "BGMYHTUCJVZIRP-GASJEMHNSA-N" . "InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3-,4+,5-,6?/m1/s1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(cc1)S(=O)C" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(cc1)S(=O)C" . "RYTTWOVTZKVWTO-ZOZMEPSFSA-N" . "InChI=1S/C13H16N2O4S/c1-9(16)14-7-11-8-15(13(17)19-11)10-3-5-12(6-4-10)20(2)18/h3-6,11H,7-8H2,1-2H3,(H,14,16)/t11-,20?/m0/s1" . "CC/C(=C/C=C/[C@@H]1C=C[C@H]2[C@H]([C@@H]1C(=O)c1[nH]ccc1)CC[C@@H]2CC)/[C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)C" . "CC/C(=C/C=C/[C@@H]1C=C[C@H]2[C@H]([C@@H]1C(=O)c1[nH]ccc1)CC[C@@H]2CC)/[C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)C" . "BAIPOTOKPGDCHA-MWBHXQFBSA-N" . "InChI=1S/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23+,24+,25+,27+,28+,30+/m0/s1" . "N[C@H]1C[C@@H](N)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](N)C)O" . "N[C@H]1C[C@@H](N)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](N)C)O" . "KJBRSTPUILEBDR-DBMIJKFDSA-N" . "InChI=1S/C19H38N4O10/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24/h4-19,24-29H,3,20-23H2,1-2H3/t4-,5+,6+,7-,8+,9-,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-/m0/s1" . "CCc1ccc(c(c1)CN(Cc1cc(CC)ccc1O)C)O" . "CCc1ccc(c(c1)CN(Cc1cc(CC)ccc1O)C)O" . "COZATXGXDYUQGG-UHFFFAOYSA-N" . "InChI=1S/C19H25NO2/c1-4-14-6-8-18(21)16(10-14)12-20(3)13-17-11-15(5-2)7-9-19(17)22/h6-11,21-22H,4-5,12-13H2,1-3H3" . "OCc1ccc(o1)C=O" . "OCc1ccc(o1)C=O" . "NOEGNKMFWQHSLB-UHFFFAOYSA-N" . "InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2" . "OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl" . "OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl" . "WRBZNIUFAKIIQG-UHFFFAOYSA-N" . "InChI=1S/C21H16ClN3O5/c1-11-6-13(7-12(2)18(11)28-10-17(26)27)19-24-16-9-23-21(25-20(16)30-19)29-15-5-3-4-14(22)8-15/h3-9H,10H2,1-2H3,(H,26,27)" . "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N" . "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N" . "WZOZEZRFJCJXNZ-ZBFHGGJFSA-N" . "InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1" . "CO[C@@]1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C" . "CO[C@@]1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C" . "SRZNHPXWXCNNDU-RHBCBLIFSA-N" . "InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13?,15-,17+/m1/s1" . "O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-]" . "O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-]" . "NXFQHRVNIOXGAQ-YCRREMRBSA-N" . "InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1" . "MLYYVTUWGNIJIB-BXKDBHETSA-N" . "InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1" . "Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N" . "Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N" . "MQJKPEGWNLWLTK-UHFFFAOYSA-N" . "InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2" . "Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C" . "Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C" . "JLKIGFTWXXRPMT-UHFFFAOYSA-N" . "InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)" . "OC[C@H]1O[C@@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]([C@@H](c4ccc(O3)c(Cl)c4)O)NC(=O)[C@@H](CC(C)C)NC)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@H]([C@@](C1)(C)N)O" . "OC[C@H]1O[C@@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]([C@@H](c4ccc(O3)c(Cl)c4)O)NC(=O)[C@@H](CC(C)C)NC)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@H]([C@@](C1)(C)N)O" . "MYPYJXKWCTUITO-LYRMYLQWSA-N" . "InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1" . "UWYHMGVUTGAWSP-JKIFEVAISA-N" . "InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1" . "CCCCCCCCCC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)Oc1c2cc3cc1Oc1ccc(cc1Cl)C[C@@H]1C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@H]3C(=O)N[C@@H]([C@@H](c4ccc(O2)c(Cl)c4)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(=O)C)O)O)C(=O)N[C@@H](c2c(c4cc3ccc4O)c(cc(c2)O)OC2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)C(=O)O)c2cc(O)cc(c2)Oc2cc([C@H](C(=O)N1)N)ccc2O" . "CCCCCCCCCC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)Oc1c2cc3cc1Oc1ccc(cc1Cl)C[C@@H]1C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@H]3C(=O)N[C@@H]([C@@H](c4ccc(O2)c(Cl)c4)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(=O)C)O)O)C(=O)N[C@@H](c2c(c4cc3ccc4O)c(cc(c2)O)OC2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)C(=O)O)c2cc(O)cc(c2)Oc2cc([C@H](C(=O)N1)N)ccc2O" . "BJNLLBUOHPVGFT-CAYRISATSA-N" . "InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88?/m1/s1" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)N=C(N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)N=C(N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC" . "UCSJYZPVAKXKNQ-HZYVHMACSA-N" . "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" . "O=C([C@@H](c1cscc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "O=C([C@@H](c1cscc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "OHKOGUYZJXTSFX-KZFFXBSXSA-N" . "InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1" . "O=C([C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=CN1CCCCCC1)OCOC(=O)C(C)(C)C" . "O=C([C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=CN1CCCCCC1)OCOC(=O)C(C)(C)C" . "NPGNOVNWUSPMDP-HLLBOEOZSA-N" . "InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17-/m1/s1" . "CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C" . "CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C" . "GSDSWSVVBLHKDQ-UHFFFAOYSA-N" . "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C" . "OWFJMIVZYSDULZ-PXOLEDIWSA-N" . "InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1" . "COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "FABPRXSRWADJSP-MEDUHNTESA-N" . "InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1" . "BPLBGHOLXOTWMN-MBNYWOFBSA-N" . "InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1" . "O=C1[C@@H](NC(=O)c2c(C)onc2c2c(F)cccc2Cl)[C@@H]2N1[C@@H](C(=O)O)C(S2)(C)C" . "O=C1[C@@H](NC(=O)c2c(C)onc2c2c(F)cccc2Cl)[C@@H]2N1[C@@H](C(=O)O)C(S2)(C)C" . "UIOFUWFRIANQPC-JKIFEVAISA-N" . "InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1" . "CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1" . "CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1" . "IVBHGBMCVLDMKU-GXNBUGAJSA-N" . "InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1" . "NC(=O)c1ccc2n(n1)c(c1ccccc1)c(n2)c1ccc(cc1)C1(N)CCC1" . "NC(=O)c1ccc2n(n1)c(c1ccccc1)c(n2)c1ccc(cc1)C1(N)CCC1" . "JBGYKRAZYDNCNV-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)" . "O=c1[nH]sc2c1CCNC2" . "O=c1[nH]sc2c1CCNC2" . "DZYJTJJQGHXSFN-UHFFFAOYSA-N" . "InChI=1S/C6H8N2OS/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)" . "O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)O" . "O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)O" . "JUZNIMUFDBIJCM-ANEDZVCMSA-N" . "InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1" . "NCCC[C@H](N(C(=O)[C@@H]1CCSCCC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@@H](CC)C)[C@H](CC)C)C)CO" . "NCCC[C@H](N(C(=O)[C@@H]1CCSCCC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@@H](CC)C)[C@H](CC)C)C)CO" . "UGNGRKKDUVKQDF-IHOMMZCZSA-N" . "InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1" . "CNc1oc(nc1C#N)c1cccc2c1cccc2" . "CNc1oc(nc1C#N)c1cccc2c1cccc2" . "DYXYXTDIFMDJIR-UHFFFAOYSA-N" . "InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@H]1O)c(Cl)ccc3O)C2=O)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@H]1O)c(Cl)ccc3O)C2=O)O)O)C(=O)N)C" . "GUXHBMASAHGULD-SEYHBJAFSA-N" . "InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1" . "N[C@H](C(=O)O)CCCCNCNC(=O)C1=C(O)[C@@]2([C@H]([C@@H](C1=O)N(C)C)C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O" . "N[C@H](C(=O)O)CCCCNCNC(=O)C1=C(O)[C@@]2([C@H]([C@@H](C1=O)N(C)C)C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O" . "PZTCVADFMACKLU-UEPZRUIBSA-N" . "InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34-35,38,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1" . "CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C" . "CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C" . "GSDSWSVVBLHKDQ-JTQLQIEISA-N" . "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC" . "AGOYDEPGAOXOCK-KCBOHYOISA-N" . "InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N)/c1ccco1" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N)/c1ccco1" . "JFPVXVDWJQMJEE-IZRZKJBUSA-N" . "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1" . "CCO/N=C(/c1nsc(n1)NP(=O)(O)O)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])Sc1scc(n1)c1cc[n+](cc1)C" . "CCO/N=C(/c1nsc(n1)NP(=O)(O)O)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])Sc1scc(n1)c1cc[n+](cc1)C" . "ZCCUWMICIWSJIX-NQJJCJBVSA-N" . "InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13-/t14-,19-/m1/s1" . "NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl" . "NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl" . "QYIYFLOTGYLRGG-UHFFFAOYSA-N" . "InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "LKCWBDHBTVXHDL-RMDFUYIESA-N" . "InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1" . "FCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F" . "FCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F" . "XTULMSXFIHGYFS-VLSRWLAYSA-N" . "InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1" . "CCCC[C@@](Nc1nc(N)nc2c1ncc(c2)F)(CO)C" . "CCCC[C@@](Nc1nc(N)nc2c1ncc(c2)F)(CO)C" . "HTCJUBZBSJQWBW-CQSZACIVSA-N" . "InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1" . "FC(c1nnc2n1nc(cc2)c1ccncc1)(c1ccc2c(c1)cccn2)F" . "FC(c1nnc2n1nc(cc2)c1ccncc1)(c1ccc2c(c1)cccn2)F" . "KOAWAWHSMVKCON-UHFFFAOYSA-N" . "InChI=1S/C20H12F2N6/c21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13/h1-12H" . "Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1" . "Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1" . "MYSWGUAQZAJSOK-UHFFFAOYSA-N" . "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" . "OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl" . "OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl" . "WIIZWVCIJKGZOK-RKDXNWHRSA-N" . "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1" . "N#CC[C@H]1CN(CCN1C(=O)C(=C)F)c1nc(OC[C@@H]2CCCN2C)nc2c1CCN(C2)c1cccc2c1c(Cl)ccc2" . "N#CC[C@H]1CN(CCN1C(=O)C(=C)F)c1nc(OC[C@@H]2CCCN2C)nc2c1CCN(C2)c1cccc2c1c(Cl)ccc2" . "PEMUGDMSUDYLHU-ZEQRLZLVSA-N" . "InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1" . "O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "LSQZJLSUYDQPKJ-NJBDSQKTSA-N" . "InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1" . "N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "AVKUERGKIZMTKX-NJBDSQKTSA-N" . "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1" . "CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C" . "CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C" . "XCIGPFMHSRYJDG-UHFFFAOYSA-N" . "InChI=1S/C31H36ClN3O4/c1-21-10-5-6-11-23(21)24-13-15-26(29(36)34-31(30(37)38)16-7-4-8-17-31)33-28(24)22-12-14-25(32)27(20-22)39-19-9-18-35(2)3/h5-6,10-15,20H,4,7-9,16-19H2,1-3H3,(H,34,36)(H,37,38)" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CC(=O)O)C)CC(C)C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)C)CC(C)C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CC(=O)O)C)CC(C)C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)C)CC(C)C)C" . "DOAUQKRTILFGHV-PDCMDPCFSA-N" . "InChI=1S/C197H325N53O55/c1-27-102(13)152(190(299)220-111(22)166(275)248-157(113(24)254)194(303)230-129(66-45-52-78-204)176(285)244-155(105(16)30-4)192(301)250-158(114(25)255)195(304)240-142(90-151(267)268)183(292)228-128(65-44-51-77-203)173(282)227-127(64-43-50-76-202)172(281)226-126(63-42-49-75-201)171(280)225-125(62-41-48-74-200)170(279)224-124(61-40-47-73-199)169(278)222-123(160(206)269)60-39-46-72-198)245-185(294)136(83-101(11)12)234-182(291)139(86-118-91-211-122-59-38-37-58-120(118)122)232-164(273)109(20)219-189(298)153(103(14)28-2)246-186(295)138(85-117-56-35-32-36-57-117)235-184(293)141(89-150(265)266)236-174(283)130(67-53-79-210-197(207)208)223-162(271)107(18)215-161(270)106(17)216-177(286)133(80-98(5)6)231-163(272)108(19)217-179(288)140(88-149(263)264)237-180(289)135(82-100(9)10)238-191(300)154(104(15)29-3)247-196(305)159(115(26)256)249-165(274)110(21)218-178(287)134(81-99(7)8)233-175(284)132(69-71-148(261)262)229-187(296)143(95-251)242-188(297)144(96-252)241-181(290)137(84-116-54-33-31-34-55-116)239-193(302)156(112(23)253)243-146(258)94-213-168(277)131(68-70-147(259)260)221-145(257)93-212-167(276)121(205)87-119-92-209-97-214-119/h31-38,54-59,91-92,97-115,121,123-144,152-159,211,251-256H,27-30,39-53,60-90,93-96,198-205H2,1-26H3,(H2,206,269)(H,209,214)(H,212,276)(H,213,277)(H,215,270)(H,216,286)(H,217,288)(H,218,287)(H,219,298)(H,220,299)(H,221,257)(H,222,278)(H,223,271)(H,224,279)(H,225,280)(H,226,281)(H,227,282)(H,228,292)(H,229,296)(H,230,303)(H,231,272)(H,232,273)(H,233,284)(H,234,291)(H,235,293)(H,236,283)(H,237,289)(H,238,300)(H,239,302)(H,240,304)(H,241,290)(H,242,297)(H,243,258)(H,244,285)(H,245,294)(H,246,295)(H,247,305)(H,248,275)(H,249,274)(H,250,301)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H4,207,208,210)/t102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112+,113+,114+,115+,121-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,152-,153-,154-,155-,156-,157-,158-,159-/m0/s1" . "OC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)CCC(=O)O)Cc1cnc[nH]1)CCC(=O)N)C(C)C" . "OC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)CCC(=O)O)Cc1cnc[nH]1)CCC(=O)N)C(C)C" . "JXPWLIYXIWGWSA-CLBRJLNISA-N" . "InChI=1S/C40H63N15O13/c1-19(2)31-38(67)51-23(8-11-29(42)58)34(63)53-26(17-56)39(68)55-14-4-6-27(55)37(66)50-24(9-12-30(59)60)33(62)52-25(15-20-16-45-18-47-20)36(65)49-22(7-10-28(41)57)32(61)48-21(35(64)54-31)5-3-13-46-40(43)44/h16,18-19,21-27,31,56H,3-15,17H2,1-2H3,(H2,41,57)(H2,42,58)(H,45,47)(H,48,61)(H,49,65)(H,50,66)(H,51,67)(H,52,62)(H,53,63)(H,54,64)(H,59,60)(H4,43,44,46)/t21-,22-,23-,24-,25-,26-,27-,31-/m0/s1" . "CC(C[C@@H](C(=O)N[C@H](C(S(=O)(=O)O)O)CC1CCNC1=O)NC(=O)OCc1ccccc1)C" . "CC(C[C@@H](C(=O)N[C@H](C(S(=O)(=O)O)O)CC1CCNC1=O)NC(=O)OCc1ccccc1)C" . "BSPZFJDYQHDZNR-ASPXRTSYSA-N" . "InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1" . "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1" . "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1" . "XRWSZZJLZRKHHD-WVWIJVSJSA-N" . "InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1" . "Sc1nnc(n1NC1CCC=C1)NNc1ccc(cc1)I" . "Sc1nnc(n1NC1CCC=C1)NNc1ccc(cc1)I" . "HZJRZVOMEGOUMN-UHFFFAOYSA-N" . "InChI=1S/C13H15IN6S/c14-9-5-7-10(8-6-9)15-16-12-17-18-13(21)20(12)19-11-3-1-2-4-11/h1,3,5-8,11,15,19H,2,4H2,(H,16,17)(H,18,21)" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1c[nH]c(c1C)C(=O)Nc1c(=O)oc2c(c1O)ccc(c2C)O[C@@H]1OC(C)(C)[C@@H]([C@H]([C@H]1O)OC(=O)c1ccc([nH]1)C)OC" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1c[nH]c(c1C)C(=O)Nc1c(=O)oc2c(c1O)ccc(c2C)O[C@@H]1OC(C)(C)[C@@H]([C@H]([C@H]1O)OC(=O)c1ccc([nH]1)C)OC" . "WTIJXIZOODAMJT-DHFGXMAYSA-N" . "InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]2[C@]1(C)OC(=O)N2CCCCn1cnc(c1)c1cccnc1)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]2[C@]1(C)OC(=O)N2CCCCn1cnc(c1)c1cccnc1)C)C)(C)OC" . "LJVAJPDWBABPEJ-XZVSULPPSA-N" . "InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37+,38-,40+,42-,43-/m1/s1" . "O=C(N[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1C)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)CN=C(N)N" . "O=C(N[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1C)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)CN=C(N)N" . "KEDAXBWZURNCHS-GPODMPQUSA-N" . "InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1" . "CO/N=C(/c1ccc(cc1)c1ccc(o1)c1ccc(cc1)/C(=N/OC)/N)/N" . "CO/N=C(/c1ccc(cc1)c1ccc(o1)c1ccc(cc1)/C(=N/OC)/N)/N" . "UKOQVLAXCBRRGH-UHFFFAOYSA-N" . "InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)" . "OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](C(=O)N[C@@H]4c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@@](C2)(C)N)O)[C@@H]2NC(=O)[C@H](NC4=O)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)CC(=O)N)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)NCc1ccc(cc1)c1ccc(cc1)Cl)O" . "OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](C(=O)N[C@@H]4c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@@](C2)(C)N)O)[C@@H]2NC(=O)[C@H](NC4=O)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)CC(=O)N)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)NCc1ccc(cc1)c1ccc(cc1)Cl)O" . "VHFGEBVPHAGQPI-LXKZPTCJSA-N" . 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"OC[C@H]1O[C@H](Oc2cc(O)cc3c2c2cc(ccc2O)[C@H]2NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](Cc6ccc(Oc7cc4cc(Oc4ccc([C@H]([C@@H](C(=O)NC3C(=O)NCCCN(C)C)NC2=O)O)cc4Cl)c7O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC(C)C)O)O)cc6)NC(=O)[C@H](NC)c2cc(Oc3cc5c(Cl)c(c3)O)c(O)cc2)[C@H]([C@H]([C@@H]1O)O)O" . "OC[C@H]1O[C@H](Oc2cc(O)cc3c2c2cc(ccc2O)[C@H]2NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](Cc6ccc(Oc7cc4cc(Oc4ccc([C@H]([C@@H](C(=O)NC3C(=O)NCCCN(C)C)NC2=O)O)cc4Cl)c7O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC(C)C)O)O)cc6)NC(=O)[C@H](NC)c2cc(Oc3cc5c(Cl)c(c3)O)c(O)cc2)[C@H]([C@H]([C@@H]1O)O)O" . "KGPGQDLTDHGEGT-VBZOGQDBSA-N" . "InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67?,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1" . "C[C@H]1O[C@@H](C)[C@H]2N(C1)c1c(CC32C(=O)NC(=O)NC3=O)cc2c(c1F)onc2N1[C@@H](C)COC1=O" . "C[C@H]1O[C@@H](C)[C@H]2N(C1)c1c(CC32C(=O)NC(=O)NC3=O)cc2c(c1F)onc2N1[C@@H](C)COC1=O" . "ZSWMIFNWDQEXDT-ZESJGQACSA-N" . "InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1" . "O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NNC(=O)[C@@H]1CCCNC1" . "O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NNC(=O)[C@@H]1CCCNC1" . "YCZPXRQPDCXTIO-BBBLOLIVSA-N" . "InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1" . "CO/N=C/1/CN(CC21CNC2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O" . "CO/N=C/1/CN(CC21CNC2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O" . "ZNPOCLHDJCAZAH-UCQKPKSFSA-N" . "InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)/b23-14-" . "CNCC[C@H]([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)O" . "CNCC[C@H]([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)O" . "PZLOCBSBEUDCPF-YJIVIRPOSA-N" . "InChI=1S/C18H29N3O5S/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26)/t8-,9-,10+,11+,12-,13-,14-/m1/s1" . "COc1ccc2c(c1)c([C@H](CC[C@@H]1CCN(C[C@@H]1C(=O)O)CCSc1cccs1)O)c(cn2)F" . "COc1ccc2c(c1)c([C@H](CC[C@@H]1CCN(C[C@@H]1C(=O)O)CCSc1cccs1)O)c(cn2)F" . "USGHRRVFKSLEJT-WVBUVRCRSA-N" . "InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1" . "CCCC[C@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@H](NC)[C@@H]([C@@H]([C@H]3O[C@]2(C(=O)C1)O)NC)O" . "CCCC[C@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@H](NC)[C@@H]([C@@H]([C@H]3O[C@]2(C(=O)C1)O)NC)O" . "KHAUBYTYGDOYRU-IRXASZMISA-N" . "InChI=1S/C17H30N2O7/c1-4-5-6-8-7-9(20)17(23)16(24-8)25-15-13(22)10(18-2)12(21)11(19-3)14(15)26-17/h8,10-16,18-19,21-23H,4-7H2,1-3H3/t8-,10-,11+,12+,13+,14-,15-,16+,17+/m1/s1" . "CO[C@H]1CCC[C@H]2C1=C(C(=O)O)N1[C@H]2[C@H](C1=O)[C@H](O)C" . "CO[C@H]1CCC[C@H]2C1=C(C(=O)O)N1[C@H]2[C@H](C1=O)[C@H](O)C" . "ICFDDEJRXZSWTA-KJFVXYAMSA-N" . "InChI=1S/C14H19NO5/c1-6(16)9-11-7-4-3-5-8(20-2)10(7)12(14(18)19)15(11)13(9)17/h6-9,11,16H,3-5H2,1-2H3,(H,18,19)/t6-,7+,8+,9-,11-/m1/s1" . "COc1cc(cc(c1OC)OC)C(=O)C(=O)N([C@H](C(=O)N(C(CCc1ccncc1)CCc1ccncc1)Cc1ccccc1)Cc1ccc(cc1)Cl)C" . "COc1cc(cc(c1OC)OC)C(=O)C(=O)N([C@H](C(=O)N(C(CCc1ccncc1)CCc1ccncc1)Cc1ccccc1)Cc1ccc(cc1)Cl)C" . "MQSMWZHHUGSULF-QNGWXLTQSA-N" . "InChI=1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1" . "OC(=O)CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N(C1(C)C)OS(=O)(=O)O" . "OC(=O)CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N(C1(C)C)OS(=O)(=O)O" . "VAMSVIZLXJOLHZ-QWFSEIHXSA-N" . "InChI=1S/C12H15N5O9S2/c1-12(2)8(10(21)17(12)26-28(22,23)24)15-9(20)7(16-25-3-6(18)19)5-4-27-11(13)14-5/h4,8H,3H2,1-2H3,(H2,13,14)(H,15,20)(H,18,19)(H,22,23,24)/b16-7-/t8-/m1/s1" . "CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F" . "CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F" . "QKDHBVNJCZBTMR-UHFFFAOYSA-N" . "InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)" . "OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C" . "OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C" . "XFALPSLJIHVRKE-GFCCVEGCSA-N" . "InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)OCOC(=O)C(C)(C)C)SC1CN(C1)C1=NCCS1)O" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)OCOC(=O)C(C)(C)C)SC1CN(C1)C1=NCCS1)O" . "SNUDIPVBUUXCDG-QHSBEEBCSA-N" . "InChI=1S/C22H31N3O6S2/c1-11-15-14(12(2)26)18(27)25(15)16(19(28)30-10-31-20(29)22(3,4)5)17(11)33-13-8-24(9-13)21-23-6-7-32-21/h11-15,26H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1" . "O=C1NC[C@@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C" . "O=C1NC[C@@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C" . "CTEFNVKDRWMZSL-CTNSIQBBSA-N" . "InChI=1S/C14H18N2O5S/c1-5-10-9(6(2)17)13(19)16(10)11(14(20)21)12(5)22-7-3-8(18)15-4-7/h5-7,9-10,17H,3-4H2,1-2H3,(H,15,18)(H,20,21)/t5-,6-,7-,9-,10-/m1/s1" . "O=[S@@]1CC[C@@H](C1)SC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "O=[S@@]1CC[C@@H](C1)SC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "FLSUCZWOEMTFAQ-PRBGKLEPSA-N" . "InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1" . "NCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C" . "NCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C" . "UIRKNQLZZXALBI-MSVGPLKSSA-N" . "InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1" . "C[C@@H]1N[C@H](C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1" . "C[C@@H]1N[C@H](C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1" . "DZZWHBIBMUVIIW-DTORHVGOSA-N" . "InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+" . "O=C(N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1)CN=C(c1ccncc1)N" . "O=C(N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1)CN=C(c1ccncc1)N" . "WRFCGBVLTRJBKN-QSNWEANLSA-N" . "InChI=1S/C24H26N6O5S/c1-24(2)18(23(34)35)30-21(33)17(22(30)36-24)29-20(32)16(13-6-4-3-5-7-13)28-15(31)12-27-19(25)14-8-10-26-11-9-14/h3-11,16-18,22H,12H2,1-2H3,(H2,25,27)(H,28,31)(H,29,32)(H,34,35)/t16-,17-,18+,22-/m1/s1" . "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2CCCCn1nnc(c1)c1cccc(c1)N)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2CCCCn1nnc(c1)c1cccc(c1)N)C)C)(C)OC" . "IXXFZUPTQVDPPK-ZAWHAJPISA-N" . "InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1" . "Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F" . "Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F" . "XBHBWNFJWIASRO-UHFFFAOYSA-N" . "InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)" . "CCCNCCOc1cc(F)cc(c1)S(=O)(=O)C" . "CCCNCCOc1cc(F)cc(c1)S(=O)(=O)C" . "OSBPYFBXSLJHCR-UHFFFAOYSA-N" . "InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3" . "O=CC[C@H]1C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O)CC)C" . "O=CC[C@H]1C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O)CC)C" . "IUPCWCLVECYZRV-JZMZINANSA-N" . "InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1" . "NC(=O)OCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "NC(=O)OCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "IKQNRQOUOZJHTR-UWBRJAPDSA-N" . "InChI=1S/C10H12N2O6S/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16)/t3-,5+,8-/m1/s1" . "O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1" . "O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1" . "SMOBCLHAZXOKDQ-ZJUUUORDSA-N" . "InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1" . "C[C@@H]1NCC(=C1)c1csc(n1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C" . "C[C@@H]1NCC(=C1)c1csc(n1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C" . "XFGOMLIRJYURLQ-GOKYHWASSA-N" . "InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1" . "O=CC1=C[C@H](O)[C@@H]([C@H]([C@@H]1OC(=O)CC(C)C)O)O" . "O=CC1=C[C@H](O)[C@@H]([C@H]([C@@H]1OC(=O)CC(C)C)O)O" . "HEWICEWYFOOYNG-OHBODLIOSA-N" . "InChI=1S/C12H18O6/c1-6(2)3-9(15)18-12-7(5-13)4-8(14)10(16)11(12)17/h4-6,8,10-12,14,16-17H,3H2,1-2H3/t8-,10-,11+,12+/m0/s1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1" . "BTTNOGHPGJANSW-IBGZPJMESA-N" . "InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1" . "CN[C@H]([C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)C" . "CN[C@H]([C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)C" . "SUQUWONDIBHQOZ-NWDGAFQWSA-N" . "InChI=1S/C21H26FN3O4/c1-11(23-2)12-6-7-24(9-12)18-16(22)8-14-17(20(18)29-3)25(13-4-5-13)10-15(19(14)26)21(27)28/h8,10-13,23H,4-7,9H2,1-3H3,(H,27,28)/t11-,12+/m0/s1" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CNCCO)O" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CNCCO)O" . "IYDYFVUFSPQPPV-PEXOCOHZSA-N" . "InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1" . "O=C1NC/C=C/C(=C/C(O)CC(O)Cc2nc(C(=O)NC(C(=O)OC(C(/C=C/1)C)C(C)C)C)co2)/C" . "O=C1NC/C=C/C(=C/C(O)CC(O)Cc2nc(C(=O)NC(C(=O)OC(C(/C=C/1)C)C(C)C)C)co2)/C" . "SAQNYTQFLPVTNJ-JYXGQRMOSA-N" . "InChI=1S/C26H37N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-20,24,30-31H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6+,9-8+,16-11+" . "O=C(N1CC(C1=O)NC(=O)/C(=N/OC(C(=O)O)(C)C)/c1csc(n1)N)NS(=O)(=O)N1CCN(C1=O)NC(=O)c1[nH]cc(c(=O)c1)O" . "O=C(N1CC(C1=O)NC(=O)/C(=N/OC(C(=O)O)(C)C)/c1csc(n1)N)NS(=O)(=O)N1CCN(C1=O)NC(=O)c1[nH]cc(c(=O)c1)O" . "JXSPWQGYERHATM-MUXKCCDJSA-N" . "InChI=1S/C22H24N10O12S2/c1-22(2,18(38)39)44-28-14(11-8-45-19(23)26-11)16(36)25-10-7-30(17(10)37)20(40)29-46(42,43)32-4-3-31(21(32)41)27-15(35)9-5-12(33)13(34)6-24-9/h5-6,8,10,34H,3-4,7H2,1-2H3,(H2,23,26)(H,24,33)(H,25,36)(H,27,35)(H,29,40)(H,38,39)/b28-14-" . "[C@]([2H])(C(=O)O)(CF)N" . "[C@]([2H])(C(=O)O)(CF)N" . "UYTSRQMXRROFPU-LIIDHCAMSA-N" . "InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1/i2D" . "NC(C(S)(C)C)C(=O)O" . "N[C@H](C(S)(C)C)C(=O)O" . "VVNCNSJFMMFHPL-VKHMYHEASA-N" . "InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1" . "CC[C@@H](C(=O)O[C@H](C1(O)C(OC)CC(OC1C)OC1C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C1O)[C@@]1(O)CC(=O)C(=N)C(=C1O)C(=O)O)C)C.COC1CC(OC2C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C2O)[C@@]2(O)CC(=O)C(=N)C(=C2O)C(=O)O)OC(C1(O)[C@@H](OC(=O)C(C)C)C)C" . "CC[C@@H](C(=O)O[C@H](C1(O)C(OC)CC(OC1C)OC1C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C1O)[C@@]1(O)CC(=O)C(=N)C(=C1O)C(=O)O)C)C.COC1CC(OC2C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C2O)[C@@]2(O)CC(=O)C(=N)C(=C2O)C(=O)O)OC(C1(O)[C@@H](OC(=O)C(C)C)C)C" . "VSHJMNNDPYEUOT-ILYCIZJESA-N" . "InChI=1S/C44H64N4O23S3.C43H62N4O23S3/c1-10-16(2)40(61)68-19(5)44(64)18(4)67-28(11-27(44)65-9)70-34-32(53)36(43(63)12-25(52)30(45)29(35(43)54)39(59)60)69-26(13-66-22(8)51)33(34)71-41(62)31(17(3)73-14-23(37(55)56)46-20(6)49)48-42(72)74-15-24(38(57)58)47-21(7)50;1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h16-19,23-24,26-28,31-34,36,45,53-54,63-64H,10-15H2,1-9H3,(H,46,49)(H,47,50)(H,48,72)(H,55,56)(H,57,58)(H,59,60);15-18,22-23,25-27,30-33,35,44,52-53,62-63H,10-14H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16-,17?,18?,19-,23-,24-,26?,27?,28?,31?,32?,33?,34?,36?,43+,44?;16?,17?,18-,22-,23-,25?,26?,27?,30?,31?,32?,33?,35?,42+,43?/m00/s1" . "CNc1ncc(cc1C)c1ccc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1" . "CNc1ncc(cc1C)c1ccc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1" . "XPIJWUTXQAGSLK-UHFFFAOYSA-N" . "InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)" . "Oc1cccc(c1)/C=C/C1=NCCCN1C" . "Oc1cccc(c1)/C=C/C1=NCCCN1C" . "VRYKTHBAWRESFI-VOTSOKGWSA-N" . "InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(cc(c(c3C(=C1C2=O)O)O)CNCC(C)(C)C)N(C)C)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(cc(c(c3C(=C1C2=O)O)O)CNCC(C)(C)C)N(C)C)O)O)C(=O)N)C" . "VJYKVCURWJGLPG-IQZGDKDPSA-N" . "InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1" . "N[C@@H]1CN(CC21CC2)c1c(F)c(N)c2c(c1C)n(cc(c2=O)C(=O)O)C1CC1" . "N[C@@H]1CN(CC21CC2)c1c(F)c(N)c2c(c1C)n(cc(c2=O)C(=O)O)C1CC1" . "LEILBPMISZFZQK-GFCCVEGCSA-N" . "InChI=1S/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1" . "Nc1ccc(nn1)/C=C/c1ccc(o1)[N+](=O)[O-]" . "Nc1ccc(nn1)/C=C/c1ccc(o1)[N+](=O)[O-]" . "XDWLRMBWIWKFNC-HNQUOIGGSA-N" . "InChI=1S/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)/b3-1+" . "COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N" . "COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N" . "AVPQPGFLVZTJOR-RYUDHWBXSA-N" . "InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1" . "CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C" . "CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C" . "VHKXXVVRRDYCIK-CWCPJSEDSA-N" . "InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1" . "TYZROVQLWOKYKF-ZDUSSCGKSA-N" . "InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1" . "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O" . "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O" . "NDCUAPJVLWFHHB-UHNVWZDZSA-N" . "InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2/C(=N/O[C@H](c1nnc(s1)c1ccccn1)C)/N)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2/C(=N/O[C@H](c1nnc(s1)c1ccccn1)C)/N)C)C)(C)OC" . "RLFCSBSRGRJFRO-QAOQTAGDSA-N" . "InChI=1S/C42H62N6O11S/c1-13-28-42(9)30(29(39(53)58-42)35(43)47-59-25(7)36-45-46-37(60-36)26-16-14-15-17-44-26)22(4)31(49)20(2)19-41(8,54-12)34(23(5)32(50)24(6)38(52)56-28)57-40-33(51)27(48(10)11)18-21(3)55-40/h14-17,20-25,27-30,33-34,40,51H,13,18-19H2,1-12H3,(H2,43,47)/t20-,21-,22-,23+,24-,25+,27+,28-,29-,30+,33-,34-,40+,41-,42-/m1/s1" . "N#Cc1c(N2C[C@H]3[C@H](C2)NCCO3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "N#Cc1c(N2C[C@H]3[C@H](C2)NCCO3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "FYMHQCNFKNMJAV-HOTGVXAUSA-N" . "InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1" . "O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CN(P(=O)(OC(=O)C)O)c1ccon1" . "O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CN(P(=O)(OC(=O)C)O)c1ccon1" . "YCRAGJLWFBGKFE-CYBMUJFWSA-N" . "InChI=1S/C20H18F3N4O8P/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32)/t13-/m1/s1" . "O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CNc1ccon1" . "O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CNc1ccon1" . "SULYVXZZUMRQAX-NSHDSACASA-N" . "InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1" . "CN(C(=N)N=C(N)N)C" . "CN(C(=N)N=C(N)N)C" . "XZWYZXLIPXDOLR-UHFFFAOYSA-N" . "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)" . "NCCC[C@@H]1NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CCN)Cc1c[nH]c2c1cccc2)CCN)CCN)C)CO)[C@H](O)C)Cc1c[nH]c2c1cccc2)[C@H](CC)C" . "NCCC[C@@H]1NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CCN)Cc1c[nH]c2c1cccc2)CCN)CCN)C)CO)[C@H](O)C)Cc1c[nH]c2c1cccc2)[C@H](CC)C" . "RIDRXGOBXZLKHZ-NZUANIILSA-N" . "InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-53(33-41-35-80-45-15-8-6-13-43(41)45)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)82-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-54(68(106)92-58)34-42-36-81-46-16-9-7-14-44(42)46/h6-9,13-16,35-36,38-40,47-59,80-81,96-97H,5,10-12,17-34,37,74-79H2,1-4H3,(H,82,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38-,39-,40+,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-/m0/s1" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C" . "FFTVPQUHLQBXQZ-KVUCHLLUSA-N" . "InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1" . "OCC1OC(Oc2c3Oc4ccc(cc4Cl)C(OC4OC(CO)C(C(C4NC(=O)C)O)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)CC2C(=O)NC(C(=O)N5)c3cc(O)cc(c3)Oc3cc(C(C(=O)N2)N)ccc3O)c2ccc(c(c2)c2c(C(NC4=O)C(=O)NCCCN(C)C)cc(cc2OC2OC(CO)C(C(C2O)O)O)O)O)C(C(C1O)O)NC(=O)CCCCCCC(C)C" . "OCC1OC(Oc2c3Oc4ccc(cc4Cl)C(OC4OC(CO)C(C(C4NC(=O)C)O)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)CC2C(=O)NC(C(=O)N5)c3cc(O)cc(c3)Oc3cc(C(C(=O)N2)N)ccc3O)c2ccc(c(c2)c2c(C(NC4=O)C(=O)NCCCN(C)C)cc(cc2OC2OC(CO)C(C(C2O)O)O)O)O)C(C(C1O)O)NC(=O)CCCCCCC(C)C" . "KVZUWEFUEGGULL-UHFFFAOYSA-N" . "InChI=1S/C93H109Cl2N11O32/c1-38(2)11-8-6-7-9-12-65(115)100-73-79(120)76(117)63(36-108)135-92(73)138-83-60-30-45-31-61(83)132-57-20-16-43(28-52(57)95)82(137-91-72(98-39(3)110)78(119)75(116)62(35-107)134-91)74-90(129)104-71(86(125)97-21-10-22-106(4)5)50-33-47(112)34-59(133-93-81(122)80(121)77(118)64(37-109)136-93)66(50)49-27-42(15-17-54(49)113)68(87(126)105-74)102-89(128)70(45)103-88(127)69-44-25-46(111)32-48(26-44)130-58-29-41(14-18-55(58)114)67(96)85(124)99-53(84(123)101-69)24-40-13-19-56(131-60)51(94)23-40/h13-20,23,25-34,38,53,62-64,67-82,91-93,107-109,111-114,116-122H,6-12,21-22,24,35-37,96H2,1-5H3,(H,97,125)(H,98,110)(H,99,124)(H,100,115)(H,101,123)(H,102,128)(H,103,127)(H,104,129)(H,105,126)" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O" . "DMJNNHOOLUXYBV-PQTSNVLCSA-N" . "InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1" . "O=CCC1CC(C)C(O)/C=C/C2OC2CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC)OC)OC(=O)CC)C" . "O=CCC1CC(C)C(O)/C=C/C2OC2CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC)OC)OC(=O)CC)C" . "FFXJTOKFQATYBI-BUHFOSPRSA-N" . "InChI=1S/C41H67NO16/c1-11-30(45)55-29-19-32(47)51-22(4)18-28-27(54-28)14-13-26(44)21(3)17-25(15-16-43)37(38(29)50-10)58-40-35(48)34(42(8)9)36(23(5)53-40)57-33-20-41(7,49)39(24(6)52-33)56-31(46)12-2/h13-14,16,21-29,33-40,44,48-49H,11-12,15,17-20H2,1-10H3/b14-13+" . "COc1ccc(cc1)n1nc(nc1c1ccc(cc1)OC)OC" . "COc1ccc(cc1)n1nc(nc1c1ccc(cc1)OC)OC" . "OBAICMYWONZOSZ-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3" . "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@H](C[C@H]2O)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@H](C[C@H]2O)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "KPVIXBKIJXZQJX-FCEONZPQSA-N" . "InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1" . "FCCn1cc(C(=O)O)c(=O)c2c1c(OC)c(N1C[C@@H]([C@@H](C1)F)CNC1CC1)c(c2)F" . "FCCn1cc(C(=O)O)c(=O)c2c1c(OC)c(N1C[C@@H]([C@@H](C1)F)CNC1CC1)c(c2)F" . "ZFIOCUITTUUVPV-MEDUHNTESA-N" . "InChI=1S/C21H24F3N3O4/c1-31-20-17-13(19(28)14(21(29)30)9-26(17)5-4-22)6-15(23)18(20)27-8-11(16(24)10-27)7-25-12-2-3-12/h6,9,11-12,16,25H,2-5,7-8,10H2,1H3,(H,29,30)/t11-,16+/m0/s1" . "OC(=O)c1ccccc1Nc1cccc(c1C)Cl" . "OC(=O)c1ccccc1Nc1cccc(c1C)Cl" . "YEZNLOUZAIOMLT-UHFFFAOYSA-N" . "InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)" . "O=C(CNC(=O)[C@H](CCCNC(=N)N)N)NCC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CCCNC(=N)N)C(C)C)CC(C)C" . "O=C(CNC(=O)[C@H](CCCNC(=N)N)N)NCC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CCCNC(=N)N)C(C)C)CC(C)C" . "GUCYBPFJNGVFEB-XELKFLSISA-N" . "InChI=1S/C78H126N30O18S4/c1-39(2)28-49(99-57(111)32-93-56(110)31-94-63(115)45(79)16-10-24-89-75(81)82)66(118)103-53-36-128-130-38-55(72(124)107-60(40(3)4)73(125)96-34-58(112)97-46(62(80)114)17-11-25-90-76(83)84)106-74(126)61(41(5)6)108-71(123)54-37-129-127-35-52(104-68(120)51(102-70(53)122)30-43-20-22-44(109)23-21-43)69(121)100-47(18-12-26-91-77(85)86)64(116)95-33-59(113)98-48(19-13-27-92-78(87)88)65(117)101-50(67(119)105-54)29-42-14-8-7-9-15-42/h7-9,14-15,20-23,39-41,45-55,60-61,109H,10-13,16-19,24-38,79H2,1-6H3,(H2,80,114)(H,93,110)(H,94,115)(H,95,116)(H,96,125)(H,97,112)(H,98,113)(H,99,111)(H,100,121)(H,101,117)(H,102,122)(H,103,118)(H,104,120)(H,105,119)(H,106,126)(H,107,124)(H,108,123)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-/m0/s1" . "C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O" . "C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O" . "ZSKVGTPCRGIANV-ZXFLCMHBSA-N" . "InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1" . "OC(=O)c1cn2C(C)CCc3c2c(c1=O)cc(c3C)F" . "OC(=O)c1cn2C(C)CCc3c2c(c1=O)cc(c3C)F" . "DXKRGNXUIRKXNR-UHFFFAOYSA-N" . "InChI=1S/C15H14FNO3/c1-7-3-4-9-8(2)12(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h5-7H,3-4H2,1-2H3,(H,19,20)" . "CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O" . "CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O" . "AIJTTZAVMXIJGM-UHFFFAOYSA-N" . "InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)" . "O=c1cnc2c3n1[C@H](CN1CCC(CC1)NCc1ncc4c(c1)CCCO4)Cn3c(=O)cc2" . "O=c1cnc2c3n1[C@H](CN1CCC(CC1)NCc1ncc4c(c1)CCCO4)Cn3c(=O)cc2" . "PZFAZQUREQIODZ-LJQANCHMSA-N" . "InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1" . "COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "XUBOMFCQGDBHNK-UHFFFAOYSA-N" . "InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)" . "CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)/CCC=C(C)C)C[C@H]([C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)O)C" . "CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)/CCC=C(C)C)C[C@H]([C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)O)C" . "IECPWNUMDGFDKC-MZJAQBGESA-N" . "InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1" . "[O-][N+](=O)c1ccc(o1)c1csc2=NCCn12" . "[O-][N+](=O)c1ccc(o1)c1csc2=NCCn12" . "QWNNGDMXFGRSPJ-UHFFFAOYSA-N" . "InChI=1S/C9H7N3O3S/c13-12(14)8-2-1-7(15-8)6-5-16-9-10-3-4-11(6)9/h1-2,5H,3-4H2" . "C[C@@H]1O[C@@H]1P(=O)(O)O" . "C[C@@H]1O[C@@H]1P(=O)(O)O" . "YMDXZJFXQJVXBF-STHAYSLISA-N" . "InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1" . "C[C@@H](c1cccc(c1O)C(C)C)C1CC1" . "C[C@@H](c1cccc(c1O)C(C)C)C1CC1" . "BMEARIQHWSVDBS-SNVBAGLBSA-N" . "InChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1" . "CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cn1)F)C(=O)O" . "CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cn1)F)C(=O)O" . "AWCAUUQZTXYMPB-UHFFFAOYSA-N" . "InChI=1S/C20H18F2N4O3/c1-24-4-6-25(7-5-24)17-9-16-13(8-15(17)22)19(27)14(20(28)29)11-26(16)18-3-2-12(21)10-23-18/h2-3,8-11H,4-7H2,1H3,(H,28,29)" . "NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1" . "NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1" . "QGPKADBNRMWEQR-UHFFFAOYSA-N" . "InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)" . "CC(=O)C1=C(O)[C@@]2([C@H]([C@H](C1=O)N)Cc1c(C2=O)c(O)c2c(c1C)ccc(c2O)C)O" . "CC(=O)C1=C(O)[C@@]2([C@H]([C@H](C1=O)N)Cc1c(C2=O)c(O)c2c(c1C)ccc(c2O)C)O" . "LUYXWZOOMKBUMB-ONJZCGHCSA-N" . "InChI=1S/C22H21NO7/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25/h4-5,12,16,25-26,28,30H,6,23H2,1-3H3/t12-,16+,22+/m0/s1" . "Oc1ccccc1c1nc2ccnc(c2c(=O)n1C(Cc1ccccc1)C)C(F)(F)F" . "Oc1ccccc1c1nc2ccnc(c2c(=O)n1[C@@H](Cc1ccccc1)C)C(F)(F)F" . "KLURSWGCQQKDCT-CQSZACIVSA-N" . "InChI=1S/C23H18F3N3O2/c1-14(13-15-7-3-2-4-8-15)29-21(16-9-5-6-10-18(16)30)28-17-11-12-27-20(23(24,25)26)19(17)22(29)31/h2-12,14,30H,13H2,1H3/t14-/m1/s1" . "COC[C@H]1O[C@@H](O[C@@H]2OC[C@H]3[C@H]([C@H]2O)O[C@@]2(O3)OC[C@H]([C@H]3[C@H]2OCO3)OC(=O)c2c(C)cc(cc2O)O)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](C)[C@@H]2[C@]([C@@H]1O)(C)O[C@]1(O2)C[C@@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)[N+](=O)[O-])OC)OC(=O)c1c(C)c(Cl)c(c(c1OC)Cl)O)OC)O)OC" . "COC[C@H]1O[C@@H](O[C@@H]2OC[C@H]3[C@H]([C@H]2O)O[C@@]2(O3)OC[C@H]([C@H]3[C@H]2OCO3)OC(=O)c2c(C)cc(cc2O)O)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](C)[C@@H]2[C@]([C@@H]1O)(C)O[C@]1(O2)C[C@@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)[N+](=O)[O-])OC)OC(=O)c1c(C)c(Cl)c(c(c1OC)Cl)O)OC)O)OC" . "UPADRKHAIMTUCC-OWALTSPQSA-N" . "InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39+,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1" . "O=C(Nc1cc(F)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CN1CCCC1" . "O=C(Nc1cc(F)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CN1CCCC1" . "AKLMFDDQCHURPW-ISIOAQNYSA-N" . "InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1" . "OCC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C" . "OCC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C" . "SIMWTRCFFSTNMG-AWEZNQCLSA-N" . "InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m0/s1" . "N[C@H]1C[C@@]2([C@H]1CN(C2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O)C" . "N[C@H]1C[C@@]2([C@H]1CN(C2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O)C" . "WNVIWAUAXKEKKF-PJFSTRORSA-N" . "InChI=1S/C19H21FN4O3/c1-19-5-14(21)12(19)7-23(8-19)17-13(20)4-10-15(25)11(18(26)27)6-24(9-2-3-9)16(10)22-17/h4,6,9,12,14H,2-3,5,7-8,21H2,1H3,(H,26,27)/t12-,14-,19-/m0/s1" . "CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cc1)F)C(=O)O" . "CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cc1)F)C(=O)O" . "NOCJXYPHIIZEHN-UHFFFAOYSA-N" . "InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)" . "CC(=O)Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1OC(=O)C)C(=O)O" . "CC(=O)Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1OC(=O)C)C(=O)O" . "TYNLGDBUJLVSMA-UHFFFAOYSA-N" . "InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)" . "OC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(N)c(cc1F)F" . "OC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(N)c(cc1F)F" . "DYDCPNMLZGFQTM-UHFFFAOYSA-N" . "InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)" . "CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)C[C@@H](CS[C@@H]1CN3CCC1CC3)C(=O)C2)c1ccccc1" . "CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)C[C@@H](CS[C@@H]1CN3CCC1CC3)C(=O)C2)c1ccccc1" . "WTHRRGMBUAHGNI-LCYNINFDSA-N" . "InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1" . "CCN(CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc1nc(C2=O)co1)O)/C)CC" . "CCN(CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc1nc(C2=O)co1)O)/C)CC" . "SUYRLXYYZQTJHF-VMBLUXKRSA-N" . "InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1" . "CN1C(=O)CC(C1=O)(C)c1ccccc1" . "CN1C(=O)CC(C1=O)(C)c1ccccc1" . "AJXPJJZHWIXJCJ-UHFFFAOYSA-N" . "InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3" . "FC(=C)c1sc(c(c1Br)C)CNCCCNc1cc(=O)c2c([nH]1)cccc2" . "FC(=C)c1sc(c(c1Br)C)CNCCCNc1cc(=O)c2c([nH]1)cccc2" . "BGJMKHPWCFXMOW-UHFFFAOYSA-N" . "InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26)" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2)C)C)(C)OC/C=C/c1cnc2c(c1)cccc2" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2)C)C)(C)OC/C=C/c1cnc2c(c1)cccc2" . "PENDGIOBPJLVBT-ONLVEXIXSA-N" . "InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1" . "Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1cc(c(c2)F)N1C[C@H]([C@@H]1C)N" . "Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1cc(c(c2)F)N1C[C@H]([C@@H]1C)N" . "LTDOHCZUKCZDEQ-BJOHPYRUSA-N" . "InChI=1S/C20H16F3N3O3/c1-9-15(24)8-25(9)18-6-17-11(5-14(18)23)19(27)12(20(28)29)7-26(17)16-3-2-10(21)4-13(16)22/h2-7,9,15H,8,24H2,1H3,(H,28,29)/t9-,15+/m0/s1" . "OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1" . "OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1" . "LPQZKKCYTLCDGQ-WEDXCCLWSA-N" . "InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1" . "NCCNC(=O)Nc1c[n+](n(c1N)C)CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/OC(C(=O)O)(C)C)/c1nsc(n1)N" . "NCCNC(=O)Nc1c[n+](n(c1N)C)CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/OC(C(=O)O)(C)C)/c1nsc(n1)N" . "JHFNIHVVXRKLEF-DCZLAGFPSA-N" . "InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)OCOC(=O)C(C)(C)C)/c1csc(n1)NC(=O)[C@@H](N)C" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)OCOC(=O)C(C)(C)C)/c1csc(n1)NC(=O)[C@@H](N)C" . "VOPANQNVVCPHQR-IVVGYLHBSA-N" . "InChI=1S/C22H28N6O8S2/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29)/b27-13-/t10-,14+,18+/m0/s1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O" . "NNULBSISHYWZJU-LLKWHZGFSA-N" . "InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1" . "NC(=O)Cc1cccc(c1N)C(=O)c1ccccc1" . "NC(=O)Cc1cccc(c1N)C(=O)c1ccccc1" . "QEFAQIPZVLVERP-UHFFFAOYSA-N" . "InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)" . "O=CCn1c(S/C=C/C2=C(C(=O)O)N3[C@H](SC2)[C@@H](C3=O)NC(=O)/C(=N/OC)/c2csc(n2)N)n[nH]c(=O)c1=O" . "O=CCn1c(S/C=C/C2=C(C(=O)O)N3[C@H](SC2)[C@@H](C3=O)NC(=O)/C(=N/OC)/c2csc(n2)N)n[nH]c(=O)c1=O" . "WJXAHFZIHLTPFR-JLRJEBFFSA-N" . "InChI=1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1" . "O=C([C@H](S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N" . "O=C([C@H](S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N" . "SYLKGLMBLAAGSC-QLVMHMETSA-N" . "InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1" . "F[C@H](C(=O)O)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C" . "F[C@H](C(=O)O)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C" . "CZCMDCKIUIXEQC-VQVTYTSYSA-N" . "InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6+,7+/m1/s1" . "F[C@H](C(=O)OC(C)C)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C" . "F[C@H](C(=O)OC(C)C)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C" . "OMNVFPBGXYKTDB-UTLUCORTSA-N" . "InChI=1S/C13H18FN3O5/c1-6(2)21-12(19)10(14)22-17-9-5-16(13(17)20)8(11(15)18)4-7(9)3/h4,6,8-10H,5H2,1-3H3,(H2,15,18)/t8-,9+,10+/m1/s1" . "O=C([C@@H](c1ccccc1)NC(=O)c1nc[nH]c1C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc(cc1)CCS(=O)(=O)[O-]" . "O=C([C@@H](c1ccccc1)NC(=O)c1nc[nH]c1C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc(cc1)CCS(=O)(=O)[O-]" . "LNZMRLHZGOBKAN-KAWPREARSA-N" . "InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1" . "COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N" . "COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N" . "PJSFRIWCGOHTNF-UHFFFAOYSA-N" . "InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)" . "Nc1nc(cs1)/C(=N/O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)SCSc1cn[nH]n1" . "Nc1nc(cs1)/C(=N/O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)SCSc1cn[nH]n1" . "UEQVTKSAEXANEZ-DKQCJYJNSA-N" . "InChI=1S/C15H14N8O5S4/c16-15-18-5(2-30-15)8(21-28)11(24)19-9-12(25)23-10(14(26)27)6(3-29-13(9)23)31-4-32-7-1-17-22-20-7/h1-2,9,13,28H,3-4H2,(H2,16,18)(H,19,24)(H,26,27)(H,17,20,22)/b21-8+/t9-,13-/m1/s1" . "FCO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])/C=C/C[N+](CC(=O)N)(CC)C" . "FCO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])/C=C/C[N+](CC(=O)N)(CC)C" . "XAKKNLNAJBNLPC-MAYKBZFQSA-N" . "InChI=1S/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/t13-,18-,29?/m1/s1" . "O=C1[C@@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[N+]1(CCCC1)CCNC(=O)c1ccc(c(c1Cl)O)O)C(=O)[O-]" . "O=C1[C@@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[N+]1(CCCC1)CCNC(=O)c1ccc(c(c1Cl)O)O)C(=O)[O-]" . "DBPPRLRVDVJOCL-FQRUVTKNSA-N" . "InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1" . "OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O" . "OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O" . "ILZCDOYRDFDUPN-UITOYEBDSA-N" . "InChI=1S/C20H17N5O9S2/c21-20-22-8(6-36-20)12(24-34-14(19(32)33)7-1-2-10(26)11(27)5-7)15(28)23-13-16(29)25-9(18(30)31)3-4-35-17(13)25/h1-3,5-6,13-14,17,26-27H,4H2,(H2,21,22)(H,23,28)(H,30,31)(H,32,33)/b24-12+/t13-,14+,17-/m1/s1" . "NCCNC1CCC(CC1)CC(=O)N[C@H]1Cc2cccc(c2OB1O)C(=O)O" . "NCCNC1CCC(CC1)CC(=O)N[C@H]1Cc2cccc(c2OB1O)C(=O)O" . "PFZUWUXKQPRWAL-PXCJXSSVSA-N" . "InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12?,14?,16-/m0/s1" . "NC(=O)O[C@H](c1ccccc1Cl)Cn1nncn1" . "NC(=O)O[C@H](c1ccccc1Cl)Cn1nncn1" . "GFHAXPJGXSQLPT-VIFPVBQESA-N" . "InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1" . "CO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N" . "CO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N" . "JUVHVMCKLDZLGN-TVNFHGJBSA-N" . "InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)CSC(F)(F)F" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)CSC(F)(F)F" . "HGXLJRWXCXSEJO-GMSGAONNSA-N" . "InChI=1S/C13H13F3N6O4S3/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26)/t7-,10-/m1/s1" . "OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C" . "OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C" . "FKENQMMABCRJMK-RITPCOANSA-N" . "InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1" . "OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(O)CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O" . "OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(O)CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O" . "XWFCFMXQTBGXQW-GOSISDBHSA-N" . "InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1" . "NCC[C@@H](CN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "NCC[C@@H](CN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "OCFOTEIMZBKQFS-DGMGPCKZSA-N" . "InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)OC(=O)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)OC(=O)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC" . "RQLDKUSQKQMFCN-AEXVNIBOSA-N" . "InChI=1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,21+/m0/s1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]1(C)CCCC1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]1(C)CCCC1" . "HVFLCNVBZFFHBT-ZKDACBOMSA-N" . "InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1" . "O=C(C(c1ccccc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "O=C(C(c1ccccc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "FPPNZSSZRUTDAP-UWFZAAFLSA-N" . "InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1" . "CN[C@@H]1[C@H](O[C@@H]2[C@@H]([C@@H]1O)O[C@@H]([C@@H](C2)N)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O)N)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)N" . "CN[C@@H]1[C@H](O[C@@H]2[C@@H]([C@@H]1O)O[C@@H]([C@@H](C2)N)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O)N)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)N" . "XZNUGFQTQHRASN-XQENGBIVSA-N" . "InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1" . "O=C([C@@H](c1ccccc1)NC(=O)c1c[nH]c2c(c1=O)nccc2)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "O=C([C@@H](c1ccccc1)NC(=O)c1c[nH]c2c(c1=O)nccc2)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "XMQVYNAURODYCQ-SLFBBCNNSA-N" . "InChI=1S/C25H23N5O6S/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36)/t15-,17-,19+,23-/m1/s1" . "CNn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F" . "CNn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F" . "RUXPNBWPIRDVTH-UHFFFAOYSA-N" . "InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)" . "COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F" . "COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F" . "PQUGCKBLVKJMNT-UHFFFAOYSA-N" . "InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3" . "OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C" . "OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C" . "JYJTVFIEFKZWCJ-JTQLQIEISA-N" . "InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)/t10-/m0/s1" . "O=C([C@@H](N)C)OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C" . "O=C([C@@H](N)C)OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C" . "OUXXDXXQNWKOIF-RYUDHWBXSA-N" . "InChI=1S/C22H26FN3O5/c1-11-3-4-14-18-15(20(27)16(21(28)29)10-26(11)18)9-17(23)19(14)25-7-5-13(6-8-25)31-22(30)12(2)24/h9-13H,3-8,24H2,1-2H3,(H,28,29)/t11-,12-/m0/s1" . "O=C1CCc2c(N1)ncc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C" . "O=C1CCc2c(N1)ncc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C" . "QXTWSUQCXCWEHF-JXMROGBWSA-N" . "InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+" . "NC/C(=C/1/CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)/F" . "NC/C(=C/1/CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)/F" . "VMKVDAAFMQKZJS-LFIBNONCSA-N" . "InChI=1S/C21H23F2N3O4/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29)/b16-11+" . "CCCCCC[C@H](C(=O)O)Sc1nc2c(s1)cc(cc2)NS(=O)(=O)c1ccc(cc1Cl)Cl" . "CCCCCC[C@H](C(=O)O)Sc1nc2c(s1)cc(cc2)NS(=O)(=O)c1ccc(cc1Cl)Cl" . "GTNKAJJMCCFDIU-QGZVFWFLSA-N" . "InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1" . "Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C/1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C" . "Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C/1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C" . "ZGFJFBOLVLFLLN-ZNLRHDTNSA-N" . "InChI=1S/C32H37ClN2O3/c1-30(2)21-35(18-15-32(30,37)22-9-12-24(33)13-10-22)17-6-8-25-26-7-5-16-34-28(26)20-38-29-14-11-23(19-27(25)29)31(3,4)36/h5,7-14,16,19,36-37H,6,15,17-18,20-21H2,1-4H3/b25-8+" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1ccccc1" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1ccccc1" . "BRFDPJYHCJVJEP-ZJOUEHCJSA-N" . "InChI=1S/C25H26N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h1-9,14-15,18-19,21,28H,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1" . "Fc1cccc(c1)CNC(=O)C1CCN(CC1)[C@@H](c1cccc2c1cccc2)C" . "Fc1cccc(c1)CNC(=O)C1CCN(CC1)[C@@H](c1cccc2c1cccc2)C" . "XJTWGMHOQKGBDO-GOSISDBHSA-N" . "InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1" . "O=C(C1CCCCCC1)N[C@H](C(=O)C(=O)N/N=C/1/SC[C@H](N1C)C)C1CCOCC1" . "O=C(C1CCCCCC1)N[C@H](C(=O)C(=O)N/N=C/1/SC[C@H](N1C)C)C1CCOCC1" . "BTZCSXIUAFVRTE-CHGLIHOBSA-N" . "InChI=1S/C21H34N4O4S/c1-14-13-30-21(25(14)2)24-23-20(28)18(26)17(15-9-11-29-12-10-15)22-19(27)16-7-5-3-4-6-8-16/h14-17H,3-13H2,1-2H3,(H,22,27)(H,23,28)/b24-21-/t14-,17+/m1/s1" . "COc1ccc2c(c1)n(CCCC(=O)N)c1c2ccnc1C" . "COc1ccc2c(c1)n(CCCC(=O)N)c1c2ccnc1C" . "MRZRJTZGNFPMNY-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21)" . "CC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@H](C(F)(F)F)c1ccc(cc1)F" . "CC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@H](C(F)(F)F)c1ccc(cc1)F" . "PPUXXDKQNAHHON-BJLQDIEVSA-N" . "InChI=1S/C23H29F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-18,20,29H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,20-/m0/s1" . "O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)Cc1ccccc1" . "O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)Cc1ccccc1" . "NGBKFLTYGSREKK-PMACEKPBSA-N" . "InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1" . "COc1nn(cc1Nc1nccc(n1)c1c[nH]c2c1cccc2NC(=O)[C@H](N1CCN(CC1)C)C)C" . "COc1nn(cc1Nc1nccc(n1)c1c[nH]c2c1cccc2NC(=O)[C@H](N1CCN(CC1)C)C)C" . "CVCVOSPZEVINRM-MRXNPFEDSA-N" . "InChI=1S/C25H31N9O2/c1-16(34-12-10-32(2)11-13-34)23(35)28-20-7-5-6-17-18(14-27-22(17)20)19-8-9-26-25(29-19)30-21-15-33(3)31-24(21)36-4/h5-9,14-16,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t16-/m1/s1" . "Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2c2cnn(c2cc1)C)C" . "Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2c2cnn(c2cc1)C)C" . "BBKUPPVLTRGWDN-GDLZYMKVSA-N" . "InChI=1S/C29H29N7O/c1-18-28(35(3)33-32-18)21-15-25-27(30-16-21)26-22-17-31-34(2)23(22)9-10-24(26)36(25)29(19-7-5-4-6-8-19)20-11-13-37-14-12-20/h4-10,15-17,20,29H,11-14H2,1-3H3/t29-/m1/s1" . "C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O" . "C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O" . "HJWHHQIVUHOBQN-UHFFFAOYSA-N" . "InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2" . "COc1cc(ccc1c1cnco1)NC(=O)Nc1cccc(c1)CNC(=O)O[C@@H]1COCC1" . "COc1cc(ccc1c1cnco1)NC(=O)Nc1cccc(c1)CNC(=O)O[C@@H]1COCC1" . "JBPUGFODGPKTDW-SFHVURJKSA-N" . "InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1" . "COc1ccc(c(c1Cl)Cl)[C@@H](NC(=O)N([C@@H]1CCN(CC1(C)C)C)C)C" . "COc1ccc(c(c1Cl)Cl)[C@@H](NC(=O)N([C@@H]1CCN(CC1(C)C)C)C)C" . "WGIAKIIMCPKJQN-SWLSCSKDSA-N" . "InChI=1S/C19H29Cl2N3O2/c1-12(13-7-8-14(26-6)17(21)16(13)20)22-18(25)24(5)15-9-10-23(4)11-19(15,2)3/h7-8,12,15H,9-11H2,1-6H3,(H,22,25)/t12-,15+/m0/s1" . "O=C1Nc2c(C1=NNc1nc3c(o1)cccc3)cccc2" . "O=C1Nc2c(C1=NNc1nc3c(o1)cccc3)cccc2" . "NWUCBUGDPJNKAC-UHFFFAOYSA-N" . "InChI=1S/C15H10N4O2/c20-14-13(9-5-1-2-6-10(9)16-14)18-19-15-17-11-7-3-4-8-12(11)21-15/h1-8H,(H,17,19)(H,16,18,20)" . "CNC(=O)c1ccc(nc1)Oc1ccc2c(c1)CCN(CC2)C1CCC1" . "CNC(=O)c1ccc(nc1)Oc1ccc2c(c1)CCN(CC2)C1CCC1" . "WROHEWWOCPRMIA-UHFFFAOYSA-N" . "InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)NO" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)NO" . "XCUAIINAJCDIPM-XVFCMESISA-N" . "InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1" . "C/C(=C/CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/CC/C=C(/C(=O)O)/C)/C" . "C/C(=C/CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/CC/C=C(/C(=O)O)/C)/C" . "QOFWRHWADNWKSU-LRXIOGKNSA-N" . "InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1" . "NCCC1CCN(CC1)C(=O)[C@H](NS(=O)(=O)c1cccc(c1)C1=CCC(C=C1Cl)Cl)Cc1cccc(c1)C(=N)N" . "NCCC1CCN(CC1)C(=O)[C@H](NS(=O)(=O)c1cccc(c1)C1=CCC(C=C1Cl)Cl)Cc1cccc(c1)C(=N)N" . "LMPUOHRYPACLDR-IQHZPMLTSA-N" . "InChI=1S/C29H35Cl2N5O3S/c30-23-7-8-25(26(31)18-23)21-4-2-6-24(17-21)40(38,39)35-27(16-20-3-1-5-22(15-20)28(33)34)29(37)36-13-10-19(9-12-32)11-14-36/h1-6,8,15,17-19,23,27,35H,7,9-14,16,32H2,(H3,33,34)/t23?,27-/m1/s1" . "ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C(F)(F)F" . "ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C(F)(F)F" . "XVPZEJHHJYHMIV-UHFFFAOYSA-N" . "InChI=1S/C13H14ClF3N2O4S/c14-8-12(20)18-9-1-2-10(13(15,16)17)11(7-9)24(21,22)19-3-5-23-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)" . "COC(=O)[C@@H]([C@H](NC(=O)c1ccc(cc1)c1cc[n+](cc1)[O-])C)Cc1cccc(c1)C(=N)N" . "COC(=O)[C@@H]([C@H](NC(=O)c1ccc(cc1)c1cc[n+](cc1)[O-])C)Cc1cccc(c1)C(=N)N" . "PFGVNLZDWRZPJW-OPAMFIHVSA-N" . "InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1" . "CCCN1CCC=C(C1)c1onc(c1)c1ccc(cc1)C" . "CCCN1CCC=C(C1)c1onc(c1)c1ccc(cc1)C" . "FOQRKFCLRMMKAT-UHFFFAOYSA-N" . "InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3" . "CCNC(=O)c1cc2c([nH]1)c(=O)n(cc2c1cc(ccc1Oc1c(C)cc(cc1C)F)C(O)(C)C)C" . "CCNC(=O)c1cc2c([nH]1)c(=O)n(cc2c1cc(ccc1Oc1c(C)cc(cc1C)F)C(O)(C)C)C" . "OEDSFMUSNZDJFD-UHFFFAOYSA-N" . "InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)" . "O=C(Nc1cc(ccc1S(=O)(=O)C)C(F)(F)F)Nc1cnc(nc1)Oc1ccc(cc1)c1cc(Cl)cnc1N" . "O=C(Nc1cc(ccc1S(=O)(=O)C)C(F)(F)F)Nc1cnc(nc1)Oc1ccc(cc1)c1cc(Cl)cnc1N" . "GYPOVJZOMXEUDO-UHFFFAOYSA-N" . "InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)NCc1ccc(cc1)c1scnc1C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)NCc1ccc(cc1)c1scnc1C" . "PTAMRJLIOCHJMQ-PYNGZGNASA-N" . "InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1" . "Fc1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "Fc1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "AGKZEOCNYCHVLW-UHFFFAOYSA-N" . "InChI=1S/C24H31FN2/c25-22-13-11-21(12-14-22)24(19-20-7-3-1-4-8-20)27-17-15-26(16-18-27)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2" . "Fc1cccc(c1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "Fc1cccc(c1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "CGVHPULMBGGZPI-UHFFFAOYSA-N" . "InChI=1S/C24H31FN2/c25-22-11-7-10-21(19-22)24(18-20-8-3-1-4-9-20)27-16-14-26(15-17-27)23-12-5-2-6-13-23/h1,3-4,7-11,19,23-24H,2,5-6,12-18H2" . "Fc1ccccc1C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "Fc1ccccc1C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "BZESPHAKQKJBSM-UHFFFAOYSA-N" . "InChI=1S/C24H31FN2/c25-23-14-8-7-13-22(23)24(19-20-9-3-1-4-10-20)27-17-15-26(16-18-27)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2" . "C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1" . "C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1" . "IGBRRSIHEGCUEN-UHFFFAOYSA-N" . "InChI=1S/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2" . "Clc1ccc(c(c1)c1cn[nH]c1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1" . "Clc1ccc(c(c1)c1cn[nH]c1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1" . "ZYSCOUXLBXGGIM-UHFFFAOYSA-N" . "InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)" . "Cc1c([C@H]2COC(=N2)N)cccc1F" . "Cc1c([C@H]2COC(=N2)N)cccc1F" . "IOHOUWIYOVWGHV-SECBINFHSA-N" . "InChI=1S/C10H11FN2O/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1" . "Cn1nnc(n1)N(Cc1cc2cccc(c2nc1N(CC1CC1)CC1CC1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "Cn1nnc(n1)N(Cc1cc2cccc(c2nc1N(CC1CC1)CC1CC1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "OCNBSSLDAIWTKS-UHFFFAOYSA-N" . "InChI=1S/C30H31F6N7/c1-18-4-3-5-22-12-23(27(37-26(18)22)42(14-19-6-7-19)15-20-8-9-20)17-43(28-38-40-41(2)39-28)16-21-10-24(29(31,32)33)13-25(11-21)30(34,35)36/h3-5,10-13,19-20H,6-9,14-17H2,1-2H3" . "O=C(OC(C)(C)C)Nc1cccn(c1=O)[C@H](C(=O)N[C@H]([C@H](C(=O)NCc1ccccc1)O)C[C@@H]1CCNC1=O)CC1CC1" . "O=C(OC(C)(C)C)Nc1cccn(c1=O)[C@H](C(=O)N[C@H]([C@H](C(=O)NCc1ccccc1)O)C[C@@H]1CCNC1=O)CC1CC1" . "FRACPXUHUTXLCX-BELIEFIBSA-N" . "InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25+/m0/s1" . "ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N(C)C)Cl" . "ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N(C)C)Cl" . "YEHYODCKTNLFQU-UHFFFAOYSA-N" . "InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)" . "CCCCCCNc1cc(=O)[nH]c(=O)[nH]1" . "CCCCCCNc1cc(=O)[nH]c(=O)[nH]1" . "SDXQSUJXSHUIBQ-UHFFFAOYSA-N" . "InChI=1S/C10H17N3O2/c1-2-3-4-5-6-11-8-7-9(14)13-10(15)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15)" . "NC(=O)c1cccc(c1)C(=C1CCN(CC1)Cc1scnc1)c1ccc(cc1)C(=O)N(C)C" . "NC(=O)c1cccc(c1)C(=C1CCN(CC1)Cc1scnc1)c1ccc(cc1)C(=O)N(C)C" . "ACDBSKNTCSNAAV-UHFFFAOYSA-N" . "InChI=1S/C26H28N4O2S/c1-29(2)26(32)20-8-6-18(7-9-20)24(21-4-3-5-22(14-21)25(27)31)19-10-12-30(13-11-19)16-23-15-28-17-33-23/h3-9,14-15,17H,10-13,16H2,1-2H3,(H2,27,31)" . "CC(C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(=O)OCc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1noc(c1)C)C)C" . "CC(C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(=O)OCc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1noc(c1)C)C)C" . "IDBWWEGDLCFCTD-NQJFWITJSA-N" . "InChI=1S/C35H48N6O8/c1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24/h7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43)/b13-12-/t23-,25-,26+,27-,30-/m0/s1" . "CCC(COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N)C)CC" . "CCC(COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N)C)CC" . "RWWYLEGWBNMMLJ-YSOARWBDSA-N" . "InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1" . "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C" . "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C" . "SRVFFFJZQVENJC-IHRRRGAJSA-N" . "InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1" . "CC(OC(=O)N[C@H](C(=O)NCCOCCOc1cc2CCN[C@](c2cc1Oc1ccc(c(c1)F)c1ccc(cc1)C(=O)O)(C)CC(=O)Nc1nccs1)CCCN/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)(C)C" . "CC(OC(=O)N[C@H](C(=O)NCCOCCOc1cc2CCN[C@](c2cc1Oc1ccc(c(c1)F)c1ccc(cc1)C(=O)O)(C)CC(=O)Nc1nccs1)CCCN/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)(C)C" . "BOAJXEFAPWTSFX-FXASYPJLSA-N" . "InChI=1S/C53H69FN8O13S/c1-50(2,3)73-47(67)59-39(12-11-20-56-45(61-48(68)74-51(4,5)6)62-49(69)75-52(7,8)9)43(64)55-22-24-70-25-26-71-40-28-34-19-21-58-53(10,31-42(63)60-46-57-23-27-76-46)37(34)30-41(40)72-35-17-18-36(38(54)29-35)32-13-15-33(16-14-32)44(65)66/h13-18,23,27-30,39,58H,11-12,19-22,24-26,31H2,1-10H3,(H,55,64)(H,59,67)(H,65,66)(H,57,60,63)(H2,56,61,62,68,69)/t39-,53+/m0/s1" . "O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)C" . "O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)C" . "JUVQLZBJFOGEEO-GOTSBHOMSA-N" . "InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1" . "O[C@H]1CCC[C@@H]1N1COc2c(C1=O)cc(c(c2Cl)C)Cc1ccc(nc1)Cl" . "O[C@H]1CCC[C@@H]1N1COc2c(C1=O)cc(c(c2Cl)C)Cc1ccc(nc1)Cl" . "BWJHJLINOYAPEG-HOTGVXAUSA-N" . "InChI=1S/C20H20Cl2N2O3/c1-11-13(7-12-5-6-17(21)23-9-12)8-14-19(18(11)22)27-10-24(20(14)26)15-3-2-4-16(15)25/h5-6,8-9,15-16,25H,2-4,7,10H2,1H3/t15-,16-/m0/s1" . "CCO[C@H]1CCN([C@@H](C1)c1ccc(cc1)C(=O)O)Cc1c(OC)cc(c2c1cc[nH]2)C" . "CCO[C@H]1CCN([C@@H](C1)c1ccc(cc1)C(=O)O)Cc1c(OC)cc(c2c1cc[nH]2)C" . "RENRQMCACQEWFC-UGKGYDQZSA-N" . "InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1" . "COc1cc(ccc1OC)c1cnn2c1nc(NC1CC(C)(C)N(C(C1)(C)C)C)c(c2N)c1ccccc1" . "COc1cc(ccc1OC)c1cnn2c1nc(NC1CC(C)(C)N(C(C1)(C)C)C)c(c2N)c1ccccc1" . "YRBWLEAMGAGYBK-UHFFFAOYSA-N" . "InChI=1S/C30H38N6O2/c1-29(2)16-21(17-30(3,4)35(29)5)33-27-25(19-11-9-8-10-12-19)26(31)36-28(34-27)22(18-32-36)20-13-14-23(37-6)24(15-20)38-7/h8-15,18,21H,16-17,31H2,1-7H3,(H,33,34)" . "Brc1cccc(c1)Nc1nc(SCCN2CCOCC2)nc2c1cnn2CC(c1ccccc1)Cl" . "Brc1cccc(c1)Nc1nc(SCCN2CCOCC2)nc2c1cnn2CC(c1ccccc1)Cl" . "TWWILBWAYDXBCM-UHFFFAOYSA-N" . "InChI=1S/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ncc2c1nc(Cl)cc2N[C@H](c1ccccc1F)C)COP(=O)(CP(=O)(O)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ncc2c1nc(Cl)cc2N[C@H](c1ccccc1F)C)COP(=O)(CP(=O)(O)O)O" . "MFYLCAMJNGIULC-KCVUFLITSA-N" . "InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(I)nc2N" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(I)nc2N" . "OJRUSAPKCPIVBY-KQYNXXCUSA-N" . "InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1" . "O=C(N[C@H](C(=O)N[C@H](C(=O)C(=O)NCc1ccccc1)C[C@@H]1CCNC1=O)CC1CCCCC1)/C=C/c1ccccc1" . "O=C(N[C@H](C(=O)N[C@H](C(=O)C(=O)NCc1ccccc1)C[C@@H]1CCNC1=O)CC1CCCCC1)/C=C/c1ccccc1" . "QTGORSKTHIBLJT-FIVJMQNTSA-N" . "InChI=1S/C33H40N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1,3-5,8-11,14-17,24,26-28H,2,6-7,12-13,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26-,27-,28-/m0/s1" . "O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)O[C@@H]1CC[C@H]([C@@H](c2c1nccc2)N)c1cccc(c1F)F" . "O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)O[C@@H]1CC[C@H]([C@@H](c2c1nccc2)N)c1cccc(c1F)F" . "KRNAOFGYEFKHPB-ANJVHQHFSA-N" . "InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1" . "[O-][N+](=O)c1cnc(s1)Sc1nnc(s1)N" . "[O-][N+](=O)c1cnc(s1)Sc1nnc(s1)N" . "NQQBNZBOOHHVQP-UHFFFAOYSA-N" . "InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)" . "Fc1ccc2c(c1)c(=O)cc(o2)C(=O)NCC1(O)CCC(CC1)(F)F" . "Fc1ccc2c(c1)c(=O)cc(o2)C(=O)NCC1(O)CCC(CC1)(F)F" . "PJBRCGHQNUWERQ-UHFFFAOYSA-N" . "InChI=1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2n(c1)c(cn2)c1nnc(o1)CCN1CCN(CC1)C" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2n(c1)c(cn2)c1nnc(o1)CCN1CCN(CC1)C" . "LSPJWTULWKYRTQ-UHFFFAOYSA-N" . "InChI=1S/C28H28F2N8O4S/c1-36-9-11-37(12-10-36)8-7-26-33-34-28(42-26)23-16-31-25-6-3-18(17-38(23)25)19-13-22(27(41-2)32-15-19)35-43(39,40)24-5-4-20(29)14-21(24)30/h3-6,13-17,35H,7-12H2,1-2H3" . "COc1ccc2c(c1)c1CCN=C(c1n2Cc1ccc(cc1)Cl)C" . "COc1ccc2c(c1)c1CCN=C(c1n2Cc1ccc(cc1)Cl)C" . "SRMUEFRMPPZYOH-UHFFFAOYSA-N" . "InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3" . "Clc1ccc(cn1)OCC1CC2C(N1)C2" . "Clc1ccc(cn1)OCC1CC2C(N1)C2" . "PYSCVJMLJRHJGJ-UHFFFAOYSA-N" . "InChI=1S/C11H13ClN2O/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8/h1-2,5,7-8,10,14H,3-4,6H2" . "O=C1N(CCc2c3c1cccc3n[nH]2)[C@@H]1CN2CCC1CC2" . "O=C1N(CCc2c3c1cccc3n[nH]2)[C@@H]1CN2CCC1CC2" . "WHLXDRXTKZLGFK-OAHLLOKOSA-N" . "InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1" . "OCC([C@H](NC(=O)c1cccc(c1c1[nH]nc(c1)c1ccc(cc1)F)F)Cn1nccn1)(F)F" . "OCC([C@H](NC(=O)c1cccc(c1c1[nH]nc(c1)c1ccc(cc1)F)F)Cn1nccn1)(F)F" . "UEPRFRHXFVOHAM-LJQANCHMSA-N" . "InChI=1S/C22H18F4N6O2/c23-14-6-4-13(5-7-14)17-10-18(31-30-17)20-15(2-1-3-16(20)24)21(34)29-19(22(25,26)12-33)11-32-27-8-9-28-32/h1-10,19,33H,11-12H2,(H,29,34)(H,30,31)/t19-/m1/s1" . "O=C(Nc1ccc(cc1)I)COc1ccccc1C(=O)NCC(=O)N(c1ccccc1)C" . "O=C(Nc1ccc(cc1)I)COc1ccccc1C(=O)NCC(=O)N(c1ccccc1)C" . "HFVDMJQQAKLUSN-UHFFFAOYSA-N" . "InChI=1S/C24H22IN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)" . "C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccc2c(c1)ncc(n2)Br)c1ccc(cc1)C(C)C" . "C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccc2c(c1)ncc(n2)Br)c1ccc(cc1)C(C)C" . "ALANRBCCCQEPFZ-UHFFFAOYSA-N" . "InChI=1S/C29H23BrN4O2/c1-4-13-36-22-10-12-26-23(15-22)28(21-8-6-20(7-9-21)18(2)3)33-29(35)34(26)17-19-5-11-24-25(14-19)31-16-27(30)32-24/h1,5-12,14-16,18H,13,17H2,2-3H3" . "CCCOC(=O)c1cccc(c1)c1cc(ccc1CN)C(=O)Nc1ccncc1F" . "CCCOC(=O)c1cccc(c1)c1cc(ccc1CN)C(=O)Nc1ccncc1F" . "PNWBYIFLWUCWKS-UHFFFAOYSA-N" . "InChI=1S/C23H22FN3O3/c1-2-10-30-23(29)17-5-3-4-15(11-17)19-12-16(6-7-18(19)13-25)22(28)27-21-8-9-26-14-20(21)24/h3-9,11-12,14H,2,10,13,25H2,1H3,(H,26,27,28)" . "COc1ccc(cc1NC[C@@H]1[C@H](C1(C)C)c1ccc(cc1)S(=O)(=O)N)Cl" . "COc1ccc(cc1NC[C@@H]1[C@H](C1(C)C)c1ccc(cc1)S(=O)(=O)N)Cl" . "LWWDCTBUJUEFDE-CRAIPNDOSA-N" . "InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)/t15-,18-/m1/s1" . "OC1CCC(CC1)NCc1cc(Br)cc(c1N)Br" . "OC1CCC(CC1)NCc1cc(Br)cc(c1N)Br" . "JBDGDEWWOUBZPM-UHFFFAOYSA-N" . "InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2" . "CC(CC(=O)c1ccc(c(c1)OC1COCC1)OC(F)F)C" . "CC(CC(=O)c1ccc(c(c1)OC1COCC1)OC(F)F)C" . "IXURVUHDDXFYDR-UHFFFAOYSA-N" . "InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3" . "OCCOc1cc(cc(n1)N1CCOCC1)c1cc(ccc1C)NC(=O)c1ccnc(c1)C(F)(F)F" . "OCCOc1cc(cc(n1)N1CCOCC1)c1cc(ccc1C)NC(=O)c1ccnc(c1)C(F)(F)F" . "UEPXBTCUIIGYCY-UHFFFAOYSA-N" . "InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)" . "Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N/[C@H](C(=O)N)C(C)C)/NS(=O)(=O)c1ccc(cc1)Cl" . "Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N/[C@H](C(=O)N)C(C)C)/NS(=O)(=O)c1ccc(cc1)Cl" . "GTCSIQFTNPTSLO-RPWUZVMVSA-N" . "InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1" . "O=CN1c2ccccc2CC1c1c[nH]c2c1cccc2" . "O=CN1c2ccccc2CC1c1c[nH]c2c1cccc2" . "GFACBUCIUAKRSV-UHFFFAOYSA-N" . "InChI=1S/C17H14N2O/c20-11-19-16-8-4-1-5-12(16)9-17(19)14-10-18-15-7-3-2-6-13(14)15/h1-8,10-11,17-18H,9H2" . "CC(Oc1ccc(c(c1)c1cnc(c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(=O)O)N)F)C" . "CC(Oc1ccc(c(c1)c1cnc(c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(=O)O)N)F)C" . "UZIATSFXNVOVFE-OAHLLOKOSA-N" . "InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1" . "CCN1CCN(CC1)C(=O)Nc1nccc(c1)c1cn(c2c1ccnc2)C1CCOCC1" . "CCN1CCN(CC1)C(=O)Nc1nccc(c1)c1cn(c2c1ccnc2)C1CCOCC1" . "SAZIAQSVBIWIDU-UHFFFAOYSA-N" . "InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)" . "O=c1[nH]c(SCCN2CCN(CC2)CCSc2nc3ccccc3c(=O)[nH]2)nc2c1cccc2" . "O=c1[nH]c(SCCN2CCN(CC2)CCSc2nc3ccccc3c(=O)[nH]2)nc2c1cccc2" . "RHCZTJJJLXGIDT-UHFFFAOYSA-N" . "InChI=1S/C24H26N6O2S2/c31-21-17-5-1-3-7-19(17)25-23(27-21)33-15-13-29-9-11-30(12-10-29)14-16-34-24-26-20-8-4-2-6-18(20)22(32)28-24/h1-8H,9-16H2,(H,25,27,31)(H,26,28,32)" . "COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O" . "COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O" . "NGMYNFJANBHLKA-LVKFHIPRSA-N" . "InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)[C@H](O)C)C)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)CCCNC(=N)N)Cc1[nH]cnc1)CC(C)C)CCC(=O)O)CCC(=O)N)CO)CC(C)C)CCCNC(=N)N)CC(C)C)C(C)C)N" . "NCCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)[C@H](O)C)C)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)CCCNC(=N)N)Cc1[nH]cnc1)CC(C)C)CCC(=O)O)CCC(=O)N)CO)CC(C)C)CCCNC(=N)N)CC(C)C)C(C)C)N" . "SLYFITHISHUGLZ-QPMCIWSFSA-N" . "InChI=1S/C152H248N50O49S2/c1-66(2)48-91(189-143(245)113(70(9)10)195-140(242)103-64-253-252-63-102(193-122(224)83(154)24-18-19-43-153)139(241)188-97(56-108(158)216)135(237)200-115(73(13)206)144(246)174-71(11)121(223)196-116(74(14)207)148(250)194-103)123(225)171-59-110(218)175-84(25-20-44-168-150(161)162)124(226)183-94(51-69(7)8)132(234)192-101(62-204)138(240)180-87(37-40-105(155)213)126(228)178-89(39-42-112(220)221)127(229)185-93(50-68(5)6)131(233)186-95(54-80-58-167-65-173-80)133(235)177-85(26-21-45-169-151(163)164)125(227)184-92(49-67(3)4)130(232)179-88(38-41-106(156)214)129(231)199-119(77(17)210)147(249)191-99(53-79-31-35-82(212)36-32-79)149(251)202-47-23-28-104(202)141(243)181-86(27-22-46-170-152(165)166)128(230)198-118(76(16)209)146(248)190-98(57-109(159)217)136(238)197-114(72(12)205)142(244)172-60-111(219)176-100(61-203)137(239)187-96(55-107(157)215)134(236)201-117(75(15)208)145(247)182-90(120(160)222)52-78-29-33-81(211)34-30-78/h29-36,58,65-77,83-104,113-119,203-212H,18-28,37-57,59-64,153-154H2,1-17H3,(H2,155,213)(H2,156,214)(H2,157,215)(H2,158,216)(H2,159,217)(H2,160,222)(H,167,173)(H,171,225)(H,172,244)(H,174,246)(H,175,218)(H,176,219)(H,177,235)(H,178,228)(H,179,232)(H,180,240)(H,181,243)(H,182,247)(H,183,226)(H,184,227)(H,185,229)(H,186,233)(H,187,239)(H,188,241)(H,189,245)(H,190,248)(H,191,249)(H,192,234)(H,193,224)(H,194,250)(H,195,242)(H,196,223)(H,197,238)(H,198,230)(H,199,231)(H,200,237)(H,201,236)(H,220,221)(H4,161,162,168)(H4,163,164,169)(H4,165,166,170)/t71-,72+,73+,74+,75+,76+,77+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-,116-,117-,118-,119-/m0/s1" . "O/N=C/1/C=C(NC(C(=O)Nc2cc(OC)cc(c2)OC)Cc2ccccc2)C(=O)c2c1cccc2" . "O/N=C/1/C=C(NC(C(=O)Nc2cc(OC)cc(c2)OC)Cc2ccccc2)C(=O)c2c1cccc2" . "BTNMSAUAXSTYIU-JJKYIXSRSA-N" . "InChI=1S/C27H25N3O5/c1-34-19-13-18(14-20(15-19)35-2)28-27(32)25(12-17-8-4-3-5-9-17)29-24-16-23(30-33)21-10-6-7-11-22(21)26(24)31/h3-11,13-16,25,29,33H,12H2,1-2H3,(H,28,32)/b30-23+" . "COc1ccc2c(c1)c1CCN[C@@]3(c1[nH]2)CS[C@@H]1c2c(OC(=O)C)c(C)c4c(c2[C@H](COC3=O)N2[C@@H]1[C@@H]1N([C@H]([C@@H]2O)Cc2c1c(O)c(c(c2)C)OC)C)OCO4" . "COc1ccc2c(c1)c1CCN[C@@]3(c1[nH]2)CS[C@@H]1c2c(OC(=O)C)c(C)c4c(c2[C@H](COC3=O)N2[C@@H]1[C@@H]1N([C@H]([C@@H]2O)Cc2c1c(O)c(c(c2)C)OC)C)OCO4" . "YDDMIZRDDREKEP-HWTBNCOESA-N" . "InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1" . "O=C1OCCCCCCCCCCCNC(=O)[C@@H](NC(=O)C[C@@H]([C@@H](N1)Cc1ccccc1)O)C(C)C" . "O=C1OCCCCCCCCCCCNC(=O)[C@@H](NC(=O)C[C@@H]([C@@H](N1)Cc1ccccc1)O)C(C)C" . "ISMDILRWKSYCOD-GNKBHMEESA-N" . "InChI=1S/C28H45N3O5/c1-21(2)26-27(34)29-17-13-8-6-4-3-5-7-9-14-18-36-28(35)30-23(24(32)20-25(33)31-26)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,26,32H,3-9,13-14,17-20H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t23-,24-,26-/m0/s1" . "NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2" . "JJVZSYKFCOBILL-MKMRYRNGSA-N" . "InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1" . "Oc1c(cccc1c1ccc(o1)C(=O)O)N=Nc1c(C)[nH]n(c1=O)c1ccc2c(c1)CCCC2" . "Oc1c(cccc1c1ccc(o1)C(=O)O)N=Nc1c(C)[nH]n(c1=O)c1ccc2c(c1)CCCC2" . "YATJUTCKRWETAB-UHFFFAOYSA-N" . "InChI=1S/C25H22N4O5/c1-14-22(24(31)29(28-14)17-10-9-15-5-2-3-6-16(15)13-17)27-26-19-8-4-7-18(23(19)30)20-11-12-21(34-20)25(32)33/h4,7-13,28,30H,2-3,5-6H2,1H3,(H,32,33)" . "C=CC(=O)N1CCN([C@H](C1)C)c1nc(=O)n(c2c1cc(F)c(n2)c1c(O)cccc1F)c1c(C)ccnc1C(C)C" . "C=CC(=O)N1CCN([C@H](C1)C)c1nc(=O)n(c2c1cc(F)c(n2)c1c(O)cccc1F)c1c(C)ccnc1C(C)C" . "NXQKSXLFSAEQCZ-SFHVURJKSA-N" . "InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1" . "C=CC(=O)N1C[C@@H]2C(=O)N(C)c3c(N2C[C@H]1C)c1cc(Cl)c(c(c1nc3)F)c1c(O)cccc1F" . "C=CC(=O)N1C[C@@H]2C(=O)N(C)c3c(N2C[C@H]1C)c1cc(Cl)c(c(c1nc3)F)c1c(O)cccc1F" . "XDVMVEOFPVCHEL-SJKOYZFVSA-N" . "InChI=1S/C25H21ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h4-9,12,17,33H,1,10-11H2,2-3H3/t12-,17-/m1/s1" . "COCCNc1ncc(c(c1)C)c1ccc(cc1)c1nc2c(CO)cccc2c(=O)[nH]1" . "COCCNc1ncc(c(c1)C)c1ccc(cc1)c1nc2c(CO)cccc2c(=O)[nH]1" . "PLGIKHVPQHSSON-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O3/c1-15-12-21(25-10-11-31-2)26-13-20(15)16-6-8-17(9-7-16)23-27-22-18(14-29)4-3-5-19(22)24(30)28-23/h3-9,12-13,29H,10-11,14H2,1-2H3,(H,25,26)(H,27,28,30)" . "CNC(Cc1ccccc1)(C)C" . "CNC(Cc1ccccc1)(C)C" . "RXQCGGRTAILOIN-UHFFFAOYSA-N" . "InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3" . "COc1ccc(cc1)C(=O)C1CCN(CC1)CC(=O)N(Cc1nc2CCOCc2c(=O)[nH]1)CC1CC1" . "COc1ccc(cc1)C(=O)C1CCN(CC1)CC(=O)N(Cc1nc2CCOCc2c(=O)[nH]1)CC1CC1" . "DYGBNAYFDZEYBA-UHFFFAOYSA-N" . "InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)" . "OCCN1CC2(c3c1cc(F)cc3F)CCN(CC2)c1nc2CCCCc2c(=O)[nH]1" . "OCCN1CC2(c3c1cc(F)cc3F)CCN(CC2)c1nc2CCCCc2c(=O)[nH]1" . "FZQYCOUBRJEYBC-UHFFFAOYSA-N" . "InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30)" . "CCOc1nc2c(s1)c(Cl)c(cc2)Oc1ccc(cn1)/C=C/[C@@H](NC(=O)C)C" . "CCOc1nc2c(s1)c(Cl)c(cc2)Oc1ccc(cn1)/C=C/[C@@H](NC(=O)C)C" . "CYSWUSAYJNCAKA-FYJFLYSWSA-N" . "InChI=1S/C20H20ClN3O3S/c1-4-26-20-24-15-8-9-16(18(21)19(15)28-20)27-17-10-7-14(11-22-17)6-5-12(2)23-13(3)25/h5-12H,4H2,1-3H3,(H,23,25)/b6-5+/t12-/m0/s1" . "COC(=O)N[C@H](C#Cc1cnc(s1)Oc1ccc(cc1)OC(C)C)C" . "COC(=O)N[C@H](C#Cc1cnc(s1)Oc1ccc(cc1)OC(C)C)C" . "OLMPAYQFDVALIH-ZDUSSCGKSA-N" . "InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1" . "OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C" . "OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C" . "NJYJBYPNDWNZAH-UHFFFAOYSA-N" . "InChI=1S/C22H19FO4/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-26-18-9-10-21(20(23)12-18)27-14-22(24)25/h2-12H,13-14H2,1H3,(H,24,25)" . "COc1ccc(c(c1)CNc1cccnc1)Br" . "COc1ccc(c(c1)CNc1cccnc1)Br" . "BLNNXJOEJRKHAM-UHFFFAOYSA-N" . "InChI=1S/C13H13BrN2O/c1-17-12-4-5-13(14)10(7-12)8-16-11-3-2-6-15-9-11/h2-7,9,16H,8H2,1H3" . "Clc1ccc(c(c1)Br)CNc1cccc(c1)c1nnc[nH]1" . "Clc1ccc(c(c1)Br)CNc1cccc(c1)c1nnc[nH]1" . "QPTCYEYTAWEZNT-UHFFFAOYSA-N" . "InChI=1S/C15H12BrClN4/c16-14-7-12(17)5-4-11(14)8-18-13-3-1-2-10(6-13)15-19-9-20-21-15/h1-7,9,18H,8H2,(H,19,20,21)" . "CC(c1ccc(cc1)CNc1cccc(c1)c1[nH]cnn1)C" . "CC(c1ccc(cc1)CNc1cccc(c1)c1[nH]cnn1)C" . "GXZIJEFRHJOZBW-UHFFFAOYSA-N" . "InChI=1S/C18H20N4/c1-13(2)15-8-6-14(7-9-15)11-19-17-5-3-4-16(10-17)18-20-12-21-22-18/h3-10,12-13,19H,11H2,1-2H3,(H,20,21,22)" . "O=C(c1nc2c(s1)cc(cc2)c1ccccc1)c1nnc(o1)CNS(=O)(=O)N" . "O=C(c1nc2c(s1)cc(cc2)c1ccccc1)c1nnc(o1)CNS(=O)(=O)N" . "LXSODRTWQNWTOG-UHFFFAOYSA-N" . "InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)" . "Clc1cccc(n1)c1nc(nc(n1)N[C@@H](C(F)(F)F)C)N[C@@H](C(F)(F)F)C" . "Clc1cccc(n1)c1nc(nc(n1)N[C@@H](C(F)(F)F)C)N[C@@H](C(F)(F)F)C" . "QCZAWDGAVJMPTA-RNFRBKRXSA-N" . "InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1" . "OCCn1cnc(c1c1ccc2n(n1)c(C#N)cn2)c1ccc(c(c1)Cl)F" . "OCCn1cnc(c1c1ccc2n(n1)c(C#N)cn2)c1ccc(c(c1)Cl)F" . "VZZBCNXVZFAIQX-UHFFFAOYSA-N" . "InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2" . "Fc1ccc(cc1)n1ccc2c1ccc(c2)C(=O)N1CC(C1)N1CCN(CC1)C(=O)c1nccs1" . "Fc1ccc(cc1)n1ccc2c1ccc(c2)C(=O)N1CC(C1)N1CCN(CC1)C(=O)c1nccs1" . "IVOACCSOISMVBL-UHFFFAOYSA-N" . "InChI=1S/C26H24FN5O2S/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24/h1-9,14-15,22H,10-13,16-17H2" . "CCOC(=O)C1(CCN(CC1)C)c1ccccc1" . "CCOC(=O)C1(CCN(CC1)C)c1ccccc1" . "XADCESSVHJOZHK-UHFFFAOYSA-N" . "InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3" . "Clc1ccc2c(c1)c1n(C)nc(c1CO2)C(=O)N(Cc1ccc(cc1)C(=O)O)Cc1ccccc1" . "Clc1ccc2c(c1)c1n(C)nc(c1CO2)C(=O)N(Cc1ccc(cc1)C(=O)O)Cc1ccccc1" . "JYTIXGYXBIBOMN-UHFFFAOYSA-N" . "InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc3c(c2)OCCO3)CC)[C@@H]([C@H]([C@@H]1O)O)O" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc3c(c2)OCCO3)CC)[C@@H]([C@H]([C@@H]1O)O)O" . "XFJAMQQAAMJFGB-ZQGJOIPISA-N" . "InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1" . "O=C([C@H]1CCC(=O)N1C1CCN(CC1)Cc1ccc(c(c1)C)Cl)Nc1nc(C)cc(c1)C(=O)N(C)C" . "O=C([C@H]1CCC(=O)N1C1CCN(CC1)Cc1ccc(c(c1)C)Cl)Nc1nc(C)cc(c1)C(=O)N(C)C" . "DWKNOLCXIFYNFV-HSZRJFAPSA-N" . "InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1" . "CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C" . "CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C" . "MGVRNMUKTZOQOW-UHFFFAOYSA-N" . "InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3" . "COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC)O" . "COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC)O" . "RQHILGKAOIGUHU-XPLSERNMSA-N" . "InChI=1S/C31H49NO10/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2/h4-5,25-26,29,33H,6-22H2,1-3H3/t25-,26+,29-,30-,31+/m0/s1" . "O=C1CC[C@@]2([C@@]3(C1)CCN([C@@H]2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O" . "O=C1CC[C@@]2([C@@]3(C1)CCN([C@@H]2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O" . "RYIDHLJADOKWFM-MAODMQOUSA-N" . "InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1" . "CN(CC1C(=O)O[C@H]2[C@H]1CC/C(=C/CC[C@@]1([C@H]2O1)C)/C(=O)OCCOCCOC(=O)/C/1=C/CC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)[C@H](CN(C)C)C(=O)O2)C" . "CN(CC1C(=O)O[C@H]2[C@H]1CC/C(=C/CC[C@@]1([C@H]2O1)C)/C(=O)OCCOCCOC(=O)/C/1=C/CC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)[C@H](CN(C)C)C(=O)O2)C" . "ZNXWRMSQZDHKCM-SBRQVZBJSA-N" . "InChI=1S/C38H56N2O11/c1-37-15-7-9-23(11-13-25-27(21-39(3)4)35(43)48-29(25)31(37)50-37)33(41)46-19-17-45-18-20-47-34(42)24-10-8-16-38(2)32(51-38)30-26(14-12-24)28(22-40(5)6)36(44)49-30/h9-10,25-32H,7-8,11-22H2,1-6H3/b23-9+,24-10+/t25-,26-,27-,28?,29-,30-,31-,32-,37+,38+/m0/s1" . "C[C@@H]1COCCN1c1nc(nc2c1nc(s2)c1n[nH]cc1)N1CCOC[C@@H]1C" . "C[C@@H]1COCCN1c1nc(nc2c1nc(s2)c1n[nH]cc1)N1CCOC[C@@H]1C" . "ZJXHODMMACVLQQ-NEPJUHHUSA-N" . "InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1" . "CCOC(=O)C1=CCN(C1c1ccccc1)S(=O)(=O)c1ccc(cc1)C" . "CCOC(=O)C1=CCN(C1c1ccccc1)S(=O)(=O)c1ccc(cc1)C" . "QMRVCOQYPZTTAJ-UHFFFAOYSA-N" . "InChI=1S/C20H21NO4S/c1-3-25-20(22)18-13-14-21(19(18)16-7-5-4-6-8-16)26(23,24)17-11-9-15(2)10-12-17/h4-13,19H,3,14H2,1-2H3" . "Nc1nc(cc(n1)N1CCC2(CC1)CN[C@@H](C2)C(=O)O)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl" . "Nc1nc(cc(n1)N1CCC2(CC1)CN[C@@H](C2)C(=O)O)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl" . "ZNSPHKJFQDEABI-NZQKXSOJSA-N" . "InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1-7,12-13,20,23,33H,8-11,14-15H2,(H,37,38)(H2,32,34,35)/t20-,23+/m0/s1" . "CCOC(=O)[C@H]1NCC2(C1)CCN(CC2)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl" . "CCOC(=O)[C@H]1NCC2(C1)CCN(CC2)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl" . "TZSZZENYCISATO-WIOPSUGQSA-N" . "InChI=1S/C29H31ClF3N5O3/c1-2-40-26(39)22-16-28(17-35-22)10-12-38(13-11-28)23-15-24(37-27(34)36-23)41-25(29(31,32)33)20-9-8-19(30)14-21(20)18-6-4-3-5-7-18/h3-9,14-15,22,25,35H,2,10-13,16-17H2,1H3,(H2,34,36,37)/t22-,25+/m0/s1" . "OC(=O)c1ccnc(c1)N1CC(C1)(O)c1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1" . "OC(=O)c1ccnc(c1)N1CC(C1)(O)c1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1" . "KZSKGLFYQAYZCO-UHFFFAOYSA-N" . "InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)" . "C=Cc1cn(c(=O)nc1N)C1OC(C(C1OC(=O)C)OC(=O)C)C" . "C=Cc1cn(c(=O)nc1N)[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)C" . "NELWQUQCCZMRPB-UBPLGANQSA-N" . "InChI=1S/C15H19N3O6/c1-5-10-6-18(15(21)17-13(10)16)14-12(24-9(4)20)11(7(2)22-14)23-8(3)19/h5-7,11-12,14H,1H2,2-4H3,(H2,16,17,21)/t7-,11-,12-,14-/m1/s1" . "N#CCCS(=O)(=O)C" . "N#CCCS(=O)(=O)C" . "LQFRYKBDZNPJSW-UHFFFAOYSA-N" . "InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3" . "OC(=O)[C@@H]1CCN(C[C@H]1O)c1nn(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C1CC1" . "OC(=O)[C@@H]1CCN(C[C@H]1O)c1nn(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C1CC1" . "IBIKHMZPHNKTHM-RDTXWAMCSA-N" . "InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1" . "OC(=O)c1ccc(cc1)c1nn(c2c1cccc2)C(=O)c1c(Cl)cccc1C(F)(F)F" . "OC(=O)c1ccc(cc1)c1nn(c2c1cccc2)C(=O)c1c(Cl)cccc1C(F)(F)F" . "DANLZOIRUUHIIX-UHFFFAOYSA-N" . "InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)" . "NC(=N)N1CCC[C@H]1c1onc(n1)c1ccc(c(c1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F" . "NC(=N)N1CCC[C@H]1c1onc(n1)c1ccc(c(c1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F" . "QOYVZPSXPWIXAV-INIZCTEOSA-N" . "InChI=1S/C22H19F6N5O2/c23-21(24,25)14-6-3-12(4-7-14)11-34-17-8-5-13(10-15(17)22(26,27)28)18-31-19(35-32-18)16-2-1-9-33(16)20(29)30/h3-8,10,16H,1-2,9,11H2,(H3,29,30)/t16-/m0/s1" . "ONC(=O)c1onc(c1)OCc1ccc(cc1)c1ccc(cc1)Cl" . "ONC(=O)c1onc(c1)OCc1ccc(cc1)c1ccc(cc1)Cl" . "XZENCCSBEQTERZ-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN2O4/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-23-16-9-15(24-20-16)17(21)19-22/h1-9,22H,10H2,(H,19,21)" . "CCCCCCCCCCOc1cc(ccc1OC)C(=O)NO" . "CCCCCCCCCCOc1cc(ccc1OC)C(=O)NO" . "QKPYTKNEFFAFOV-UHFFFAOYSA-N" . "InChI=1S/C18H29NO4/c1-3-4-5-6-7-8-9-10-13-23-17-14-15(18(20)19-21)11-12-16(17)22-2/h11-12,14,21H,3-10,13H2,1-2H3,(H,19,20)" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)[nH]c(=O)o3)C)cc(c1F)C" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)[nH]c(=O)o3)C)cc(c1F)C" . "OYFMQDVLFYKOPZ-UHFFFAOYSA-N" . "InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)n(COP(=O)(O)O)c(=O)o3)C)cc(c1F)C" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)n(COP(=O)(O)O)c(=O)o3)C)cc(c1F)C" . "JTUBTEKGIDQZMZ-UHFFFAOYSA-N" . "InChI=1S/C21H21FN5O7P/c1-11-6-14(8-17(32-3)18(11)22)25-20-23-9-12(2)19(26-20)24-13-4-5-16-15(7-13)27(21(28)34-16)10-33-35(29,30)31/h4-9H,10H2,1-3H3,(H2,29,30,31)(H2,23,24,25,26)" . "COc1cc2ncnc(c2cc1OCCCCCOCCOCCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCCCCOCCOCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F" . "NICKHWYZMNLEPJ-TZSMONEZSA-N" . "InChI=1S/C47H57ClFN7O8S/c1-29-42(65-28-53-29)31-11-9-30(10-12-31)25-50-45(59)38-22-33(57)26-56(38)46(60)43(47(2,3)4)55-41(58)15-18-63-20-19-62-16-7-6-8-17-64-40-23-34-37(24-39(40)61-5)51-27-52-44(34)54-32-13-14-36(49)35(48)21-32/h9-14,21,23-24,27-28,33,38,43,57H,6-8,15-20,22,25-26H2,1-5H3,(H,50,59)(H,55,58)(H,51,52,54)/t33-,38+,43-/m1/s1" . "COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)CCC(=O)NCCCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)CCC(=O)NCCCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)Nc1ccc(c(c1)Cl)F" . "ALKKWBPMCDDKKA-UHFFFAOYSA-N" . "InChI=1S/C46H54ClFN8O8/c1-62-38-28-35-32(43(51-29-50-35)52-30-12-13-34(48)33(47)26-30)27-39(38)64-25-9-18-54-20-22-55(23-21-54)19-16-40(57)49-17-6-4-2-3-5-7-24-63-37-11-8-10-31-42(37)46(61)56(45(31)60)36-14-15-41(58)53-44(36)59/h8,10-13,26-29,36H,2-7,9,14-25H2,1H3,(H,49,57)(H,50,51,52)(H,53,58,59)" . "COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)C(=O)CCCCCCCCCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)C(=O)CCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F" . "HLFLODKZIGYHNR-LTEFSYCBSA-N" . "InChI=1S/C55H71ClFN9O7S/c1-36-50(74-35-61-36)38-18-16-37(17-19-38)32-58-53(70)45-29-40(67)33-66(45)54(71)51(55(2,3)4)63-48(68)14-11-9-7-6-8-10-12-15-49(69)65-25-23-64(24-26-65)22-13-27-73-47-30-41-44(31-46(47)72-5)59-34-60-52(41)62-39-20-21-43(57)42(56)28-39/h16-21,28,30-31,34-35,40,45,51,67H,6-15,22-27,29,32-33H2,1-5H3,(H,58,70)(H,63,68)(H,59,60,62)/t40-,45+,51-/m1/s1" . "COc1ncc(cc1NS(=O)(=O)C)c1cc(c2ncc(o2)CN2CC(C)OC(C2)C)c2c(c1)[nH]nc2" . "COc1ncc(cc1NS(=O)(=O)C)c1cc(c2ncc(o2)CN2C[C@H](C)O[C@@H](C2)C)c2c(c1)[nH]nc2" . "NLUPPCTVKHDVIQ-GASCZTMLSA-N" . "InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+" . "COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(n1)Nc1cccnc1c1ccccn1" . "COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(n1)Nc1cccnc1c1ccccn1" . "XSQKEVGTZSBVBR-UHFFFAOYSA-N" . "InChI=1S/C26H28N8O/c1-33-14-16-34(17-15-33)22-9-8-19(18-23(22)35-2)30-26-29-13-10-24(32-26)31-21-7-5-12-28-25(21)20-6-3-4-11-27-20/h3-13,18H,14-17H2,1-2H3,(H2,29,30,31,32)" . "O=c1[nH]c(=O)n(cc1F)C1CCCO1" . "O=c1[nH]c(=O)n(cc1F)C1CCCO1" . "WFWLQNSHRPWKFK-UHFFFAOYSA-N" . "InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)" . "C=CC(=O)N1CCC(CC1)c1ccc(c(n1)c1ccc(cc1)Oc1ccccc1)C(=O)N" . "C=CC(=O)N1CCC(CC1)c1ccc(c(n1)c1ccc(cc1)Oc1ccccc1)C(=O)N" . "MZPVEMOYADUARK-UHFFFAOYSA-N" . "InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1OCCN(C)C)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1OCCN(C)C)OC" . "BPMZUKYFIDPLEA-UHFFFAOYSA-N" . "InChI=1S/C27H30N6O3/c1-6-26(34)29-22-15-21(24(35-5)16-25(22)36-14-13-32(2)3)31-27-28-12-11-20(30-27)19-17-33(4)23-10-8-7-9-18(19)23/h6-12,15-17H,1,13-14H2,2-5H3,(H,29,34)(H,28,30,31)" . "CCCCCCCCCCCCCCCC=O" . "CCCCCCCCCCCCCCCC=O" . "NIOYUNMRJMEDGI-UHFFFAOYSA-N" . "InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3" . "CN1CCC(CC1)c1ccccc1CC(Nc1nc(nc(n1)n1c(nc2c1cccc2)C(F)F)N1CCOCC1)(C)C" . "CN1CCC(CC1)c1ccccc1CC(Nc1nc(nc(n1)n1c(nc2c1cccc2)C(F)F)N1CCOCC1)(C)C" . "WPFUFWIHMYZXSF-UHFFFAOYSA-N" . "InChI=1S/C31H38F2N8O/c1-31(2,20-22-8-4-5-9-23(22)21-12-14-39(3)15-13-21)38-28-35-29(40-16-18-42-19-17-40)37-30(36-28)41-25-11-7-6-10-24(25)34-27(41)26(32)33/h4-11,21,26H,12-20H2,1-3H3,(H,35,36,37,38)" . "CC1CN(CC(C1O)N)c1c(cnc2c1CCC2O)NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "C[C@@H]1CN(C[C@@H]([C@H]1O)N)c1c(cnc2c1CC[C@@H]2O)NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "PTORCEYGCGXHDH-SGQXWQAPSA-N" . "InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m1/s1" . "C=CC(=O)N1CCCC(C1)n1c(=O)n(c2c1ccnc2N)c1ccc(cc1)Oc1ccccc1" . "C=CC(=O)N1CCC[C@H](C1)n1c(=O)n(c2c1ccnc2N)c1ccc(cc1)Oc1ccccc1" . "KOEUOFPEZFUWRF-LJQANCHMSA-N" . "InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1" . "O=CN1C(C)CCc2c1cc(Br)c(c2Br)F" . "O=CN1C(C)CCc2c1cc(Br)c(c2Br)F" . "ZZLQPWXVZCPUGC-UHFFFAOYSA-N" . "InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3" . "OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N" . "OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N" . "SMPNJFHAPJOHPP-UHFFFAOYSA-N" . "InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)" . "NCCNC[C@H](CCCN=C(N[N+](=O)[O-])N)N" . "NCCNC[C@H](CCCN=C(N[N+](=O)[O-])N)N" . "RMSWBHUVFNFNIZ-ZETCQYMHSA-N" . "InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1" . "OC(=O)c1ccc(cc1)C1=[N+]([O-])C(C(N1[O])(C)C)(C)C" . "OC(=O)c1ccc(cc1)C1=[N+]([O-])C(C(N1[O])(C)C)(C)C" . "KWNDLWPKCDMGTN-UHFFFAOYSA-N" . "InChI=1S/C14H17N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8H,1-4H3,(H,17,18)" . "O[C@@H]1[C@@H]2OP(=S)([O-])OC[C@H]2O[C@H]1n1c(Br)nc2c1[nH]c(N)nc2=O" . "O[C@@H]1[C@@H]2OP(=S)([O-])OC[C@H]2O[C@H]1n1c(Br)nc2c1[nH]c(N)nc2=O" . "KRYIOQOBMVFLBO-CIZWMVDRSA-M" . "InChI=1S/C10H11BrN5O6PS/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5/h2,4-5,8,17H,1H2,(H,19,24)(H3,12,14,15,18)/p-1/t2-,4-,5-,8-,23?/m1/s1" . "CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)C)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)CCCNC(=N)N" . "CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)C)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)CCCNC(=N)N" . "GQPQKQWUUHDDIS-JDLJUXOTSA-N" . "InChI=1S/C53H100N20O12/c1-6-8-9-10-11-12-13-14-15-16-17-24-39(76)65-29-40(77)69-35(22-19-26-63-52(58)59)48(83)73-43(33(5)74)50(85)66-30-41(78)68-34(21-18-25-62-51(56)57)46(81)70-36(23-20-27-64-53(60)61)47(82)71-37(28-38(54)75)49(84)67-32(4)45(80)72-42(44(55)79)31(3)7-2/h31-37,42-43,74H,6-30H2,1-5H3,(H2,54,75)(H2,55,79)(H,65,76)(H,66,85)(H,67,84)(H,68,78)(H,69,77)(H,70,81)(H,71,82)(H,72,80)(H,73,83)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t31-,32-,33+,34-,35-,36-,37-,42-,43-/m0/s1" . "COc1ccc(cc1)C=Cc1cccc(c1)NC(=O)Nc1ccc(cc1)Cl" . "COc1ccc(cc1)/C=C/c1cccc(c1)NC(=O)Nc1ccc(cc1)Cl" . "VGWVPSZVSVONQT-AATRIKPKSA-N" . "InChI=1S/C22H19ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H2,24,25,26)/b6-5+" . "COc1cc(ccc1OC)c1cncc(n1)NC(c1cccc(c1)NC(=O)c1cncc(c1)C)C" . "COc1cc(ccc1OC)c1cncc(n1)N[C@H](c1cccc(c1)NC(=O)c1cncc(c1)C)C" . "JHJNPOSPVGRIAN-SFHVURJKSA-N" . "InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1" . "CN(CCC(c1ccccn1)c1ccc(cc1)Br)C" . "CN(CCC(c1ccccn1)c1ccc(cc1)Br)C" . "ZDIGNSYAACHWNL-UHFFFAOYSA-N" . "InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3" . "O=C(C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C)(C)C)Nc1ccc(c(c1)Cl)F" . "O=C(C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C)(C)C)Nc1ccc(c(c1)Cl)F" . "DUBVSWHYPDKVEA-UHFFFAOYSA-N" . "InChI=1S/C21H25ClFN3O4S/c1-14-4-5-16(13-19(14)31(28,29)26-8-10-30-11-9-26)25-21(2,3)20(27)24-15-6-7-18(23)17(22)12-15/h4-7,12-13,25H,8-11H2,1-3H3,(H,24,27)" . "NC(=NOCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@H](CC(=O)NCCc1ccccc1)O)CC(C)C)C(C)C)NC(=O)OCc1ccccc1)N" . "NC(=NOCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@H](CC(=O)NCCc1ccccc1)O)CC(C)C)C(C)C)NC(=O)OCc1ccccc1)N" . "VAHRPHLZONNTFF-NUISNXNRSA-N" . "InChI=1S/C34H51N7O7/c1-22(2)19-27(28(42)20-29(43)37-17-15-24-11-7-5-8-12-24)38-32(45)30(23(3)4)40-31(44)26(16-18-48-41-33(35)36)39-34(46)47-21-25-13-9-6-10-14-25/h5-14,22-23,26-28,30,42H,15-21H2,1-4H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H4,35,36,41)/t26-,27-,28-,30-/m0/s1" . "COc1cc2oc(cc(=O)c2c(c1O)OC)c1ccccc1" . "COc1cc2oc(cc(=O)c2c(c1O)OC)c1ccccc1" . "YLSUKCVZCXUJBF-UHFFFAOYSA-N" . "InChI=1S/C17H14O5/c1-20-14-9-13-15(17(21-2)16(14)19)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-9,19H,1-2H3" . "CN1Cc2cc(Cl)ccc2n2c(C1)nnc2C1CCC(CC1)Oc1ccccn1" . "CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1" . "GMPZPHGHNDMRKL-RZDIXWSQSA-N" . "InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3/t15-,18-" . "Clc1ccc(cc1)c1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)cccc2" . "Clc1ccc(cc1)c1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)cccc2" . "VKLMWXASUNVKHV-UHFFFAOYSA-N" . "InChI=1S/C26H18ClN3O/c27-19-12-10-18(11-13-19)25-29-24-9-5-4-8-23(24)26(30-25)28-20-14-16-22(17-15-20)31-21-6-2-1-3-7-21/h1-17H,(H,28,29,30)" . "Clc1ccc2c(c1)cc(c(n2)C(O)(C)C)N" . "Clc1ccc2c(c1)cc(c(n2)C(O)(C)C)N" . "GUHFUVLKYSQIOQ-UHFFFAOYSA-N" . "InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3" . "CC(C(=O)c1c[nH]c2c1cccc2)Sc1n[nH]c(n1)c1c(Cl)cncc1Cl" . "CC(C(=O)c1c[nH]c2c1cccc2)Sc1n[nH]c(n1)c1c(Cl)cncc1Cl" . "BAABPIIOLPSIKR-UHFFFAOYSA-N" . "InChI=1S/C18H13Cl2N5OS/c1-9(16(26)11-6-22-14-5-3-2-4-10(11)14)27-18-23-17(24-25-18)15-12(19)7-21-8-13(15)20/h2-9,22H,1H3,(H,23,24,25)" . "OCC([C@H](C(=O)N/C=C/C(=O)O)O)(C)C" . "OCC([C@H](C(=O)N/C=C/C(=O)O)O)(C)C" . "HWKKTJQAKVPKTK-SDLBARTOSA-N" . "InChI=1S/C9H15NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h3-4,7,11,14H,5H2,1-2H3,(H,10,15)(H,12,13)/b4-3+/t7-/m0/s1" . "CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O" . "CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O" . "LVWZTYCIRDMTEY-UHFFFAOYSA-N" . "InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)" . "O=C(CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C)NCCOCCOCCOCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NC(c1ccc(cc1)c1scnc1C)C)O" . "O=C(CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O" . "RQBUNBWHIATPNI-WQWWALRQSA-N" . "InChI=1S/C53H66FIN8O11S2/c1-32-26-43(49(62(7)51(32)68)59-42-18-15-38(55)27-41(42)54)61-76(70,71)40-16-8-35(9-17-40)10-19-45(65)56-20-21-72-22-23-73-24-25-74-30-46(66)60-48(53(4,5)6)52(69)63-29-39(64)28-44(63)50(67)58-33(2)36-11-13-37(14-12-36)47-34(3)57-31-75-47/h8-9,11-18,26-27,31,33,39,44,48,59,61,64H,10,19-25,28-30H2,1-7H3,(H,56,65)(H,58,67)(H,60,66)/t33-,39+,44-,48+/m0/s1" . "O=C(c1c(Cc2c(C)[nH]nc2C(F)(F)F)sc2c1c(=O)n(c(=O)n2C(C)C)C)N1OCC(C1)(C)O" . "O=C(c1c(Cc2c(C)[nH]nc2C(F)(F)F)sc2c1c(=O)n(c(=O)n2C(C)C)C)N1OC[C@@](C1)(C)O" . "PRNXOFBDXNTIFG-FQEVSTJZSA-N" . "InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m0/s1" . "ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NCc1ccccc1" . "ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NCc1ccccc1" . "REDUQXCPUSNJOL-UHFFFAOYSA-N" . "InChI=1S/C27H29N3O4/c1-19(2)22-12-14-24(15-13-22)27(33)30(17-21-8-10-23(11-9-21)26(32)29-34)18-25(31)28-16-20-6-4-3-5-7-20/h3-15,19,34H,16-18H2,1-2H3,(H,28,31)(H,29,32)" . "Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C" . "Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C" . "NZOAMVGASFFEJH-UHFFFAOYSA-N" . "InChI=1S/C23H24N6O/c1-14-10-15(2)27-21(11-14)29-23-25-12-17(13-26-23)22(30)24-9-8-18-16(3)28-20-7-5-4-6-19(18)20/h4-7,10-13,28H,8-9H2,1-3H3,(H,24,30)(H,25,26,27,29)" . "CN(CCn1ncc(c1)c1ccc2c(c1)C(=O)Nc1cccc(n1)c1n(CCCCO2)cnn1)C" . "CN(CCn1ncc(c1)c1ccc2c(c1)C(=O)Nc1cccc(n1)c1n(CCCCO2)cnn1)C" . "JGKCBXMHIQSQHJ-UHFFFAOYSA-N" . "InChI=1S/C25H28N8O2/c1-31(2)11-12-33-16-19(15-27-33)18-8-9-22-20(14-18)25(34)29-23-7-5-6-21(28-23)24-30-26-17-32(24)10-3-4-13-35-22/h5-9,14-17H,3-4,10-13H2,1-2H3,(H,28,29,34)" . "O=C(Nc1cc(nn1C1CCCCC1)C)Cc1ccc(c(c1)Cl)F" . "O=C(Nc1cc(nn1C1CCCCC1)C)Cc1ccc(c(c1)Cl)F" . "HNJJARDABGKWSO-UHFFFAOYSA-N" . "InChI=1S/C18H21ClFN3O/c1-12-9-17(23(22-12)14-5-3-2-4-6-14)21-18(24)11-13-7-8-16(20)15(19)10-13/h7-10,14H,2-6,11H2,1H3,(H,21,24)" . "Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C" . "Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C" . "XISVSTPEXYIKJL-UHFFFAOYSA-N" . "InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)" . "CCCCCc1cc(O)c(c(c1C(=O)O)O)C1C=C(C)CCC1C(=C)C" . "CCCCCc1cc(O)c(c(c1C(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C" . "WVOLTBSCXRRQFR-DLBZAZTESA-N" . "InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1" . "CCCCCc1cc(O)c(c(c1CC(=O)O)O)C1C=C(C)CCC1C(=C)C" . "CCCCCc1cc(O)c(c(c1CC(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C" . "BOYRUNMTTPSTKZ-PKOBYXMFSA-N" . "InChI=1S/C23H32O4/c1-5-6-7-8-16-12-20(24)22(23(27)18(16)13-21(25)26)19-11-15(4)9-10-17(19)14(2)3/h11-12,17,19,24,27H,2,5-10,13H2,1,3-4H3,(H,25,26)/t17-,19+/m0/s1" . "COCCS(=O)(=O)Nc1cc(cnc1OC)c1cc(OCC2OCCN(C2)C2COC2)c2c(c1)COC2" . "COCCS(=O)(=O)Nc1cc(cnc1OC)c1cc(OC[C@@H]2OCCN(C2)C2COC2)c2c(c1)COC2" . "ZWPJBXLFZFLGMV-OAQYLSRUSA-N" . "InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1" . "O=C(N1CCN(CC1)C(c1ccnc(c1)Nc1nc2c([nH]1)cc(cc2)c1ncnc(c1)N(C)C)C)CC(F)(F)F" . "O=C(N1CCN(CC1)[C@@H](c1ccnc(c1)Nc1nc2c([nH]1)cc(cc2)c1ncnc(c1)N(C)C)C)CC(F)(F)F" . "HZRJHVDNTDBTOZ-QGZVFWFLSA-N" . "InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1" . "Clc1ccc(cc1)NC(=O)c1ccc(c(c1)C#Cc1cc(cnc1N)c1cnn(c1)C)C" . "Clc1ccc(cc1)NC(=O)c1ccc(c(c1)C#Cc1cc(cnc1N)c1cnn(c1)C)C" . "JZKQBPWOWAPASE-UHFFFAOYSA-N" . "InChI=1S/C25H20ClN5O/c1-16-3-4-19(25(32)30-23-9-7-22(26)8-10-23)11-17(16)5-6-18-12-20(13-28-24(18)27)21-14-29-31(2)15-21/h3-4,7-15H,1-2H3,(H2,27,28)(H,30,32)" . "O=C(c1sc(cc1C)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)NC(C(=O)O)CCCNC(=N)N" . "O=C(c1sc(cc1C)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)N[C@H](C(=O)O)CCCNC(=N)N" . "OHRIKWUZKGNQKQ-IBGZPJMESA-N" . "InChI=1S/C25H26Cl2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1" . "C=CCN1CCCCC(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)N(CC#CC1)NC(=O)C(N)C)Cc1c[nH]c2c1cccc2)C)Cc1c[nH]c2c1cccc2)C(=O)N" . "C=CCN1CCCC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)N(CC#CC1)NC(=O)[C@@H](N)C)Cc1c[nH]c2c1cccc2)C)Cc1c[nH]c2c1cccc2)C(=O)N" . "OBMZMSLWNNWEJA-XNCRXQDQSA-N" . "InChI=1S/C51H62N12O7/c1-4-23-62-24-13-12-22-41(45(53)64)57-49(68)42(27-34-16-6-5-7-17-34)59-50(69)43(28-35-30-54-39-20-10-8-18-37(35)39)58-47(66)33(3)56-48(67)44(29-36-31-55-40-21-11-9-19-38(36)40)60-51(70)63(26-15-14-25-62)61-46(65)32(2)52/h4-11,16-21,30-33,41-44,54-55H,1,12-13,22-29,52H2,2-3H3,(H2,53,64)(H,56,67)(H,57,68)(H,58,66)(H,59,69)(H,60,70)(H,61,65)/t32-,33-,41-,42+,43-,44+/m0/s1" . "O=C(NCc1cc2c(o1)c(cc(c2)c1ccc(cc1)C(=O)N1CCC(CC1)(F)F)c1ccc(cc1)F)C=Cc1ccc(nc1)N" . "O=C(NCc1cc2c(o1)c(cc(c2)c1ccc(cc1)C(=O)N1CCC(CC1)(F)F)c1ccc(cc1)F)/C=C/c1ccc(nc1)N" . "MRFOPLWJZULAQD-SWGQDTFXSA-N" . "InChI=1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+" . "N#Cc1nccc(c1)c1n[nH]c(n1)c1ccncc1" . "N#Cc1nccc(c1)c1n[nH]c(n1)c1ccncc1" . "UBVZQGOVTLIHLH-UHFFFAOYSA-N" . "InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)" . "NCCCCC(C(=O)N)NC(=O)C(NS(=O)(=O)N(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]cn1)N)C)CC1CCC(CC1)F)Cc1ccccc1" . "NCCCC[C@@H](C(=O)N)NC(=O)[C@H](NS(=O)(=O)N(NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]cn1)N)C)CC1CCC(CC1)F)Cc1ccccc1" . "WYIBLRVRRGCPGV-FQYZGFJBSA-N" . "InChI=1S/C42H59FN12O7S/c1-26(50-41(59)36(20-29-22-48-34-12-6-5-11-32(29)34)52-40(58)33(45)21-31-23-47-25-49-31)39(57)53-55(24-28-14-16-30(43)17-15-28)63(61,62)54-37(19-27-9-3-2-4-10-27)42(60)51-35(38(46)56)13-7-8-18-44/h2-6,9-12,22-23,25-26,28,30,33,35-37,48,54H,7-8,13-21,24,44-45H2,1H3,(H2,46,56)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,57)/t26-,28?,30?,33-,35-,36+,37+/m0/s1" . "CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C" . "CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C" . "MVMQESMQSYOVGV-OAHLLOKOSA-N" . "InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m1/s1" . "COC(c1cc(Cl)c2c(c1Cl)C(=O)N(CC2)Cc1c(OC)cc([nH]c1=O)C)C1COC1" . "CO[C@@H](c1cc(Cl)c2c(c1Cl)C(=O)N(CC2)Cc1c(OC)cc([nH]c1=O)C)C1COC1" . "RXCVUHMIWHRLDF-HXUWFJFHSA-N" . "InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1" . "OCC(Nc1ccc(c(n1)c1cc(OC)c(c(c1)OC)OC)C(=O)NCCOc1ccccc1)Cc1ccccc1" . "OC[C@@H](Nc1ccc(c(n1)c1cc(OC)c(c(c1)OC)OC)C(=O)NCCOc1ccccc1)Cc1ccccc1" . "FCBOUJYKAGWYQM-DEOSSOPVSA-N" . "InChI=1S/C32H35N3O6/c1-38-27-19-23(20-28(39-2)31(27)40-3)30-26(32(37)33-16-17-41-25-12-8-5-9-13-25)14-15-29(35-30)34-24(21-36)18-22-10-6-4-7-11-22/h4-15,19-20,24,36H,16-18,21H2,1-3H3,(H,33,37)(H,34,35)/t24-/m0/s1" . "BrCC(OC(=O)CCCCCCCCCc1ccccc1)COP(=O)(O)O" . "BrC[C@@H](OC(=O)CCCCCCCCCc1ccccc1)COP(=O)(O)O" . "IHTMTVSBHMPLJC-GOSISDBHSA-N" . "InChI=1S/C19H30BrO6P/c20-15-18(16-25-27(22,23)24)26-19(21)14-10-5-3-1-2-4-7-11-17-12-8-6-9-13-17/h6,8-9,12-13,18H,1-5,7,10-11,14-16H2,(H2,22,23,24)/t18-/m1/s1" . "CCC(n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F" . "CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F" . "SYARXICKXVXWNA-GFCCVEGCSA-N" . "InChI=1S/C17H15F2N3O3S/c1-3-12(9-4-5-10(18)11(19)8-9)22-15(16(23)24-2)14(21-17(22)26)13-6-7-20-25-13/h4-8,12H,3H2,1-2H3,(H,21,26)/t12-/m1/s1" . "Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C" . "Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C" . "KLBHHUODQVCBKX-UHFFFAOYSA-N" . "InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)" . "COc1cc(N)c(cc1C(=O)CCC1CCN(CC1)CC1CCCCC1)Cl" . "COc1cc(N)c(cc1C(=O)CCC1CCN(CC1)CC1CCCCC1)Cl" . "FTRZTHFGTILUPE-UHFFFAOYSA-N" . "InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3" . "O=c1c2ccccc2[se]n1c1ccccc1" . "O=c1c2ccccc2[se]n1c1ccccc1" . "DYEFUKCXAQOFHX-UHFFFAOYSA-N" . "InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H" . "OC(=O)CCCCN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCCc1ccccc1)C(=O)O" . "OC(=O)CCCCN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCCc1ccccc1)C(=O)O" . "HEZMXOWAEONYPI-UHFFFAOYSA-N" . "InChI=1S/C34H39NO7/c36-30(26-17-19-28(20-18-26)41-22-9-2-1-4-11-25-12-5-3-6-13-25)23-27-14-10-15-29-33(27)42-31(34(39)40)24-35(29)21-8-7-16-32(37)38/h3,5-6,10,12-15,17-20,31H,1-2,4,7-9,11,16,21-24H2,(H,37,38)(H,39,40)" . "O=C(CN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCc1ccccc1)C(=O)O)CCCC(=O)O" . "O=C(CN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCc1ccccc1)C(=O)O)CCCC(=O)O" . "MUBSBSWICVQHHN-UHFFFAOYSA-N" . "InChI=1S/C34H37NO8/c36-27(13-8-15-32(38)39)22-35-23-31(34(40)41)43-33-26(12-7-14-29(33)35)21-30(37)25-16-18-28(19-17-25)42-20-6-2-5-11-24-9-3-1-4-10-24/h1,3-4,7,9-10,12,14,16-19,31H,2,5-6,8,11,13,15,20-23H2,(H,38,39)(H,40,41)" . "OC(=O)CCCN1CC(Oc2c1cccc2NC(=O)c1ccc(cc1)OCCCCc1cc(F)ccc1Cl)C(=O)O" . "OC(=O)CCCN1C[C@H](Oc2c1cccc2NC(=O)c1ccc(cc1)OCCCCc1cc(F)ccc1Cl)C(=O)O" . "JCUVQOJHURMRKB-SANMLTNESA-N" . "InChI=1S/C30H30ClFN2O7/c31-23-14-11-21(32)17-20(23)5-1-2-16-40-22-12-9-19(10-13-22)29(37)33-24-6-3-7-25-28(24)41-26(30(38)39)18-34(25)15-4-8-27(35)36/h3,6-7,9-14,17,26H,1-2,4-5,8,15-16,18H2,(H,33,37)(H,35,36)(H,38,39)/t26-/m0/s1" . "N#Cc1ccc(cc1Cl)OC1C(C)(C)C(C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C(=O)CC(c1ccccc1)NC(=O)C1CC(CN1C(=O)C(c1onc(c1)C)C(C)C)O" . "N#Cc1ccc(cc1Cl)O[C@@H]1C(C)(C)[C@H](C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C(=O)C[C@@H](c1ccccc1)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](c1onc(c1)C)C(C)C)O" . "RTNONCBKGZNCJS-LJLQSONVSA-N" . "InChI=1S/C52H59ClN6O7/c1-31(2)45(43-25-32(3)57-66-43)48(64)59-30-38(60)26-42(59)47(63)55-41(35-11-9-8-10-12-35)28-44(61)58-23-21-34(22-24-58)14-13-33-15-17-36(18-16-33)46(62)56-49-51(4,5)50(52(49,6)7)65-39-20-19-37(29-54)40(53)27-39/h8-12,15-20,25,27,31,34,38,41-42,45,49-50,60H,21-24,26,28,30H2,1-7H3,(H,55,63)(H,56,62)/t38-,41+,42+,45-,49-,50-/m1/s1" . "O=C1SC(=Cc2ccc(o2)c2ccc(cc2O)F)C(=O)N1" . "O=C1S/C(=C/c2ccc(o2)c2ccc(cc2O)F)/C(=O)N1" . "OYYVWNDMOQPMGE-SDQBBNPISA-N" . "InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-" . "COc1ncc(cc1COC1C(N(C(C1C(C)(C)C)C(=O)O)C(=O)C1CCCCO1)c1ccccc1C)C(F)(F)F" . "COc1ncc(cc1CO[C@@H]1[C@@H](N([C@@H]([C@H]1C(C)(C)C)C(=O)O)C(=O)[C@@H]1CCCCO1)c1ccccc1C)C(F)(F)F" . "YFEYDNAKCSOOOG-YCXOGWGTSA-N" . "InChI=1S/C30H37F3N2O6/c1-17-10-6-7-11-20(17)23-25(41-16-18-14-19(30(31,32)33)15-34-26(18)39-5)22(29(2,3)4)24(28(37)38)35(23)27(36)21-12-8-9-13-40-21/h6-7,10-11,14-15,21-25H,8-9,12-13,16H2,1-5H3,(H,37,38)/t21-,22+,23-,24-,25-/m0/s1" . "CCC(c1cccc2c1cccc2)NC(=O)C1OC(=O)N(C1)c1ccc(cc1)C(=N)N" . "CC[C@@H](c1cccc2c1cccc2)NC(=O)[C@@H]1OC(=O)N(C1)c1ccc(cc1)C(=N)N" . "CZGQFMWYGXCTGQ-LEWJYISDSA-N" . "InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1" . "O=C(Nc1c(C)nn(c1C)c1ccccc1)COC(=O)Cc1c(C)[nH]c2c1cccc2" . "O=C(Nc1c(C)nn(c1C)c1ccccc1)COC(=O)Cc1c(C)[nH]c2c1cccc2" . "OWHVQGGLXPNNBI-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O3/c1-15-20(19-11-7-8-12-21(19)25-15)13-23(30)31-14-22(29)26-24-16(2)27-28(17(24)3)18-9-5-4-6-10-18/h4-12,25H,13-14H2,1-3H3,(H,26,29)" . "N1CCN(CC1)c1ccc(cn1)c1nn2c3c1cnc(n3)NCc1nnn(c1)Cc1ccc(Cn3cc(C2)nn3)cc1" . "N1CCN(CC1)c1ccc(cn1)c1nn2c3c1cnc(n3)NCc1nnn(c1)Cc1ccc(Cn3cc(C2)nn3)cc1" . "PXBYPIWEYSTETR-UHFFFAOYSA-N" . "InChI=1S/C28H28N14/c1-3-20-4-2-19(1)14-40-16-22(34-37-40)12-31-28-32-13-24-26(21-5-6-25(30-11-21)39-9-7-29-8-10-39)36-42(27(24)33-28)18-23-17-41(15-20)38-35-23/h1-6,11,13,16-17,29H,7-10,12,14-15,18H2,(H,31,32,33)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)Cc1nc[nH]c1)CC(=O)O)C(C)C)CO)C)CO)CC(C)C)CCCN=C(N)N)CC(=O)O)CC(C)C)CO)Cc1ccccc1)CO)Cc1ccccc1)CO)CCCN=C(N)N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1nc[nH]c1)CC(=O)O)C(C)C)CO)C)CO)CC(C)C)CCCN=C(N)N)CC(=O)O)CC(C)C)CO)Cc1ccccc1)CO)Cc1ccccc1)CO)CCCN=C(N)N)N" . "KWLGDIDCTYJFLH-URZJMNTHSA-N" . "InChI=1S/C102H163N33O31/c1-52(2)35-63(90(156)133-72(48-138)95(161)118-55(7)83(149)114-43-77(142)120-71(47-137)97(163)134-81(54(5)6)99(165)130-69(41-80(146)147)94(160)127-67(39-58-42-111-51-117-58)92(158)122-60(82(106)148)26-15-17-31-104)125-87(153)62(28-19-33-113-102(109)110)124-93(159)68(40-79(144)145)128-89(155)64(36-53(3)4)129-98(164)75-29-20-34-135(75)100(166)74(50-140)121-78(143)45-115-85(151)65(37-56-21-10-8-11-22-56)119-76(141)44-116-86(152)70(46-136)131-91(157)66(38-57-23-12-9-13-24-57)126-96(162)73(49-139)132-88(154)61(27-18-32-112-101(107)108)123-84(150)59(105)25-14-16-30-103/h8-13,21-24,42,51-55,59-75,81,136-140H,14-20,25-41,43-50,103-105H2,1-7H3,(H2,106,148)(H,111,117)(H,114,149)(H,115,151)(H,116,152)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,158)(H,123,150)(H,124,159)(H,125,153)(H,126,162)(H,127,160)(H,128,155)(H,129,164)(H,130,165)(H,131,157)(H,132,154)(H,133,156)(H,134,163)(H,144,145)(H,146,147)(H4,107,108,112)(H4,109,110,113)/t55-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)N)CCC(=O)O)C)C(C)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)N)CCC(=O)O)C)C(C)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)CCCN=C(N)N" . "JKMUANZFHYBAQT-OZIQLYOYSA-N" . "InChI=1S/C121H184N32O36/c1-60(2)53-78(106(175)137-75(41-45-92(162)163)103(172)146-83(119(188)189)56-68-27-16-13-17-28-68)142-110(179)85-32-22-51-152(85)117(186)81(54-67-25-14-12-15-26-67)144-99(168)65(10)132-101(170)73(39-43-90(158)159)135-97(166)64(9)133-109(178)84(59-154)147-104(173)76(42-46-93(164)165)138-107(176)79(57-88(124)156)141-102(171)74(40-44-91(160)161)136-98(167)66(11)134-113(182)94(61(3)4)149-108(177)80(58-89(125)157)143-111(180)86-33-23-52-153(86)118(187)82(55-69-35-37-70(155)38-36-69)145-115(184)95(62(5)6)148-105(174)72(30-18-19-47-122)139-114(183)96(63(7)8)150-112(181)87-34-24-50-151(87)116(185)77(31-21-49-131-121(128)129)140-100(169)71(123)29-20-48-130-120(126)127/h12-17,25-28,35-38,60-66,71-87,94-96,154-155H,18-24,29-34,39-59,122-123H2,1-11H3,(H2,124,156)(H2,125,157)(H,132,170)(H,133,178)(H,134,182)(H,135,166)(H,136,167)(H,137,175)(H,138,176)(H,139,183)(H,140,169)(H,141,171)(H,142,179)(H,143,180)(H,144,168)(H,145,184)(H,146,172)(H,147,173)(H,148,174)(H,149,177)(H,150,181)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,188,189)(H4,126,127,130)(H4,128,129,131)/t64-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,94-,95-,96-/m0/s1" . "NCCCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)CCCN=C(N)N)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C1CSSCC(NC(=O)C(NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(Cc2ccc(cc2)O)N)CCC(=O)N)CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)N)CCC(=O)O)C)C)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)CCCN=C(N)N)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)N)CCC(=O)N)CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CCC(=O)O)C)C)CCCN=C(N)N" . "PNNVWALMJPZPKN-UNDUOMTFSA-N" . "InChI=1S/C93H153N31O28S3/c1-11-46(6)73(74(98)135)123-84(145)55(19-15-34-104-93(101)102)113-76(137)48(8)108-66(128)39-107-79(140)53(17-12-13-32-94)114-80(141)54(18-14-33-103-92(99)100)117-90(151)71(44(2)3)121-77(138)49(9)110-87(148)61-42-154-155-43-62(88(149)118-60(38-70(133)134)86(147)109-47(7)75(136)105-40-67(129)112-57(27-30-69(131)132)81(142)115-58(82(143)119-61)26-29-65(97)127)120-83(144)59(31-36-153-10)116-89(150)63-20-16-35-124(63)91(152)72(45(4)5)122-85(146)56(25-28-64(96)126)111-68(130)41-106-78(139)52(95)37-50-21-23-51(125)24-22-50/h21-24,44-49,52-63,71-73,125H,11-20,25-43,94-95H2,1-10H3,(H2,96,126)(H2,97,127)(H2,98,135)(H,105,136)(H,106,139)(H,107,140)(H,108,128)(H,109,147)(H,110,148)(H,111,130)(H,112,129)(H,113,137)(H,114,141)(H,115,142)(H,116,150)(H,117,151)(H,118,149)(H,119,143)(H,120,144)(H,121,138)(H,122,146)(H,123,145)(H,131,132)(H,133,134)(H4,99,100,103)(H4,101,102,104)/t46-,47-,48-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,71-,72-,73-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)CCCN=C(N)N)CO)CC(=O)N)CO)CC(C)C)CCCN=C(N)N)CC(=O)N)CCCN=C(N)N)C(CC)C)CCCN=C(N)N)CC(=O)O)NC(=O)C1CCCN1C(=O)C(C(CC)C)NC(=O)CNC(=O)C(NC(=O)C(CCCN=C(N)N)N)Cc1ccccc1" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)CCCN=C(N)N)CO)CC(=O)N)CO)CC(C)C)CCCN=C(N)N)CC(=O)N)CCCN=C(N)N)[C@H](CC)C)CCCN=C(N)N)CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)Cc1ccccc1" . "LBPSGCKOVGOHBM-ZGLUUWDISA-N" . "InChI=1S/C91H156N36O26S/c1-8-46(5)69(126-77(144)53(25-17-32-109-91(103)104)116-81(148)59(39-67(134)135)122-76(143)54(27-34-154-7)117-84(151)62-26-18-33-127(62)86(153)70(47(6)9-2)125-66(133)41-110-73(140)56(36-48-19-11-10-12-20-48)118-71(138)49(92)21-13-28-105-87(95)96)85(152)111-40-65(132)113-51(23-15-30-107-89(99)100)74(141)120-57(37-63(93)130)79(146)115-52(24-16-31-108-90(101)102)75(142)119-55(35-45(3)4)78(145)123-61(44-129)83(150)121-58(38-64(94)131)80(147)124-60(43-128)82(149)114-50(22-14-29-106-88(97)98)72(139)112-42-68(136)137/h10-12,19-20,45-47,49-62,69-70,128-129H,8-9,13-18,21-44,92H2,1-7H3,(H2,93,130)(H2,94,131)(H,110,140)(H,111,152)(H,112,139)(H,113,132)(H,114,149)(H,115,146)(H,116,148)(H,117,151)(H,118,138)(H,119,142)(H,120,141)(H,121,150)(H,122,143)(H,123,145)(H,124,147)(H,125,133)(H,126,144)(H,134,135)(H,136,137)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t46-,47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)CCCCN)CCC(=O)N)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccc(cc1)O)CO" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCCN)CCC(=O)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccc(cc1)O)CO" . "LAHQIXAOZMTTQC-LEOUQZHDSA-N" . "InChI=1S/C69H103N17O15/c1-39(2)30-51(59(74)91)80-61(93)48(20-12-14-28-70)77-62(94)50(26-27-57(73)90)79-69(101)58(41(5)88)86-63(95)49(21-13-15-29-71)78-68(100)56(37-87)85-66(98)54(34-44-22-24-46(89)25-23-44)83-67(99)55(35-45-36-75-38-76-45)84-65(97)53(33-43-18-10-7-11-19-43)82-64(96)52(31-40(3)4)81-60(92)47(72)32-42-16-8-6-9-17-42/h6-11,16-19,22-25,36,38-41,47-56,58,87-89H,12-15,20-21,26-35,37,70-72H2,1-5H3,(H2,73,90)(H2,74,91)(H,75,76)(H,77,94)(H,78,100)(H,79,101)(H,80,93)(H,81,92)(H,82,96)(H,83,99)(H,84,97)(H,85,98)(H,86,95)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,58+/m1/s1" . "COc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)n1cccc1" . "COc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)n1cccc1" . "HRRXCXABAPSOCP-UHFFFAOYSA-N" . "InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)" . "CC(CC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)N)NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CC(C)C)N)C)C" . "CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(C)C)N)C)C" . "NLEQDIXNHJSWHA-UPULOONWSA-N" . "InChI=1S/C58H91N13O13/c1-29(2)24-37(59)50(75)65-40(26-35-27-61-38-17-13-12-16-36(35)38)52(77)67-46(31(5)6)55(80)68-47(32(7)8)57(82)71-23-14-18-42(71)53(78)62-28-45(73)63-34(11)49(74)66-41(25-30(3)4)56(81)70-22-15-19-43(70)54(79)64-39(20-21-44(60)72)51(76)69-48(33(9)10)58(83)84/h12-13,16-17,27,29-34,37,39-43,46-48,61H,14-15,18-26,28,59H2,1-11H3,(H2,60,72)(H,62,78)(H,63,73)(H,64,79)(H,65,75)(H,66,74)(H,67,77)(H,68,80)(H,69,76)(H,83,84)/t34-,37-,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1" . "CC1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1ccccc1)n1ccc(n1)OCCC1(CC1)C(F)(F)F" . "C[C@@H]1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1ccccc1)n1ccc(n1)OCCC1(CC1)C(F)(F)F" . "IGEOJNMYRZUKIK-IBGZPJMESA-N" . "InChI=1S/C28H32F3N5O4S/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37)/t19-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)N)CC(C)C)C)C(C)C)C(C)C)Cc1c[nH]c2c1cccc2)CC(C)C)CCCN=C(N)N)CCC(=O)O)CCC(=O)O)CC(C)C)NC(=O)C1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(Cc2c[nH]c3c2cccc3)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(CCCCN)N)CCCN=C(N)N)CCCN=C(N)N)C)CCCCN)C)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)C(=O)NC2CSSCC(C(=O)NC(C(=O)N3C(C(=O)N1)CCC3)CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC2=O)Cc2c[nH]cn2)CCCN=C(N)N)C(C)C)CCC3)CO)CCC1)CC(=O)N)CO)C(O)C)CC(=O)N)Cc1c[nH]cn1)C(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N)CC(C)C)C)C(C)C)C(C)C)Cc1c[nH]c2c1cccc2)CC(C)C)CCCN=C(N)N)CCC(=O)O)CCC(=O)O)CC(C)C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CCCN=C(N)N)C)CCCCN)C)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N1)CCC3)CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc2c[nH]cn2)CCCN=C(N)N)C(C)C)CCC3)CO)CCC1)CC(=O)N)CO)[C@H](O)C)CC(=O)N)Cc1c[nH]cn1)C(C)C" . "MKYBCIBFBPPBKT-QSWODBGPSA-N" . "FCCCN1CCC(C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)C(=O)O)c1ccc(cc1Cl)Cl" . "FCCCN1CCC(C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)C(=O)O)c1ccc(cc1Cl)Cl" . "KISZAGQTIXIVAR-UHFFFAOYSA-N" . "InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)" . "CCN(CCOc1ccc(cc1)C(=O)c1c(sc2c1ccc(c2)O)c1ccc(cc1)O)CCCCCOCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NC(c1ccc(cc1)c1scnc1C)C)O" . "CCN(CCOc1ccc(cc1)C(=O)c1c(sc2c1ccc(c2)O)c1ccc(cc1)O)CCCCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O" . "BQXUPNKLZNSUMC-YUQWMIPFSA-N" . "InChI=1S/C55H65N5O9S2/c1-7-59(26-28-69-43-22-17-37(18-23-43)49(65)48-44-24-21-41(62)30-46(44)71-51(48)39-15-19-40(61)20-16-39)25-9-8-10-27-68-32-47(64)58-52(55(4,5)6)54(67)60-31-42(63)29-45(60)53(66)57-34(2)36-11-13-38(14-12-36)50-35(3)56-33-70-50/h11-24,30,33-34,42,45,52,61-63H,7-10,25-29,31-32H2,1-6H3,(H,57,66)(H,58,64)/t34-,42+,45-,52+/m0/s1" . "OC1CC(N(C1)C(=O)C(C(C)(C)C)NC(=O)COCCCOCCNC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)NC(c1ccc(cc1)c1scnc1C)C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C" . "PQOGZKGXGLHDGS-QQRWPDCKSA-N" . "InChI=1S/C49H60ClN9O7S2/c1-27-30(4)68-48-41(27)42(33-14-16-35(50)17-15-33)54-37(45-57-56-31(5)59(45)48)23-39(61)51-18-21-65-19-9-20-66-25-40(62)55-44(49(6,7)8)47(64)58-24-36(60)22-38(58)46(63)53-28(2)32-10-12-34(13-11-32)43-29(3)52-26-67-43/h10-17,26,28,36-38,44,60H,9,18-25H2,1-8H3,(H,51,61)(H,53,63)(H,55,62)/t28-,36+,37-,38-,44+/m0/s1" . "OC1CC(N(C1)C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)C(=O)NC(c1ccc(cc1)c1scnc1C)C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C" . "KCBAMQOKOLXLOX-BSZYMOERSA-N" . "InChI=1S/C50H65F3IN7O6S/c1-31(33-16-18-34(19-17-33)45-32(2)56-30-68-45)57-48(65)41-28-36(62)29-61(41)49(66)46(50(3,4)5)59-42(63)15-12-10-8-6-7-9-11-13-24-55-25-14-26-67-60-47(64)37-21-22-38(51)43(53)44(37)58-40-23-20-35(54)27-39(40)52/h16-23,27,30-31,36,41,46,55,58,62H,6-15,24-26,28-29H2,1-5H3,(H,57,65)(H,59,63)(H,60,64)/t31-,36+,41-,46+/m0/s1" . "COc1ccc(cc1)Cc1ccc(cc1)c1csc(n1)N" . "COc1ccc(cc1)Cc1ccc(cc1)c1csc(n1)N" . "GGCCOFFVKJCRKJ-UHFFFAOYSA-N" . "InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19)" . "CCCC(c1ccccc1)NC(=O)c1ccc(c(c1)C(=O)O)c1c(Cl)cccc1c1nc2c([nH]1)cccc2" . "CCC[C@H](c1ccccc1)NC(=O)c1ccc(c(c1)C(=O)O)c1c(Cl)cccc1c1nc2c([nH]1)cccc2" . "KCWRZNXFHSFVKD-RUZDIDTESA-N" . "InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1" . "Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2" . "Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2" . "GMHIOMMKSMSRLY-UHFFFAOYSA-N" . "InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2" . "Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C" . "Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C" . "ZWKJWVSEDISQIS-UHFFFAOYSA-N" . "InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3" . "Nc1sc2c(n1)c1ccccc1c(c2)C" . "Nc1sc2c(n1)c1ccccc1c(c2)C" . "JQZQMZXXJFFVFE-UHFFFAOYSA-N" . "InChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)" . "CC1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1cn(nc1C)C)n1ccc(n1)OCC(C(F)(F)F)(C)C" . "C[C@@H]1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1cn(nc1C)C)n1ccc(n1)OCC(C(F)(F)F)(C)C" . "MVRHVFSOIWFBTE-INIZCTEOSA-N" . "InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1" . "OCCN(C1CCN(CC1)c1ccc(cc1F)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C" . "OCCN(C1CCN(CC1)c1ccc(cc1F)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C" . "CVLXNRIQVFIVGY-UHFFFAOYSA-N" . "InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)" . "Fc1cc(cc(c1)c1ncncc1F)c1nnc(o1)c1ccc(cc1)C(=O)NC(c1ccc(cc1Cl)c1ccc(cc1)F)Cn1ccnc1" . "Fc1cc(cc(c1)c1ncncc1F)c1nnc(o1)c1ccc(cc1)C(=O)N[C@H](c1ccc(cc1Cl)c1ccc(cc1)F)Cn1ccnc1" . "ZSDQWZVUVIKSDR-YTTGMZPUSA-N" . "InChI=1S/C36H23ClF3N7O2/c37-30-16-24(21-5-8-27(38)9-6-21)7-10-29(30)32(18-47-12-11-41-20-47)44-34(48)22-1-3-23(4-2-22)35-45-46-36(49-35)26-13-25(14-28(39)15-26)33-31(40)17-42-19-43-33/h1-17,19-20,32H,18H2,(H,44,48)/t32-/m0/s1" . "O=C(CN1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "O=C(CN1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "BXDZOYLPNAIDOC-UHFFFAOYSA-N" . "InChI=1S/C40H52N8O10S2/c1-40(2,3)29-21-43-32(58-29)24-59-33-22-44-39(60-33)46-35(51)25-9-13-47(14-10-25)23-31(50)42-12-16-56-18-20-57-19-17-55-15-11-41-27-6-4-5-26-34(27)38(54)48(37(26)53)28-7-8-30(49)45-36(28)52/h4-6,21-22,25,28,41H,7-20,23-24H2,1-3H3,(H,42,50)(H,44,46,51)(H,45,49,52)" . "COc1cc(cc(c1CN(CC(=O)NCCCCCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "COc1cc(cc(c1CN(CC(=O)NCCCCCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "ZDINQSNMYRVAGP-UHFFFAOYSA-N" . "InChI=1S/C42H49N7O8/c1-47(23-31-34(56-3)20-26(21-35(31)57-4)30-24-48(2)40(53)29-22-43-19-16-27(29)30)25-37(51)45-18-10-8-6-5-7-9-17-44-32-13-11-12-28-38(32)42(55)49(41(28)54)33-14-15-36(50)46-39(33)52/h11-13,16,19-22,24,33,44H,5-10,14-15,17-18,23,25H2,1-4H3,(H,45,51)(H,46,50,52)" . "COc1cc(cc(c1CN(CC(=O)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "COc1cc(cc(c1CN(CC(=O)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "AIOCFZJGGGEWDK-UHFFFAOYSA-N" . "InChI=1S/C40H45N7O10/c1-45(21-29-32(54-3)18-24(19-33(29)55-4)28-22-46(2)38(51)27-20-41-11-10-25(27)28)23-35(49)43-13-15-57-17-16-56-14-12-42-30-7-5-6-26-36(30)40(53)47(39(26)52)31-8-9-34(48)44-37(31)50/h5-7,10-11,18-20,22,31,42H,8-9,12-17,21,23H2,1-4H3,(H,43,49)(H,44,48,50)" . "O=C(CCc1ccc2c(c1)[nH]c1c2cncc1)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "O=C(CCc1ccc2c(c1)[nH]c1c2cncc1)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "NWTCZTAQSRLSCP-UHFFFAOYSA-N" . "InChI=1S/C33H34N6O7/c40-28(8-5-20-4-6-21-23-19-34-11-10-24(23)37-26(21)18-20)36-13-15-46-17-16-45-14-12-35-25-3-1-2-22-30(25)33(44)39(32(22)43)27-7-9-29(41)38-31(27)42/h1-4,6,10-11,18-19,27,35,37H,5,7-9,12-17H2,(H,36,40)(H,38,41,42)" . "Cc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1" . "Cc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1" . "IRGYSXZCDAWOOC-UHFFFAOYSA-N" . "InChI=1S/C16H20N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h3-4,7-10,17H,2,5-6,11-12H2,1H3" . "Fc1ccc2c(c1CNc1ncc(c3n1cnn3)c1cccnc1C)CCO2" . "Fc1ccc2c(c1CNc1ncc(c3n1cnn3)c1cccnc1C)CCO2" . "XLIBABIFOBYHSV-UHFFFAOYSA-N" . "InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(O)C)CO)CCSC)CC(C)C)CC(=O)N)C(O)C)Cc1c[nH]cn1)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(N)C)CC(C)C)CCCCN)CCC(=O)N)CCSC)CCCCN)CCSC)CCSC)CCC(=O)O)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](O)C)CO)CCSC)CC(C)C)CC(=O)N)[C@H](O)C)Cc1c[nH]cn1)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)CCCCN)CCC(=O)N)CCSC)CCCCN)CCSC)CCSC)CCC(=O)O)CCCN=C(N)N" . "RVUJAIDUVQKVDU-OTFOMDLSSA-N" . "InChI=1S/C130H229N37O39S4/c1-19-68(9)100(163-96(174)62-142-124(200)102(71(12)169)165-121(197)89(57-66(5)6)157-105(181)70(11)135)125(201)155-77(32-23-27-49-133)108(184)148-80(35-39-94(136)172)110(186)152-84(43-52-207-15)114(190)146-78(33-24-28-50-134)118(194)164-101(69(10)20-2)126(202)156-87(46-55-210-18)116(192)153-85(44-53-208-16)115(191)151-82(37-41-98(177)178)112(188)147-79(34-29-51-141-130(138)139)109(185)144-75(30-21-25-47-131)106(182)149-81(36-40-97(175)176)111(187)145-76(31-22-26-48-132)107(183)150-83(38-42-99(179)180)113(189)159-90(59-74-61-140-64-143-74)122(198)166-103(72(13)170)127(203)160-91(60-95(137)173)120(196)158-88(56-65(3)4)119(195)154-86(45-54-209-17)117(193)162-93(63-168)123(199)167-104(73(14)171)128(204)161-92(129(205)206)58-67(7)8/h61,64-73,75-93,100-104,168-171H,19-60,62-63,131-135H2,1-18H3,(H2,136,172)(H2,137,173)(H,140,143)(H,142,200)(H,144,185)(H,145,187)(H,146,190)(H,147,188)(H,148,184)(H,149,182)(H,150,183)(H,151,191)(H,152,186)(H,153,192)(H,154,195)(H,155,201)(H,156,202)(H,157,181)(H,158,196)(H,159,189)(H,160,203)(H,161,204)(H,162,193)(H,163,174)(H,164,194)(H,165,197)(H,166,198)(H,167,199)(H,175,176)(H,177,178)(H,179,180)(H,205,206)(H4,138,139,141)/t68-,69-,70-,71+,72+,73+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,100-,101-,102-,103-,104-/m0/s1" . "OCc1cc(ccc1O)C(CNC(C)(C)C)O" . "OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O" . "NDAUXUAQIAJITI-LBPRGKRZSA-N" . "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CSSCC(NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CC(=O)O)Cc1ccccc1)CC(C)C)CCC2)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CC(=O)N)C(O)C)CO)C(CC)C)CCCN=C(N)N)Cc1ccccc1)CO)CCCN=C(N)N)C)CCC(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)CO)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C(O)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)CC(C)C)CC(C)C)CCCN=C(N)N)Cc1ccc(cc1)O)CCC(=O)N)Cc1nc[nH]c1)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(=O)O)Cc1ccccc1)CC(C)C)CCC2)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)N)[C@H](O)C)CO)[C@H](CC)C)CCCN=C(N)N)Cc1ccccc1)CO)CCCN=C(N)N)C)CCC(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)CO)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CC(C)C)CC(C)C)CCCN=C(N)N)Cc1ccc(cc1)O)CCC(=O)N)Cc1nc[nH]c1)C" . "NZRXPCZWIFPFBB-SZWZVGMQSA-N" . "InChI=1S/C215H330N68O58S2/c1-19-110(13)167(275-190(321)141(87-121-93-232-104-245-121)265-201(332)165(108(9)10)272-182(313)132(63-65-156(217)290)255-186(317)138(84-118-59-61-122(289)62-60-118)264-199(330)153-56-38-76-281(153)207(338)155-58-40-78-283(155)208(339)170(115(18)288)277-181(312)131(52-34-72-238-215(229)230)257-198(329)152-55-37-75-280(152)206(337)154-57-39-77-282(154)205(336)143(81-107(7)8)267-184(315)135(80-106(5)6)258-173(304)124(216)88-163(298)299)203(334)270-146(99-285)192(323)263-140(86-120-92-231-103-244-120)188(319)252-128(49-31-69-235-212(223)224)178(309)254-133(64-66-162(296)297)177(308)246-112(15)171(302)251-127(48-30-68-234-211(221)222)175(306)242-96-160(294)279-74-36-54-151(279)197(328)269-145(98-284)191(322)261-136(82-116-41-23-21-24-42-116)185(316)253-130(51-33-71-237-214(227)228)180(311)274-168(111(14)20-2)204(335)271-149-102-343-342-101-148(194(325)268-147(100-286)193(324)276-169(114(17)287)200(331)241-95-158(292)248-144(209(340)341)89-157(218)291)249-159(293)94-240-174(305)126(47-29-67-233-210(219)220)250-172(303)113(16)247-183(314)139(85-119-91-239-125-46-28-27-45-123(119)125)262-179(310)129(50-32-70-236-213(225)226)256-196(327)150-53-35-73-278(150)161(295)97-243-176(307)134(79-105(3)4)259-187(318)137(83-117-43-25-22-26-44-117)260-189(320)142(90-164(300)301)266-202(333)166(109(11)12)273-195(149)326/h21-28,41-46,59-62,91-93,103-115,124,126-155,165-170,239,284-289H,19-20,29-40,47-58,63-90,94-102,216H2,1-18H3,(H2,217,290)(H2,218,291)(H,231,244)(H,232,245)(H,240,305)(H,241,331)(H,242,306)(H,243,307)(H,246,308)(H,247,314)(H,248,292)(H,249,293)(H,250,303)(H,251,302)(H,252,319)(H,253,316)(H,254,309)(H,255,317)(H,256,327)(H,257,329)(H,258,304)(H,259,318)(H,260,320)(H,261,322)(H,262,310)(H,263,323)(H,264,330)(H,265,332)(H,266,333)(H,267,315)(H,268,325)(H,269,328)(H,270,334)(H,271,335)(H,272,313)(H,273,326)(H,274,311)(H,275,321)(H,276,324)(H,277,312)(H,296,297)(H,298,299)(H,300,301)(H,340,341)(H4,219,220,233)(H4,221,222,234)(H4,223,224,235)(H4,225,226,236)(H4,227,228,237)(H4,229,230,238)/t110-,111-,112-,113-,114+,115+,124-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,165-,166-,167-,168-,169-,170-/m0/s1" . "NCCCCC1NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C(CC)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CO)C(C)C)CO)NC(=O)C(NC(=O)C(CCC(=O)O)N)CC(=O)O)CCCCN)Cc1ccc(cc1)O)C(CC)C)C(C)C)C(C)C" . "NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CO)C(C)C)CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)CCCCN)Cc1ccc(cc1)O)[C@H](CC)C)C(C)C)C(C)C" . "JXASPFJVDIPKEB-XNSPQFCGSA-N" . "InChI=1S/C127H204N30O39S2/c1-14-66(10)100-123(191)152-99(65(8)9)122(190)151-98(64(6)7)120(188)141-82(44-47-94(166)167)109(177)136-76(32-19-24-48-128)105(173)135-78(34-21-26-50-130)108(176)145-86(57-96(170)171)126(194)157-53-29-37-91(157)119(187)140-79(35-22-27-51-131)106(174)137-80(36-23-28-52-132)111(179)156-103(69(13)160)125(193)149-90(62-198-197-61-89(148-112(180)85(56-95(168)169)142-104(172)74(133)42-45-92(162)163)117(185)138-77(33-20-25-49-129)107(175)143-83(113(181)153-100)54-70-38-40-72(161)41-39-70)118(186)146-88(60-159)116(184)150-97(63(4)5)121(189)147-87(59-158)115(183)139-81(43-46-93(164)165)110(178)144-84(55-71-58-134-75-31-18-17-30-73(71)75)114(182)154-101(67(11)15-2)124(192)155-102(127(195)196)68(12)16-3/h17-18,30-31,38-41,58,63-69,74,76-91,97-103,134,158-161H,14-16,19-29,32-37,42-57,59-62,128-133H2,1-13H3,(H,135,173)(H,136,177)(H,137,174)(H,138,185)(H,139,183)(H,140,187)(H,141,188)(H,142,172)(H,143,175)(H,144,178)(H,145,176)(H,146,186)(H,147,189)(H,148,180)(H,149,193)(H,150,184)(H,151,190)(H,152,191)(H,153,181)(H,154,182)(H,155,192)(H,156,179)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,195,196)/t66-,67-,68-,69+,74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,97-,98-,99-,100-,101-,102-,103-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CO)CC(=O)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CCCCN)N)CCCN=C(N)N)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CC(C)C)CCC(=O)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CO)CC(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CC(C)C)CCC(=O)N" . "USZLWOIXWADXRT-HXRUCQLXSA-N" . "InChI=1S/C127H181N31O34/c1-67(2)52-84(145-110(175)81(36-23-49-136-127(134)135)140-107(172)78(130)33-19-21-47-128)108(173)138-65-102(164)139-70(7)106(171)144-85(53-68(3)4)113(178)146-88(56-72-28-13-9-14-29-72)116(181)154-94(61-101(133)163)124(189)157-50-24-38-98(157)123(188)153-90(58-74-39-41-76(160)42-40-74)115(180)147-89(57-73-30-15-10-16-31-73)117(182)155-95(63-105(169)170)125(190)158-51-25-37-97(158)122(187)152-86(54-69(5)6)112(177)142-82(43-45-99(131)161)111(176)149-91(59-75-64-137-79-34-18-17-32-77(75)79)118(183)141-80(35-20-22-48-129)109(174)150-92(60-100(132)162)119(184)156-96(66-159)121(186)151-93(62-104(167)168)120(185)148-87(55-71-26-11-8-12-27-71)114(179)143-83(126(191)192)44-46-103(165)166/h8-18,26-32,34,39-42,64,67-70,78,80-98,137,159-160H,19-25,33,35-38,43-63,65-66,128-130H2,1-7H3,(H2,131,161)(H2,132,162)(H2,133,163)(H,138,173)(H,139,164)(H,140,172)(H,141,183)(H,142,177)(H,143,179)(H,144,171)(H,145,175)(H,146,178)(H,147,180)(H,148,185)(H,149,176)(H,150,174)(H,151,186)(H,152,187)(H,153,188)(H,154,181)(H,155,182)(H,156,184)(H,165,166)(H,167,168)(H,169,170)(H,191,192)(H4,134,135,136)/t70-,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)O)C(CC)C)CC(=O)N)C(CC)C)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)O)[C@H](CC)C)CC(=O)N)[C@H](CC)C)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)N" . "CCMVMLBWJFAFRO-IAMXVIFYSA-N" . "InChI=1S/C97H153N25O27/c1-13-51(10)77(93(146)115-67(42-56-27-33-59(126)34-28-56)89(142)120-76(50(8)9)92(145)117-70(45-75(131)132)90(143)122-79(95(148)149)53(12)15-3)119-73(128)46-107-81(134)68(43-72(100)127)116-94(147)78(52(11)14-2)121-88(141)64(39-49(6)7)111-85(138)65(40-54-23-29-57(124)30-24-54)113-87(140)69(44-74(129)130)114-84(137)63(38-48(4)5)110-83(136)62(22-19-37-106-97(103)104)109-91(144)71(47-123)118-86(139)66(41-55-25-31-58(125)32-26-55)112-82(135)61(21-18-36-105-96(101)102)108-80(133)60(99)20-16-17-35-98/h23-34,48-53,60-71,76-79,123-126H,13-22,35-47,98-99H2,1-12H3,(H2,100,127)(H,107,134)(H,108,133)(H,109,144)(H,110,136)(H,111,138)(H,112,135)(H,113,140)(H,114,137)(H,115,146)(H,116,147)(H,117,145)(H,118,139)(H,119,128)(H,120,142)(H,121,141)(H,122,143)(H,129,130)(H,131,132)(H,148,149)(H4,101,102,105)(H4,103,104,106)/t51-,52-,53-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,76-,77-,78-,79-/m0/s1" . "N#CC1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O" . "N#C[C@H]1CCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@@H](C2)O" . "DVTDUTYENPZLFP-FXEFULGUSA-N" . "InChI=1S/C20H31NO/c1-19-9-7-15(22)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h13-18,22H,3-11H2,1-2H3/t13-,14-,15+,16?,17?,18?,19+,20-/m1/s1" . "CCCOc1cccc(c1)Oc1cc2n(C)c(=O)n(c2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCOCCOCCOCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NCc1ccc(cc1)c1scnc1C)O)C" . "CCCOc1cccc(c1)Oc1cc2n(C)c(=O)n(c2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)C" . "QUQTXFIMYFMULC-OGOZKGDESA-N" . "InChI=1S/C55H68N8O13S2/c1-8-20-75-40-12-10-13-41(28-40)76-47-30-45-44(61(6)54(69)62(45)7)29-43(47)60-78(70,71)42-14-9-11-38(26-42)51(66)56-19-21-72-22-23-73-24-25-74-33-48(65)59-50(55(3,4)5)53(68)63-32-39(64)27-46(63)52(67)57-31-36-15-17-37(18-16-36)49-35(2)58-34-77-49/h9-18,26,28-30,34,39,46,50,60,64H,8,19-25,27,31-33H2,1-7H3,(H,56,66)(H,57,67)(H,59,65)/t39-,46+,50-/m1/s1" . "OCC1OC2SC(=NCC)NC2C(C1O)O" . "OC[C@H]1O[C@@H]2SC(=NCC)N[C@@H]2[C@H]([C@@H]1O)O" . "PPAIMZHKIXDJRN-FMDGEEDCSA-N" . "InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1ccc(cc1)C(C)(C)C" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1ccc(cc1)C(C)(C)C" . "QBPVFCNYKUENHU-UHFFFAOYSA-N" . "InChI=1S/C55H62N10O8/c1-34-39(12-10-14-41(34)60-49(68)35-16-20-37(21-17-35)55(2,3)4)43-33-62(5)54(73)48(59-43)58-38-22-18-36(19-23-38)51(70)64-30-28-63(29-31-64)27-9-7-6-8-26-56-46(67)32-57-42-15-11-13-40-47(42)53(72)65(52(40)71)44-24-25-45(66)61-50(44)69/h10-23,33,44,57H,6-9,24-32H2,1-5H3,(H,56,67)(H,58,59)(H,60,68)(H,61,66,69)" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCCCNC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "JGQPZPLJOBHHBK-UFXYQILXSA-N" . "InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30?/m0/s1" . "CCC(C(=O)N1CCCCC1C(=O)OC(c1ccccc1OCC(=O)NCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC" . "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1ccccc1OCC(=O)NCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC" . "BJFBRLAWLPZOMJ-QHVFGHLPSA-N" . "InChI=1S/C57H68N4O15/c1-7-37(36-32-47(71-4)52(73-6)48(33-36)72-5)54(65)60-29-14-12-19-41(60)57(68)76-43(25-22-35-23-26-44(69-2)46(31-35)70-3)38-17-10-11-20-42(38)75-34-50(63)58-28-13-8-9-15-30-74-45-21-16-18-39-51(45)56(67)61(55(39)66)40-24-27-49(62)59-53(40)64/h10-11,16-18,20-21,23,26,31-33,37,40-41,43H,7-9,12-15,19,22,24-25,27-30,34H2,1-6H3,(H,58,63)(H,59,62,64)/t37-,40?,41-,43+/m0/s1" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCOCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCOCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C" . "LUHCYAOYQIFNRN-UHFFFAOYSA-N" . "InChI=1S/C47H56N10O11/c1-29-34-27-50-47(53-42(34)56(31-6-3-4-7-31)45(63)40(29)30(2)58)51-37-12-10-32(26-49-37)55-17-15-54(16-18-55)19-21-66-23-25-67-24-22-65-20-14-48-39(60)28-68-36-9-5-8-33-41(36)46(64)57(44(33)62)35-11-13-38(59)52-43(35)61/h5,8-10,12,26-27,31,35H,3-4,6-7,11,13-25,28H2,1-2H3,(H,48,60)(H,52,59,61)(H,49,50,51,53)" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(c2)C(=O)N(C)C" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(c2)C(=O)N(C)C" . "GWLSXEHHNOBFOI-UHFFFAOYSA-N" . "InChI=1S/C42H49N11O7/c1-49(2)40(58)31-22-26-23-45-42(48-37(26)52(31)27-8-3-4-9-27)46-33-14-12-28(24-44-33)51-20-18-50(19-21-51)17-6-5-16-43-35(55)25-60-32-11-7-10-29-36(32)41(59)53(39(29)57)30-13-15-34(54)47-38(30)56/h7,10-12,14,22-24,27,30H,3-6,8-9,13,15-21,25H2,1-2H3,(H,43,55)(H,47,54,56)(H,44,45,46,48)" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C" . "KDMOCOWXLQOXEB-UHFFFAOYSA-N" . "InChI=1S/C43H48N10O8/c1-25-30-23-46-43(49-38(30)52(27-8-3-4-9-27)41(59)36(25)26(2)54)47-33-14-12-28(22-45-33)51-20-18-50(19-21-51)17-6-5-16-44-35(56)24-61-32-11-7-10-29-37(32)42(60)53(40(29)58)31-13-15-34(55)48-39(31)57/h7,10-12,14,22-23,27,31H,3-6,8-9,13,15-21,24H2,1-2H3,(H,44,56)(H,48,55,57)(H,45,46,47,49)" . "O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1" . "O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1" . "OBTSACXGWYGCPK-UHFFFAOYSA-N" . "InChI=1S/C21H16N2O2S/c24-19-12-16(20-6-3-9-26-20)11-18(13-19)23-21(25)22-17-8-7-14-4-1-2-5-15(14)10-17/h1-13,24H,(H2,22,23,25)" . "CCCCCc1cccc(c1)CC(=O)O" . "CCCCCc1cccc(c1)CC(=O)O" . "PEGQOIGYZLJMIB-UHFFFAOYSA-N" . "InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCN1CCC(CC1)c1cc(OC(C)C)c(cc1C)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCN1CCC(CC1)c1cc(OC(C)C)c(cc1C)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl" . "XIRQUXILNXIWDI-UHFFFAOYSA-N" . "InChI=1S/C49H60ClN9O10S/c1-29(2)69-40-26-34(31(5)25-38(40)55-49-53-27-35(50)45(57-49)54-36-10-6-7-12-41(36)70(65,66)30(3)4)32-15-18-58(19-16-32)20-22-68-24-23-67-21-17-51-43(61)28-52-37-11-8-9-33-44(37)48(64)59(47(33)63)39-13-14-42(60)56-46(39)62/h6-12,25-27,29-30,32,39,52H,13-24,28H2,1-5H3,(H,51,61)(H,56,60,62)(H2,53,54,55,57)" . "Fc1ccc(cc1)S(=O)(=O)C12CCN(C1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C1(O)CCS(=O)(=O)CC1" . "Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C1(O)CCS(=O)(=O)CC1" . "ONXFNBOZJKXCNC-ZJSXRUAMSA-N" . "InChI=1S/C27H25F8NO6S2/c28-18-3-5-19(6-4-18)44(41,42)24-9-12-36(22(37)23(38)10-13-43(39,40)14-11-23)21(24)8-1-16-15-17(2-7-20(16)24)25(29,26(30,31)32)27(33,34)35/h2-7,15,21,38H,1,8-14H2/t21-,24-/m1/s1" . "N#CCC1CCC(CC1)n1c(=O)[nH]c2c1nc(nc2)Nc1ccc[nH]c1=O" . "N#CC[C@@H]1CC[C@H](CC1)n1c(=O)[nH]c2c1nc(nc2)Nc1ccc[nH]c1=O" . "NIIBPFADTOPKBI-HAQNSBGRSA-N" . "InChI=1S/C18H19N7O2/c19-8-7-11-3-5-12(6-4-11)25-15-14(23-18(25)27)10-21-17(24-15)22-13-2-1-9-20-16(13)26/h1-2,9-12H,3-7H2,(H,20,26)(H,23,27)(H,21,22,24)/t11-,12-" . "OC1CC(N(C1)C(=O)C(C(C)(C)C)NC(=O)CCCCCCC(=O)N1CCN(CC1)c1nc(C)nc(c1)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl)C(=O)NCc1ccc(cc1)c1scnc1C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCC(=O)N1CCN(CC1)c1nc(C)nc(c1)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl)C(=O)NCc1ccc(cc1)c1scnc1C" . "YGQREOJIRFCRKQ-ZIBKGDFVSA-N" . "InChI=1S/C50H62ClN11O6S2/c1-30-12-11-13-36(51)43(30)59-47(67)38-27-53-49(70-38)57-39-25-40(56-32(3)55-39)60-20-22-61(23-21-60)42(65)15-10-8-7-9-14-41(64)58-45(50(4,5)6)48(68)62-28-35(63)24-37(62)46(66)52-26-33-16-18-34(19-17-33)44-31(2)54-29-69-44/h11-13,16-19,25,27,29,35,37,45,63H,7-10,14-15,20-24,26,28H2,1-6H3,(H,52,66)(H,58,64)(H,59,67)(H,53,55,56,57)/t35-,37+,45-/m1/s1" . "COC(=O)C=CC(=O)OCCN1C(=O)CCC1=O" . "COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O" . "YIMYDTCOUQIDMT-SNAWJCMRSA-N" . "InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+" . "CN1CCN(CC1)c1nnc(c(c1)c1ccncc1)c1ccc2c(c1)cccc2" . "CN1CCN(CC1)c1nnc(c(c1)c1ccncc1)c1ccc2c(c1)cccc2" . "CIIVUDIZZJLXCN-UHFFFAOYSA-N" . "InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3" . "O=C(NC1CC(=O)NC1=O)C=Cc1ccccc1" . "O=C(NC1CC(=O)NC1=O)/C=C/c1ccccc1" . "NSEUGMATEWSNTO-VOTSOKGWSA-N" . "InChI=1S/C13H12N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-7,10H,8H2,(H,14,16)(H,15,17,18)/b7-6+" . "O=C1CCC(C(=O)N1)n1c(C)nc2c(c1=O)c(N)ccc2" . "O=C1CCC(C(=O)N1)n1c(C)nc2c(c1=O)c(N)ccc2" . "RSNPAKAFCAAMBH-UHFFFAOYSA-N" . "InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)" . "Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=NS(=O)(=O)c1ccc(cc1)Cl)N=C(N)C" . "Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N/S(=O)(=O)c1ccc(cc1)Cl)/N=C(/N)/C" . "GZPQTZIUWCQXCF-JOCHJYFZSA-N" . "InChI=1S/C24H21Cl2N5O2S/c1-16(27)28-24(30-34(32,33)21-13-11-20(26)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(25)10-8-18/h2-14,22H,15H2,1H3,(H2,27,28,30)/t22-/m1/s1" . "C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)C1(C)N=C(N)SC2(C1C2)COC)F" . "C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)[C@@]1(C)N=C(N)S[C@@]2([C@H]1C2)COC)F" . "IPUJINDWAGRAHN-KNXBSLHKSA-N" . "InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1" . "CN1CCN(CC1)Cc1ccc(cc1)c1cccc(c1)C(=O)Nc1ccccc1CC(=O)O" . "CN1CCN(CC1)Cc1ccc(cc1)c1cccc(c1)C(=O)Nc1ccccc1CC(=O)O" . "UTWXDNZWMQAUKL-UHFFFAOYSA-N" . "InChI=1S/C27H29N3O3/c1-29-13-15-30(16-14-29)19-20-9-11-21(12-10-20)22-6-4-7-24(17-22)27(33)28-25-8-3-2-5-23(25)18-26(31)32/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)(H,31,32)" . "Oc1cc(C)c(c(c1)C)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C(C)C)C(C)C)N" . "Oc1cc(C)c(c(c1)C)C[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)Cc1ccccc1)C(C)C)C(C)C)N" . "IYNDNOATOVLHNV-POTDNYQPSA-N" . "InChI=1S/C30H43N5O5/c1-16(2)25(29(39)33-24(27(32)37)14-20-10-8-7-9-11-20)35-30(40)26(17(3)4)34-28(38)23(31)15-22-18(5)12-21(36)13-19(22)6/h7-13,16-17,23-26,36H,14-15,31H2,1-6H3,(H2,32,37)(H,33,39)(H,34,38)(H,35,40)/t23-,24-,25-,26+/m1/s1" . "Nc1ccc(nc1)Oc1ccc(cc1)C(C)(C)C" . "Nc1ccc(nc1)Oc1ccc(cc1)C(C)(C)C" . "WHIWGRCYMQLLAO-UHFFFAOYSA-N" . "InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3" . "Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)O)CNC(C)(C)C" . "Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)O)CNC(C)(C)C" . "ZVMMVSSEAMUNGI-UHFFFAOYSA-N" . "InChI=1S/C20H22ClN3O/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18/h4-11,23,25H,12H2,1-3H3,(H,22,24)" . "CN(c1ccc2c(c1)c(=O)n(c(=O)n2C)c1ccc(cc1)CC(C(=O)O)NC(=O)c1c(Cl)cccc1Cl)C" . "CN(c1ccc2c(c1)c(=O)n(c(=O)n2C)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(Cl)cccc1Cl)C" . "YQKBOUPIOWUMTE-NRFANRHFSA-N" . "InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1" . "CCNC1=NC2C(S1)OC(C(C2O)O)C(F)F" . "CCNC1=N[C@H]2[C@@H](S1)O[C@@H]([C@H]([C@@H]2O)O)C(F)F" . "UDQTXCHQKHIQMH-KYGLGHNPSA-N" . "InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1" . "OCC1Cc2c(cccc2C(N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C" . "OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C" . "XHCSBQBBGNQINS-DOTOQJQBSA-N" . "InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1" . "CN1C(=O)CCC1C(=O)NCc1cccc(c1Cl)C(F)(F)F" . "CN1C(=O)CC[C@H]1C(=O)NCc1cccc(c1Cl)C(F)(F)F" . "BJEMSIVBBUBXMZ-JTQLQIEISA-N" . "InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1" . "O=C(C1CCC(=O)N1C)NCc1ccc(cc1Cl)Cl" . "O=C([C@@H]1CCC(=O)N1C)NCc1ccc(cc1Cl)Cl" . "YMNOJCVLDDTECB-NSHDSACASA-N" . "InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1" . "O=C(C1CCC(=O)N1c1cccs1)NCc1ccc(cc1Cl)Cl" . "O=C([C@@H]1CCC(=O)N1c1cccs1)NCc1ccc(cc1Cl)Cl" . "PCHSDJRKGJKOAG-ZDUSSCGKSA-N" . "InChI=1S/C16H14Cl2N2O2S/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc(s1)c1cnc2c(c1)CN(C2=O)C" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc(s1)c1cnc2c(c1)CN(C2=O)C" . "ZYYGNLSPUWSHQW-UHFFFAOYSA-N" . "InChI=1S/C24H18F2N4O4S2/c1-30-12-15-7-13(10-27-22(15)24(30)31)19-4-5-20(35-19)14-8-18(23(34-2)28-11-14)29-36(32,33)21-6-3-16(25)9-17(21)26/h3-11,29H,12H2,1-2H3" . "NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl" . "NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl" . "YEDOPHDWRSVQOP-UHFFFAOYSA-N" . "InChI=1S/C27H30ClFN4O3/c28-21-5-3-6-22(29)25(21)18-8-10-31(11-9-18)16-20-19-4-1-2-7-23(19)33(17-24(30)34)26(20)27(35)32-12-14-36-15-13-32/h1-7,18H,8-17H2,(H2,30,34)" . "OCC1=C(CCN(C1)CC1CCCCCCC1)n1c(=O)n(c2c1cccc2)CC" . "OCC1=C(CCN(C1)CC1CCCCCCC1)n1c(=O)n(c2c1cccc2)CC" . "DCRGHMJXEBSRQG-UHFFFAOYSA-N" . "InChI=1S/C24H35N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19,28H,2-7,10-11,14-18H2,1H3" . "NCc1ccc(cc1c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)OC)C(=O)Nc1ccncc1F" . "NCc1ccc(cc1c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)OC)C(=O)Nc1ccncc1F" . "MXWDBTLNBKIMEX-UHFFFAOYSA-N" . "InChI=1S/C28H23FN4O4/c1-37-28(36)17-7-9-22(10-8-17)32-26(34)19-4-2-3-18(13-19)23-14-20(5-6-21(23)15-30)27(35)33-25-11-12-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)" . "N#Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)Nc1ccc(cc1)C#N" . "N#Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)Nc1ccc(cc1)C#N" . "NKTXGJQCHFJKQJ-UHFFFAOYSA-N" . "InChI=1S/C28H20N6O3/c29-17-19-1-5-21(6-2-19)31-27(35)33-23-9-13-25(14-10-23)37-26-15-11-24(12-16-26)34-28(36)32-22-7-3-20(18-30)4-8-22/h1-16H,(H2,31,33,35)(H2,32,34,36)" . "OC(=O)CC(c1cccc(c1)C1CC1)Nc1ccc(cn1)OCCc1ccc2c(n1)NCCC2" . "OC(=O)CC(c1cccc(c1)C1CC1)Nc1ccc(cn1)OCCc1ccc2c(n1)NCCC2" . "APVMUACUMAKXLA-UHFFFAOYSA-N" . "InChI=1S/C27H30N4O3/c32-26(33)16-24(21-4-1-3-20(15-21)18-6-7-18)31-25-11-10-23(17-29-25)34-14-12-22-9-8-19-5-2-13-28-27(19)30-22/h1,3-4,8-11,15,17-18,24H,2,5-7,12-14,16H2,(H,28,30)(H,29,31)(H,32,33)" . "CCC(C(O)C)Nc1nc(NCc2cnc(cc2C)C)c2c(n1)n(cn2)C(C)C" . "CC[C@@H]([C@H](O)C)Nc1nc(NCc2cnc(cc2C)C)c2c(n1)n(cn2)C(C)C" . "DLPIYBKBHMZCJI-WBVHZDCISA-N" . "InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1" . "OC1CNC(=NC1)Nc1cc(O)cc(c1)C(=O)NCC(=O)NC(c1cc(Br)cc(c1)C(C)(C)C)CC(=O)O" . "OC1CNC(=NC1)Nc1cc(O)cc(c1)C(=O)NCC(=O)N[C@H](c1cc(Br)cc(c1)C(C)(C)C)CC(=O)O" . "YDHAGPCZRFQPOI-NRFANRHFSA-N" . "InChI=1S/C26H32BrN5O6/c1-26(2,3)16-4-14(5-17(27)8-16)21(10-23(36)37)32-22(35)13-28-24(38)15-6-18(9-19(33)7-15)31-25-29-11-20(34)12-30-25/h4-9,20-21,33-34H,10-13H2,1-3H3,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t21-/m0/s1" . "OC(=O)CCCc1oc(c(n1)c1ccc(c(c1)Cl)Cl)c1ccccc1" . "OC(=O)CCCc1oc(c(n1)c1ccc(c(c1)Cl)Cl)c1ccccc1" . "UIADWSXPNFQQCZ-UHFFFAOYSA-N" . "InChI=1S/C19H15Cl2NO3/c20-14-10-9-13(11-15(14)21)18-19(12-5-2-1-3-6-12)25-16(22-18)7-4-8-17(23)24/h1-3,5-6,9-11H,4,7-8H2,(H,23,24)" . "NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C" . "NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C" . "ZUSLEOOZAITYGH-UHFFFAOYSA-N" . "InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3" . "CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)NC(=O)C#C" . "CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)NC(=O)C#C" . "UOGAVVINOTWELT-UHFFFAOYSA-N" . "InChI=1S/C29H23F3N4O2/c1-3-27(37)34-23-12-15-25(16-13-23)36-26(18-24(35-36)14-17-28(38)33-2)21-6-4-19(5-7-21)20-8-10-22(11-9-20)29(30,31)32/h1,4-13,15-16,18H,14,17H2,2H3,(H,33,38)(H,34,37)" . "ONC(=O)c1noc(c1)CCNC(=O)c1ccc(c(c1)Cl)Cl" . "ONC(=O)c1noc(c1)CCNC(=O)c1ccc(c(c1)Cl)Cl" . "JFGOILLZIAIYGA-UHFFFAOYSA-N" . "InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)" . "OC(=O)C=Cc1cc(Br)c(c(c1Br)Br)Br" . "OC(=O)/C=C/c1cc(Br)c(c(c1Br)Br)Br" . "SVJQCVOKYJWUBC-OWOJBTEDSA-N" . "InChI=1S/C9H4Br4O2/c10-5-3-4(1-2-6(14)15)7(11)9(13)8(5)12/h1-3H,(H,14,15)/b2-1+" . "Nc1ncc(nc1)c1nc(N2CCOCC2C)c2c(n1)N1CCOCC1C2" . "Nc1ncc(nc1)c1nc(N2CCOC[C@H]2C)c2c(n1)N1CCOC[C@H]1C2" . "KUZSBKJSGSKPJH-VXGBXAGGSA-N" . "InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)17-13-6-12-10-27-5-3-25(12)18(13)23-16(22-17)14-7-21-15(19)8-20-14/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,21)/t11-,12-/m1/s1" . "CCCCC1CCCN1C(=O)C1CCCC(C1)c1cccc(c1)n1ncc(c1C1CC1)C(=O)O" . "CCCCC1CCCN1C(=O)[C@@H]1CCC[C@@H](C1)c1cccc(c1)n1ncc(c1C1CC1)C(=O)O" . "UHBPMQISVQNVGD-PDOMDSBESA-N" . "InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23?/m0/s1" . "OC(=O)C1CCN(C1)c1ccc(c2c1cccc2)NS(=O)(=O)c1c(C)c(C)cc(c1C)C" . "OC(=O)[C@H]1CCN(C1)c1ccc(c2c1cccc2)NS(=O)(=O)c1c(C)c(C)cc(c1C)C" . "BVYWIQHJXAEJOD-IBGZPJMESA-N" . "InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1" . "CCc1cc(cc(c1)S(=O)(=O)c1cnc(s1)CN)c1cnn(c1)C" . "CCc1cc(cc(c1)S(=O)(=O)c1cnc(s1)CN)c1cnn(c1)C" . "VIYHDQCOPYIJMF-UHFFFAOYSA-N" . "InChI=1S/C16H18N4O2S2/c1-3-11-4-12(13-8-19-20(2)10-13)6-14(5-11)24(21,22)16-9-18-15(7-17)23-16/h4-6,8-10H,3,7,17H2,1-2H3" . "NCc1ccc(s1)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)C)c1ccccc1" . "NCc1ccc(s1)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)C)c1ccccc1" . "ADIBEGOVRYXDOX-UHFFFAOYSA-N" . "InChI=1S/C18H17NO4S3/c1-25(20,21)16-9-14(13-5-3-2-4-6-13)10-17(11-16)26(22,23)18-8-7-15(12-19)24-18/h2-11H,12,19H2,1H3" . "CCCCCCC1=C(c2ccccc2)C2(C(C1)C(O)CC2)C(=C)c1ccccc1" . "CCCCCCC1=C(c2ccccc2)[C@]2(C(C1)[C@H](O)CC2)C(=C)c1ccccc1" . "ZFXMYHPLTQTTFW-XZSHQJGLSA-N" . "InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25?,26-,28+/m1/s1" . "CCCCCCC1=C(c2ccccc2)C2(C(C1)C(CC2)NS(=O)(=O)N)C(=C)c1ccccc1" . "CCCCCCC1=C(c2ccccc2)[C@]2(C(C1)[C@H](CC2)NS(=O)(=O)N)C(=C)c1ccccc1" . "COQCBADNBTZWQG-KKGVWULHSA-N" . "InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1" . "COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C" . "COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C" . "BWEJNHRMGZUMNU-UHFFFAOYSA-N" . "InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)" . "Cc1ccc2c(c1C#Cc1cnc3n1nccc3)onc2Nc1cccc(c1)C(F)(F)F" . "Cc1ccc2c(c1C#Cc1cnc3n1nccc3)onc2Nc1cccc(c1)C(F)(F)F" . "GDBAAUWGHRTFSE-UHFFFAOYSA-N" . "InChI=1S/C23H14F3N5O/c1-14-7-9-19-21(18(14)10-8-17-13-27-20-6-3-11-28-31(17)20)32-30-22(19)29-16-5-2-4-15(12-16)23(24,25)26/h2-7,9,11-13H,1H3,(H,29,30)" . "CNCc1ccccc1c1csc(c1)C(Nc1nc(C)nc2c1cc(OC)c(c2)OC)C" . "CNCc1ccccc1c1csc(c1)[C@H](Nc1nc(C)nc2c1cc(OC)c(c2)OC)C" . "WEGLOYDTDILXDA-OAHLLOKOSA-N" . "InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1" . "COc1nc(cnc1C(=O)C1CC1C(=O)O)N(c1cc(Cl)c(cc1F)F)CC(F)(C)C" . "COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(=O)O)N(c1cc(Cl)c(cc1F)F)CC(F)(C)C" . "RVMWIVNHZMXEHS-UWVGGRQHSA-N" . "InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1" . "Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CCC(CC2)N1CCCC1" . "Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CC[C@H](CC2)N1CCCC1" . "KXMZDGSRSGHMMK-VWLOTQADSA-N" . "InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1" . "Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O" . "Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O" . "FTVWIRXFELQLPI-UHFFFAOYSA-N" . "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(nc1N(CCN(C)C)C)OCC(F)(F)F" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(nc1N(CCN(C)C)C)OCC(F)(F)F" . "GHKOONMJXNWOIW-UHFFFAOYSA-N" . "InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35)" . "CNC(=O)c1nccc(c1)COc1nnc(c2c1occ2)Nc1ccc(cc1)Cl" . "CNC(=O)c1nccc(c1)COc1nnc(c2c1occ2)Nc1ccc(cc1)Cl" . "QFCXANHHBCGMAS-UHFFFAOYSA-N" . "InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)" . "COc1ccc2c(c1)nccc2Oc1ccc2c(c1)cccc2C(=O)Nc1ccccc1N" . "COc1ccc2c(c1)nccc2Oc1ccc2c(c1)cccc2C(=O)Nc1ccccc1N" . "BRKWREZNORONDU-UHFFFAOYSA-N" . "InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)" . "CC(NC(=O)C1CCC(CC1)n1c(NC(=O)c2ccc(cc2)F)nc2c1cc(cc2)CN1CCC(CC1)C(O)(C)C)C" . "CC(NC(=O)C1CCC(CC1)n1c(NC(=O)c2ccc(cc2)F)nc2c1cc(cc2)CN1CCC(CC1)C(O)(C)C)C" . "WSTUJEXAPHIEIM-UHFFFAOYSA-N" . "InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)" . "O=C(c1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2)N1CCN(CC1)CC1CC1" . "O=C(c1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2)N1CCN(CC1)CC1CC1" . "XAYGBKHKBBXDAK-UHFFFAOYSA-N" . "InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C" . "GKNPSSNBBWDAGH-UHFFFAOYSA-N" . "InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1" . "C=CC(=O)Nc1cc(Nc2ncc(c(n2)c2cn(c3c2cccc3)C)C(=O)OC(C)C)c(cc1N(CCN(C)C)C)OC" . "C=CC(=O)Nc1cc(Nc2ncc(c(n2)c2cn(c3c2cccc3)C)C(=O)OC(C)C)c(cc1N(CCN(C)C)C)OC" . "AZSRSNUQCUDCGG-UHFFFAOYSA-N" . "InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)" . "CN(CC=CC(=O)Nc1ccc(nc1)C(=O)NC1(C)CCCC(C1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C" . "CN(C/C=C/C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C" . "SCJNYBYSTCRPAO-LXBQGUBHSA-N" . "InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1" . "COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1" . "COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1" . "NVWKNQGHVMMAJW-UHFFFAOYSA-N" . "InChI=1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3" . "FC1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC1CC(C2)C3" . "FC1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC1CC(C2)C3" . "RDWGXWFRQYUDIZ-UHFFFAOYSA-N" . "InChI=1S/C29H40FNO5/c30-26-7-11-31(12-8-26)13-14-32-27-3-1-22(2-4-27)23-5-9-28(10-6-23)33-35-29(36-34-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-26H,5-19H2" . "C=CC(=O)N1CCCC(C1)c1ccc(c2c1cc[nH]2)C(=O)N" . "C=CC(=O)N1CCC[C@H](C1)c1ccc(c2c1cc[nH]2)C(=O)N" . "UNHZLHSLZZWMNP-LLVKDONJSA-N" . "InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1" . "CC1(C)CC(CC(C1)(C)C)c1ccccc1N1CCN(CC1)CC1CC1" . "CC1(C)CC(CC(C1)(C)C)c1ccccc1N1CCN(CC1)CC1CC1" . "PGWIKFFLIJECAM-UHFFFAOYSA-N" . "InChI=1S/C24H38N2/c1-23(2)15-20(16-24(3,4)18-23)21-7-5-6-8-22(21)26-13-11-25(12-14-26)17-19-9-10-19/h5-8,19-20H,9-18H2,1-4H3" . "CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "HCNNJLLLMSVTFH-UHFFFAOYSA-N" . "InChI=1S/C28H28F6N4O/c1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34/h4-7,12-16H,8-11,17H2,1-3H3" . "CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccccc1" . "CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccccc1" . "ORRNXRYWGDUDOG-UHFFFAOYSA-N" . "InChI=1S/C27H23FN4O4S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,29,34)(H2,31,32,33,37)" . "O=C(C1CC1(F)F)N1C2CCC1CN(C2)c1ccnc(n1)Nc1cnn(c1)C" . "O=C([C@@H]1CC1(F)F)N1[C@@H]2CC[C@H]1CN(C2)c1ccnc(n1)Nc1cnn(c1)C" . "BUWBRTXGQRBBHG-MJBXVCDLSA-N" . "InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1" . "N#CCCN1C2CCC1CC(C2)Nc1nc(Nc2n[nH]c(c2)C)cc2c1cccn2" . "N#CCCN1[C@@H]2CC[C@H]1CC(C2)Nc1nc(Nc2n[nH]c(c2)C)cc2c1cccn2" . "DADAEARVGOQWHV-ALOPSCKCSA-N" . "InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15?,16-,17+" . "C=CC(=O)N(CCOc1c(N)ncnc1c1cc(F)cc(c1C)NC(=O)c1ccc(cc1F)C1CC1)C" . "C=CC(=O)N(CCOc1c(N)ncnc1c1cc(F)cc(c1C)NC(=O)c1ccc(cc1F)C1CC1)C" . "CUABMPOJOBCXJI-UHFFFAOYSA-N" . "InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)" . "COc1cc2ncnc(c2cc1OC(=O)N1CCN(CC1C)C)Nc1cccc(c1F)Cl" . "COc1cc2ncnc(c2cc1OC(=O)N1CCN(C[C@H]1C)C)Nc1cccc(c1F)Cl" . "MXDSJQHFFDGFDK-CYBMUJFWSA-N" . "InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1" . "CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O" . "CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O" . "YJQZYXCXBBCEAQ-UHFFFAOYSA-N" . "InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3" . "CNCC1OCCc2c1scc2" . "CNC[C@@H]1OCCc2c1scc2" . "ABDDQTDRAHXHOC-QMMMGPOBSA-N" . "InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1" . "c1ccc(cc1)c1ncc2c(n1)ccc(c2)n1cncc1" . "c1ccc(cc1)c1ncc2c(n1)ccc(c2)n1cncc1" . "CSZGXYBGYFNSCO-UHFFFAOYSA-N" . "InChI=1S/C17H12N4/c1-2-4-13(5-3-1)17-19-11-14-10-15(6-7-16(14)20-17)21-9-8-18-12-21/h1-12H" . "CCc1cc(F)c2c(c1)c(C)c(c(n2)N1CCC(CC1)NC1CCOCC1)c1onc(n1)C" . "CCc1cc(F)c2c(c1)c(C)c(c(n2)N1CCC(CC1)NC1CCOCC1)c1onc(n1)C" . "CQOJHAJWCDJEAT-UHFFFAOYSA-N" . "InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3" . "OC(=O)Cc1ccc(cc1)Cc1cc(nc(c1)C(F)(F)F)c1cccc(c1)Cl" . "OC(=O)Cc1ccc(cc1)Cc1cc(nc(c1)C(F)(F)F)c1cccc(c1)Cl" . "LTSUMTMGJHPGFX-UHFFFAOYSA-N" . "InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)" . "[O-]C(=O)CC(c1cccc(c1)n1nc(cc1C)C)C[N+]1(C)CCC(C1)CCc1ccc2c(n1)NCCC2" . "[O-]C(=O)C[C@@H](c1cccc(c1)n1nc(cc1C)C)C[N@@+]1(C)CC[C@H](C1)CCc1ccc2c(n1)NCCC2" . "BXOSGYRJKCYDLH-YAYCEGLDSA-N" . "InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1" . "N#Cc1nccc(c1)COc1cc(OCc2cccc(c2Br)c2ccccc2)c(cc1CN1CCCCC1C(=O)O)Cl" . "N#Cc1nccc(c1)COc1cc(OCc2cccc(c2Br)c2ccccc2)c(cc1CN1CCCC[C@H]1C(=O)O)Cl" . "YYAPLXNCTNGBJO-LJAQVGFWSA-N" . "InChI=1S/C33H29BrClN3O4/c34-32-24(9-6-10-27(32)23-7-2-1-3-8-23)21-42-31-17-30(41-20-22-12-13-37-26(15-22)18-36)25(16-28(31)35)19-38-14-5-4-11-29(38)33(39)40/h1-3,6-10,12-13,15-17,29H,4-5,11,14,19-21H2,(H,39,40)/t29-/m0/s1" . "CC(=O)N(c1ccc(cc1)Cl)C1=CC(=O)CCC1" . "CC(=O)N(c1ccc(cc1)Cl)C1=CC(=O)CCC1" . "UOYMKJRPIIMBTR-UHFFFAOYSA-N" . "InChI=1S/C14H14ClNO2/c1-10(17)16(12-7-5-11(15)6-8-12)13-3-2-4-14(18)9-13/h5-9H,2-4H2,1H3" . "O=C(Nc1cccnc1)COc1ccc(cc1)C(=O)c1cccc(c1)Cl" . "O=C(Nc1cccnc1)COc1ccc(cc1)C(=O)c1cccc(c1)Cl" . "KKKJYDOHVKIIQP-UHFFFAOYSA-N" . "InChI=1S/C20H15ClN2O3/c21-16-4-1-3-15(11-16)20(25)14-6-8-18(9-7-14)26-13-19(24)23-17-5-2-10-22-12-17/h1-12H,13H2,(H,23,24)" . "COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC" . "COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC" . "WRZVGHXUPBWIOO-UHFFFAOYSA-N" . "InChI=1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3" . "O=C(CN1C(=O)NC(C1=O)(C)C1CC1)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)Br" . "O=C(CN1C(=O)NC(C1=O)(C)C1CC1)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)Br" . "CDJMQOCUCVPNIU-UHFFFAOYSA-N" . "InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)" . "COC(=O)c1cccc(c1)CSc1nc(N)c(c(c1C#N)c1ccco1)C#N" . "COC(=O)c1cccc(c1)CSc1nc(N)c(c(c1C#N)c1ccco1)C#N" . "IKBOAPCYYHRBSI-UHFFFAOYSA-N" . "InChI=1S/C20H14N4O3S/c1-26-20(25)13-5-2-4-12(8-13)11-28-19-15(10-22)17(16-6-3-7-27-16)14(9-21)18(23)24-19/h2-8H,11H2,1H3,(H2,23,24)" . "COc1cc(OCc2cccc(c2)OCc2ccccc2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "COc1cc(OCc2cccc(c2)OCc2ccccc2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "LFOIDLOIBZFWDO-UHFFFAOYSA-N" . "InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1cc(OCC2(C)COC2)c2c(c1)c(C)ncn2" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1cc(OCC2(C)COC2)c2c(c1)c(C)ncn2" . "CPUXOJVJEJZOSP-UHFFFAOYSA-N" . "InChI=1S/C26H24F2N4O5S/c1-15-19-6-16(8-22(24(19)31-14-30-15)37-13-26(2)11-36-12-26)17-7-21(25(35-3)29-10-17)32-38(33,34)23-5-4-18(27)9-20(23)28/h4-10,14,32H,11-13H2,1-3H3" . "OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F" . "OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F" . "KKHDNAZPEMYUNO-UHFFFAOYSA-N" . "InChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29)" . "N#Cc1ccc(cc1Cl)c1ccn(n1)CC(NC(=O)c1n[nH]c(c1)C(O)C)C" . "N#Cc1ccc(cc1Cl)c1ccn(n1)C[C@@H](NC(=O)c1n[nH]c(c1)C(O)C)C" . "BLIJXOOIHRSQRB-PXYINDEMSA-N" . "InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1" . "Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1ccc(s1)C(=O)c1cc(F)c(c(c1F)O)F" . "Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1ccc(s1)C(=O)c1cc(F)c(c(c1F)O)F" . "CHVVDDGGNOHSOG-UHFFFAOYSA-N" . "InChI=1S/C23H13F4NO4S2/c24-12-5-7-13(8-6-12)34(31,32)28-17-4-2-1-3-14(17)18-9-10-19(33-18)22(29)15-11-16(25)21(27)23(30)20(15)26/h1-11,28,30H" . "CNC(=O)CC1NCC(C(C1)c1ccc(c(c1)F)F)NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl" . "CNC(=O)C[C@H]1NC[C@H]([C@@H](C1)c1ccc(c(c1)F)F)NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl" . "SXDPQGRNHSLZPC-ZJNRKIDTSA-N" . "InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1" . "COc1cc2c(cc1OC)CCn1c2cc(=Nc2c(C)cc(cc2C)C)n(c1=O)C" . "COc1cc2c(cc1OC)CCn1c2cc(=Nc2c(C)cc(cc2C)C)n(c1=O)C" . "MCMSJVMUSBZUCN-UHFFFAOYSA-N" . "InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3" . "CCCCc1nn2c(c1)c(N)nc1c2cccc1" . "CCCCc1nn2c(c1)c(N)nc1c2cccc1" . "YMNPLUINBRDMEW-UHFFFAOYSA-N" . "InChI=1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)" . "[O]#C[Co]1(C#[O])(C#[O])C2C1([Co]2(C#[O])(C#[O])C#[O])CNc1ccc(cc1)S(=O)(=O)N" . "[O]#C[Co]1(C#[O])(C#[O])C2C1([Co]2(C#[O])(C#[O])C#[O])CNc1ccc(cc1)S(=O)(=O)N" . "QMTFSGDBEOQNOF-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O2S.6CO.2Co/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13;6*1-2;;/h1,3-6,11H,7H2,(H2,10,12,13);;;;;;;;" . "C#CCNc1ccc(cc1)S(=O)(=O)N" . "C#CCNc1ccc(cc1)S(=O)(=O)N" . "HPRYFTLQNXBKDM-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h1,3-6,11H,7H2,(H2,10,12,13)" . "CNC(=O)c1nnc(cc1Nc1cccc(c1OC)c1ncn(n1)C)NC(=O)C1CC1" . "COc1c(cccc1c1ncn(n1)C)Nc1cc(nnc1C(=O)NC([2H])([2H])[2H])NC(=O)C1CC1" . "BZZKEPGENYLQSC-FIBGUPNXSA-N" . "InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3" . "Cc1cc(nn1c1ccc2c(c1)cccc2)OCCN1CCOCC1" . "Cc1cc(nn1c1ccc2c(c1)cccc2)OCCN1CCOCC1" . "DGPGXHRHNRYVDH-UHFFFAOYSA-N" . "InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3" . "O=C(c1nccc(c1)n1cnc(c1)C1CC1)Nc1cccc(c1)c1nncn1C1CC1" . "O=C(c1nccc(c1)n1cnc(c1)C1CC1)Nc1cccc(c1)c1nncn1C1CC1" . "ZGCMQKWOUIMBEP-UHFFFAOYSA-N" . "InChI=1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31)" . "Fc1ccc2c(c1)C(=C1SC(=Nc3ccccc3Cl)NC1=O)C(=O)N2" . "Fc1ccc2c(c1)/C(=C/1/S/C(=N/c3ccccc3Cl)/NC1=O)/C(=O)N2" . "HNOFQKYBQYGFNQ-YPKPFQOOSA-N" . "InChI=1S/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7H,(H,20,23)(H,21,22,24)/b14-13-" . "COc1cc2cn[nH]c2cc1c1ccc(c2c1ncc(c2N)C(=O)N)F" . "COc1cc2cn[nH]c2cc1c1ccc(c2c1ncc(c2N)C(=O)N)F" . "RFCJOYPMBVRHBV-UHFFFAOYSA-N" . "InChI=1S/C18H14FN5O2/c1-26-14-4-8-6-23-24-13(8)5-10(14)9-2-3-12(19)15-16(20)11(18(21)25)7-22-17(9)15/h2-7H,1H3,(H2,20,22)(H2,21,25)(H,23,24)" . "Fc1ccc(cc1)c1noc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)C" . "Fc1ccc(cc1)c1noc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)C" . "VCGRFBXVSFAGGA-UHFFFAOYSA-N" . "InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3" . "O=C1c2nc3ccccc3c(=O)n2c2c1cccc2" . "O=C1c2nc3ccccc3c(=O)n2c2c1cccc2" . "VQQVWGVXDIPORV-UHFFFAOYSA-N" . "InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H" . "FC(c1cc2cnc(nc2n(c1=O)C1CCCC1(C)O)NC1CCN(CC1)S(=O)(=O)C)F" . "FC(c1cc2cnc(nc2n(c1=O)[C@@H]1CCC[C@@]1(C)O)NC1CCN(CC1)S(=O)(=O)C)F" . "QIEKHLDZKRQLLN-FOIQADDNSA-N" . "InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1" . "COc1nc(NC2CCC(CC2)N)c(cc1C(=O)N)F" . "COc1nc(N[C@@H]2CC[C@H](CC2)N)c(cc1C(=O)N)F" . "IMZIJLMIOSQRGE-ZKCHVHJHSA-N" . "InChI=1S/C13H19FN4O2/c1-20-13-9(11(16)19)6-10(14)12(18-13)17-8-4-2-7(15)3-5-8/h6-8H,2-5,15H2,1H3,(H2,16,19)(H,17,18)/t7-,8-" . "Clc1ccc(nc1)Oc1ccc(cc1Cl)NC(=O)c1ccccn1" . "Clc1ccc(nc1)Oc1ccc(cc1Cl)NC(=O)c1ccccn1" . "MZRLPXFGQKQHST-UHFFFAOYSA-N" . "InChI=1S/C17H11Cl2N3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14/h1-10H,(H,22,23)" . "COc1c(cccc1B(O)O)c1nc2ccc3c(c2c2c1CCC2)cn[nH]3" . "COc1c(cccc1B(O)O)c1nc2ccc3c(c2c2c1CCC2)cn[nH]3" . "WTZMCUOBQPTERK-UHFFFAOYSA-N" . "InChI=1S/C20H18BN3O3/c1-27-20-13(6-3-7-15(20)21(25)26)19-12-5-2-4-11(12)18-14-10-22-24-16(14)8-9-17(18)23-19/h3,6-10,25-26H,2,4-5H2,1H3,(H,22,24)" . "CC1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2" . "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2" . "QSKQVZWVLOIIEV-NSHDSACASA-N" . "InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1" . "Fc1ccc(cc1)C(=O)N1CCn2c(C1C)nnc2c1snc(n1)C" . "Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C" . "PPSNFPASKFYPMN-SECBINFHSA-N" . "InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1ccc(c(c1)OC(F)(F)F)Cl" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1ccc(c(c1)OC(F)(F)F)Cl" . "UNQYAAAWKOOBFQ-UHFFFAOYSA-N" . "InChI=1S/C23H19Cl2F3N4O5/c1-30-19-18(20(34)31(22(30)35)9-2-10-33)32(12-13-3-5-14(24)6-4-13)21(29-19)36-15-7-8-16(25)17(11-15)37-23(26,27)28/h3-8,11,33H,2,9-10,12H2,1H3" . "COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=O)Cc1ccc(c(c1)C(F)(F)F)Cl" . "COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=O)Cc1ccc(c(c1)C(F)(F)F)Cl" . "YOHLRCOPRAVUCJ-UHFFFAOYSA-N" . "InChI=1S/C26H20ClF3N2O4/c1-34-23-13-18-21(14-24(23)35-2)31-10-9-22(18)36-17-6-4-16(5-7-17)32-25(33)12-15-3-8-20(27)19(11-15)26(28,29)30/h3-11,13-14H,12H2,1-2H3,(H,32,33)" . "OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2" . "OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2" . "UHDOJINBFLDQJM-UHFFFAOYSA-N" . "InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)" . "CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC(C(CNC(c1ccccc1)C)O)Cc1ccccc1" . "CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N[C@H]([C@@H](CN[C@@H](c1ccccc1)C)O)Cc1ccccc1" . "NCNJHAHPOUUEQX-LDVROUIZSA-N" . "InChI=1S/C31H38N4O3/c1-23(25-11-7-4-8-12-25)32-22-29(36)28(21-24-9-5-3-6-10-24)33-30(37)26-13-15-27(16-14-26)31(38)35-19-17-34(2)18-20-35/h3-16,23,28-29,32,36H,17-22H2,1-2H3,(H,33,37)/t23-,28+,29-/m1/s1" . "OCC1CCCN1C1CC=C(CC1C)c1cnc2c(n1)n(nc2C#N)C(c1ccc(cc1Cl)Cl)C" . "OC[C@@H]1CCCN1[C@H]1CC=C(C[C@H]1C)c1cnc2c(n1)n(nc2C#N)[C@@H](c1ccc(cc1Cl)Cl)C" . "KQZLRWGGWXJPOS-NLFPWZOASA-N" . "InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24+/m1/s1" . "COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl" . "COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl" . "YTEVTHHGQMUPHC-UHFFFAOYSA-N" . "InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)" . "O=C(Nc1n(C)nc(c1c1ccc(cc1F)Cl)C)Cn1c(nc2c1cccc2)C(C)C" . "O=C(Nc1n(C)nc(c1c1ccc(cc1F)Cl)C)Cn1c(nc2c1cccc2)C(C)C" . "AXHVMTZWSKDPRR-UHFFFAOYSA-N" . "InChI=1S/C23H23ClFN5O/c1-13(2)22-26-18-7-5-6-8-19(18)30(22)12-20(31)27-23-21(14(3)28-29(23)4)16-10-9-15(24)11-17(16)25/h5-11,13H,12H2,1-4H3,(H,27,31)" . "COc1cc(NC(CCCNC(=C2CCOC2=O)C)C)c2c(c1)cccn2" . "COc1cc(NC(CCCN/C(=C/2/CCOC2=O)/C)C)c2c(c1)cccn2" . "ADCOUXIGWFEYJP-OBGWFSINSA-N" . "InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15+" . "CCCc1cc(F)ccc1C(c1ncc[nH]1)O" . "CCCc1cc(F)ccc1[C@@H](c1ncc[nH]1)O" . "IDFPQEHZYBXIFO-LBPRGKRZSA-N" . "InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1" . "OP(=O)(OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2)O" . "OP(=O)(OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2)O" . "MJLYDVMFNHZMLV-UHFFFAOYSA-N" . "InChI=1S/C21H23N4O7PS2/c1-21(2,3)35(29,30)19-9-14-15(10-17(19)31-6-7-32-33(26,27)28)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-34-18/h4-5,8-12H,6-7H2,1-3H3,(H,22,23,25)(H2,26,27,28)" . "O=C1CC2CC(C1C)OOC2(C)C=Cc1ccc(cc1C(F)(F)F)C(F)(F)F" . "O=C1C[C@H]2C[C@@H]([C@@H]1C)OO[C@@]2(C)/C=C/c1ccc(cc1C(F)(F)F)C(F)(F)F" . "LRTRTVPZZJAADL-DAHZFVMQSA-N" . "InChI=1S/C19H18F6O3/c1-10-15(26)8-13-9-16(10)27-28-17(13,2)6-5-11-3-4-12(18(20,21)22)7-14(11)19(23,24)25/h3-7,10,13,16H,8-9H2,1-2H3/b6-5-/t10-,13+,16+,17+/m1/s1" . "COc1ccc(cc1)C(C(C(=O)NC(C(=O)C1(C)CO1)CC1=CCCC1)NC(=O)C(NC(=O)CN1CCOCC1)C)O" . "COc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)CC1=CCCC1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)C)O" . "GHYOCDFICYLMRF-UTIIJYGPSA-N" . "InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1" . "CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C" . "CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C" . "FFHBJDQSGDNCIV-MFVUMRCOSA-N" . "InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1" . "OCCc1sc[n+](c1C)CCCCCCCCCCCC[n+]1csc(c1C)CCO" . "OCCc1sc[n+](c1C)CCCCCCCCCCCC[n+]1csc(c1C)CCO" . "UZPXHZIQHWKNPF-UHFFFAOYSA-N" . "InChI=1S/C24H42N2O2S2/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2/h19-20,27-28H,3-18H2,1-2H3/q+2" . "Clc1cc2OCCOCCNc3nc4c(c(c1)c2)cnn4cc3" . "Clc1cc2OCCOCCNc3nc4c(c(c1)c2)cnn4cc3" . "KTSDBMVHAKWDRK-UHFFFAOYSA-N" . "InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)" . "Clc1ccc(cc1C(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1" . "Clc1ccc(cc1C(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1" . "CLAUJSRBKSRTGQ-UHFFFAOYSA-N" . "InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)" . "CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(C(=O)O)NC(=O)C(C1CCCCC1)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccn2)NC(=O)C(NC(=O)C(C(C)(C)C)NC(=O)C(N(C(=O)C1CC(=O)NCCCCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)O)C(C)C)C)CC(=O)O)Cc1ccc(cc1)O)CCC(=O)O)Cc1ccc(cc1)O" . "CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](C1CCCCC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccn2)NC(=O)[C@@H](NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](N(C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)O)C(C)C)C)CC(=O)O)Cc1ccc(cc1)O)CCC(=O)O)Cc1ccc(cc1)O" . "JDXCOXKBIGBZSK-PSNKNOTQSA-N" . "InChI=1S/C172H278N24O55/c1-9-10-11-12-13-14-15-16-17-18-19-20-27-44-146(202)182-136(170(226)227)53-56-144(200)177-64-67-229-69-71-231-73-75-233-77-79-235-81-83-237-85-87-239-89-91-241-93-95-243-97-99-245-101-103-247-105-107-249-109-111-251-113-112-250-110-108-248-106-104-246-102-100-244-98-96-242-94-92-240-90-88-238-86-84-236-82-80-234-78-76-232-74-72-230-70-68-228-66-59-145(201)175-60-31-29-41-135(169(224)225)186-165(220)152(126-37-25-22-26-38-126)193-162(217)142-43-34-65-196(142)168(223)140(116-125-47-51-129(199)52-48-125)190-157(212)133(54-57-148(204)205)184-161(216)139(117-127-120-180-154-130(127)39-32-62-178-154)188-159(214)138(115-124-45-49-128(198)50-46-124)189-166(221)153(172(5,6)7)194-163(218)143(119-150(208)209)195(8)167(222)141-118-147(203)176-61-30-28-40-131(181-122(4)197)158(213)192-151(121(2)3)164(219)185-134(55-58-149(206)207)156(211)183-132(42-33-63-179-171(173)174)155(210)187-137(160(215)191-141)114-123-35-23-21-24-36-123/h21,23-24,32,35-36,39,45-52,62,120-121,126,131-143,151-153,198-199H,9-20,22,25-31,33-34,37-38,40-44,53-61,63-119H2,1-8H3,(H,175,201)(H,176,203)(H,177,200)(H,178,180)(H,181,197)(H,182,202)(H,183,211)(H,184,216)(H,185,219)(H,186,220)(H,187,210)(H,188,214)(H,189,221)(H,190,212)(H,191,215)(H,192,213)(H,193,217)(H,194,218)(H,204,205)(H,206,207)(H,208,209)(H,224,225)(H,226,227)(H4,173,174,179)/t131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,151-,152-,153+/m0/s1" . "COc1cc(ccc1OC)c1cnc2c(c1)c(C#Cc1cccnc1)c[nH]2" . "COc1cc(ccc1OC)c1cnc2c(c1)c(C#Cc1cccnc1)c[nH]2" . "CJTVDIBZBUWIFC-UHFFFAOYSA-N" . "InChI=1S/C22H17N3O2/c1-26-20-8-7-16(11-21(20)27-2)18-10-19-17(13-24-22(19)25-14-18)6-5-15-4-3-9-23-12-15/h3-4,7-14H,1-2H3,(H,24,25)" . "COc1n[nH]c2c1cc(cn2)c1nnn(c1)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)c1ccccc1" . "COc1n[nH]c2c1cc(cn2)c1nnn(c1)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)c1ccccc1" . "QRDCOOSKIFYKIQ-UHFFFAOYSA-N" . "InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)" . "O=C(Nc1cc(ccc1F)Oc1ccc2c(c1)sc(n2)NC(=O)C1CC1)Nc1cccc(c1)Br" . "O=C(Nc1cc(ccc1F)Oc1ccc2c(c1)sc(n2)NC(=O)C1CC1)Nc1cccc(c1)Br" . "RIVQMLWSKYAVFY-UHFFFAOYSA-N" . "InChI=1S/C24H18BrFN4O3S/c25-14-2-1-3-15(10-14)27-23(32)28-20-11-16(6-8-18(20)26)33-17-7-9-19-21(12-17)34-24(29-19)30-22(31)13-4-5-13/h1-3,6-13H,4-5H2,(H2,27,28,32)(H,29,30,31)" . "O=CN1CCc2c(C1CCc1c[nH]c3c1ccc(c3)C)cc(c(c2)OC)OC" . "O=CN1CCc2c([C@@H]1CCc1c[nH]c3c1ccc(c3)C)cc(c(c2)OC)OC" . "OIDQRHGTWLIKKZ-NRFANRHFSA-N" . "InChI=1S/C23H26N2O3/c1-15-4-6-18-17(13-24-20(18)10-15)5-7-21-19-12-23(28-3)22(27-2)11-16(19)8-9-25(21)14-26/h4,6,10-14,21,24H,5,7-9H2,1-3H3/t21-/m0/s1" . "CCC(N(C(=O)N(c1ccc(cc1)Cl)C)C)c1ccc(cc1)C" . "CCC(N(C(=O)N(c1ccc(cc1)Cl)C)C)c1ccc(cc1)C" . "YPDVKFTYHRFBSZ-UHFFFAOYSA-N" . "InChI=1S/C19H23ClN2O/c1-5-18(15-8-6-14(2)7-9-15)22(4)19(23)21(3)17-12-10-16(20)11-13-17/h6-13,18H,5H2,1-4H3" . "O=C(OCC(Oc1ccc(cc1)C(=C)C1COC2(OO1)C1CC3CC2CC(C1)C3)(C)C)CCC(=O)O" . "O=C(OCC(Oc1ccc(cc1)C(=C)C1COC2(OO1)C1CC3CC2CC(C1)C3)(C)C)CCC(=O)O" . "LKAAAECAYCDCQW-UHFFFAOYSA-N" . "InChI=1S/C28H36O8/c1-17(24-15-33-28(36-35-24)21-11-18-10-19(13-21)14-22(28)12-18)20-4-6-23(7-5-20)34-27(2,3)16-32-26(31)9-8-25(29)30/h4-7,18-19,21-22,24H,1,8-16H2,2-3H3,(H,29,30)" . "C1CN=C(N1)Cc1cccc2c1cccc2" . "C1CN=C(N1)Cc1cccc2c1cccc2" . "CNIIGCLFLJGOGP-UHFFFAOYSA-N" . "InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)" . "Clc1ccc2c(c1)nccc2Nc1cc(CNC(C)(C)C)c(c2c1CCCC2)O" . "Clc1ccc2c(c1)nccc2Nc1cc(CNC(C)(C)C)c(c2c1CCCC2)O" . "VEVMYTDOWUQLGI-UHFFFAOYSA-N" . "InChI=1S/C24H28ClN3O/c1-24(2,3)27-14-15-12-22(17-6-4-5-7-18(17)23(15)29)28-20-10-11-26-21-13-16(25)8-9-19(20)21/h8-13,27,29H,4-7,14H2,1-3H3,(H,26,28)" . "Oc1c(CNC(C)(C)C)cc(cc1c1cnc(c(c1)F)C(F)(F)F)C(C)(C)C" . "Oc1c(CNC(C)(C)C)cc(cc1c1cnc(c(c1)F)C(F)(F)F)C(C)(C)C" . "DYULPLHABFGTOQ-UHFFFAOYSA-N" . "InChI=1S/C21H26F4N2O/c1-19(2,3)14-7-13(11-27-20(4,5)6)17(28)15(9-14)12-8-16(22)18(26-10-12)21(23,24)25/h7-10,27-28H,11H2,1-6H3" . "Cc1cc(cc(c1)C(=O)N(C(c1ccccc1)C)C)C(=O)NC(C(CNCc1cccc(c1)C(F)(F)F)O)Cc1ccccc1" . "Cc1cc(cc(c1)C(=O)N([C@@H](c1ccccc1)C)C)C(=O)N[C@H]([C@@H](CNCc1cccc(c1)C(F)(F)F)O)Cc1ccccc1" . "KQGVKXJLEHXBDS-CBHGIOBQSA-N" . "InChI=1S/C36H38F3N3O3/c1-24-17-29(21-30(18-24)35(45)42(3)25(2)28-14-8-5-9-15-28)34(44)41-32(20-26-11-6-4-7-12-26)33(43)23-40-22-27-13-10-16-31(19-27)36(37,38)39/h4-19,21,25,32-33,40,43H,20,22-23H2,1-3H3,(H,41,44)/t25-,32+,33-/m1/s1" . "NCCCC(Nc1cc(OC)c(c2c1nccc2C)Oc1ccc(c(c1)Cl)Cl)C" . "NCCC[C@H](Nc1cc(OC)c(c2c1nccc2C)Oc1ccc(c(c1)Cl)Cl)C" . "UEFVAUCKVCFRDW-CQSZACIVSA-N" . "InChI=1S/C22H25Cl2N3O2/c1-13-8-10-26-21-18(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3/t14-/m1/s1" . "Clc1ccc(cc1)c1cc(cc(c1O)CNC(C)(C)C)Nc1ccnc2c1ccc(c2)Cl" . "Clc1ccc(cc1)c1cc(cc(c1O)CNC(C)(C)C)Nc1ccnc2c1ccc(c2)Cl" . "BCHMRNALCJISMZ-UHFFFAOYSA-N" . "InChI=1S/C26H25Cl2N3O/c1-26(2,3)30-15-17-12-20(14-22(25(17)32)16-4-6-18(27)7-5-16)31-23-10-11-29-24-13-19(28)8-9-21(23)24/h4-14,30,32H,15H2,1-3H3,(H,29,31)" . "CCN(CCCNc1ccnc2c1ccc(c2)Cl)CC" . "CCN(CCCNc1ccnc2c1ccc(c2)Cl)CC" . "NCPLTAGJJVCHOW-UHFFFAOYSA-N" . "InChI=1S/C16H22ClN3/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19)" . "Clc1ccc(cc1)C1CCN(CC1)CCCn1c(=O)c2cccn2c2c1cccc2" . "Clc1ccc(cc1)C1CCN(CC1)CCCn1c(=O)c2cccn2c2c1cccc2" . "WOSMCMULWWHMIV-UHFFFAOYSA-N" . "InChI=1S/C25H26ClN3O/c26-21-10-8-19(9-11-21)20-12-17-27(18-13-20)14-4-16-29-23-6-2-1-5-22(23)28-15-3-7-24(28)25(29)30/h1-3,5-11,15,20H,4,12-14,16-18H2" . "O=C(C1CC1)Nc1nccc(c1)Oc1ccc(c(c1C)C)NC(=O)c1cccn(c1=O)c1ccc(cc1)F" . "O=C(C1CC1)Nc1nccc(c1)Oc1ccc(c(c1C)C)NC(=O)c1cccn(c1=O)c1ccc(cc1)F" . "PETCZXAONWLUFT-UHFFFAOYSA-N" . "InChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)" . "O=C(Nc1cc(ccc1F)Oc1ccc2c(c1)sc(n2)NC(=O)C1CC1)Cc1cccc(c1)C(F)(F)F" . "O=C(Nc1cc(ccc1F)Oc1ccc2c(c1)sc(n2)NC(=O)C1CC1)Cc1cccc(c1)C(F)(F)F" . "SDSQERWTMKMZLA-UHFFFAOYSA-N" . "InChI=1S/C26H19F4N3O3S/c27-19-8-6-17(12-21(19)31-23(34)11-14-2-1-3-16(10-14)26(28,29)30)36-18-7-9-20-22(13-18)37-25(32-20)33-24(35)15-4-5-15/h1-3,6-10,12-13,15H,4-5,11H2,(H,31,34)(H,32,33,35)" . "N#Cc1c(ccc2c1sc(n2)NC(=O)C1CC1)Oc1ccc(c(c1)NC(=O)Cc1cccc(c1)C(F)(F)F)F" . "N#Cc1c(ccc2c1sc(n2)NC(=O)C1CC1)Oc1ccc(c(c1)NC(=O)Cc1cccc(c1)C(F)(F)F)F" . "OJFKUJDRGJSAQB-UHFFFAOYSA-N" . "InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)" . "O=C1C=C2C(=CC=C3C2(C)CCC2(C3(C)CCC3(C2CC(C)(CC3)C(=O)O)C)C)C(=C1O)C" . "O=C1C=C2C(=CC=C3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2C[C@@](C)(CC3)C(=O)O)C)C)C(=C1O)C" . "KQJSQWZMSAGSHN-JJWQIEBTSA-N" . "InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1" . "ClCC(=O)N1CCCC1c1cccc(c1)CC(=O)Nc1cccc(c1)Cl" . "ClCC(=O)N1CCCC1c1cccc(c1)CC(=O)Nc1cccc(c1)Cl" . "ZJGDVCKAHPNDQT-UHFFFAOYSA-N" . "InChI=1S/C20H20Cl2N2O2/c21-13-20(26)24-9-3-8-18(24)15-5-1-4-14(10-15)11-19(25)23-17-7-2-6-16(22)12-17/h1-2,4-7,10,12,18H,3,8-9,11,13H2,(H,23,25)" . "C=CC(=O)N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2F)c1c(O)cccc1F" . "C=CC(=O)N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2F)c1c(O)cccc1F" . "ZRPZPNYZFSJUPA-UHFFFAOYSA-N" . "InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2" . "OC(c1ccc2c(c1C)COC2=O)CN1CCN(CC1)CC(c1ccc2c(c1C)COC2=O)O" . "O[C@H](c1ccc2c(c1C)COC2=O)CN1CCN(CC1)C[C@@H](c1ccc2c(c1C)COC2=O)O" . "OCKGFTQIICXDQW-ZEQRLZLVSA-N" . "InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1" . "NC(=N)NCCOC(c1ccccc1)(c1ccccc1)c1ccccc1" . "NC(=N)NCCOC(c1ccccc1)(c1ccccc1)c1ccccc1" . "FZXFGYLHTRBHNJ-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O/c23-21(24)25-16-17-26-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H4,23,24,25)" . "NC(=N)NCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)C" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)C" . "HIFICJJBGBSZMZ-YWIJTBFMSA-N" . "InChI=1S/C50H66N16O8S/c1-50(25-29-27-60-34-14-5-3-12-32(29)34,65-44(71)38(61-41(68)23-30-10-9-21-75-30)22-28-26-59-33-13-4-2-11-31(28)33)47(74)64-36(16-7-19-58-49(55)56)46(73)66-20-8-17-39(66)45(72)62-35(15-6-18-57-48(53)54)43(70)63-37(42(52)69)24-40(51)67/h2-5,9-14,21,26-27,35-39,59-60H,6-8,15-20,22-25H2,1H3,(H2,51,67)(H2,52,69)(H,61,68)(H,62,72)(H,63,70)(H,64,74)(H,65,71)(H4,53,54,57)(H4,55,56,58)/t35-,36-,37-,38-,39-,50-/m0/s1" . "CCC(Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C" . "CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C" . "LBWQSAZEYIZZCE-SNVBAGLBSA-N" . "InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1" . "COc1ccc(c(c1)C)c1c(C)nn2c1nc(C)cc2NC(c1onc(n1)C)CC" . "COc1ccc(c(c1)C)c1c(C)nn2c1nc(C)cc2N[C@H](c1onc(n1)C)CC" . "VKHVAUKFLBBZFJ-SFHVURJKSA-N" . "InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1" . "CCC(Oc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC" . "CCC(Oc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC" . "ZSEJGVQTBLJRCQ-UHFFFAOYSA-N" . "InChI=1S/C21H29NO2/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3" . "CCC(Nc1c2CCCc2nc2n1nc(c2c1ccc(cc1Cl)OC)C)CC" . "CCC(Nc1c2CCCc2nc2n1nc(c2c1ccc(cc1Cl)OC)C)CC" . "LDIOUQIXNSSOGU-UHFFFAOYSA-N" . "InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3" . "CCCC(N1CCn2c3c1cc(C)nc3c(n2)c1ccc(cc1Cl)Cl)CCC" . "CCCC(N1CCn2c3c1cc(C)nc3c(n2)c1ccc(cc1Cl)Cl)CCC" . "AKLMUGFDGONMAA-UHFFFAOYSA-N" . "InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-10-11-28-22-19(27)12-14(3)25-21(22)20(26-28)17-9-8-15(23)13-18(17)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3" . "O=C(Nc1cccc2c1cccc2)CCCn1nnc(c1)c1c(oc2c1cc(C(=O)O)c(c2)O)c1ccccc1" . "O=C(Nc1cccc2c1cccc2)CCCn1nnc(c1)c1c(oc2c1cc(C(=O)O)c(c2)O)c1ccccc1" . "RSPKMGDZBNPGGF-UHFFFAOYSA-N" . "InChI=1S/C31H24N4O5/c36-26-17-27-23(16-22(26)31(38)39)29(30(40-27)20-9-2-1-3-10-20)25-18-35(34-33-25)15-7-14-28(37)32-24-13-6-11-19-8-4-5-12-21(19)24/h1-6,8-13,16-18,36H,7,14-15H2,(H,32,37)(H,38,39)" . "CCOC(=O)c1ccc(cc1)N=C1SC(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)C(=O)N1C" . "CCOC(=O)c1ccc(cc1)N=C1S/C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)/C(=O)N1C" . "MEYCXOYFLJPZOT-FXALAWDZSA-N" . "InChI=1S/C29H26N2O7S/c1-4-37-28(35)21-10-12-22(13-11-21)30-29-31(2)26(32)25(39-29)16-19-7-14-23(24(15-19)36-3)38-17-18-5-8-20(9-6-18)27(33)34/h5-16H,4,17H2,1-3H3,(H,33,34)/b25-16-,30-29?" . "CC1CCc2c(C1)sc1c2c(nc(n1)c1cccnc1)N1CCN(CC1)C(c1ccccc1)C(=O)N" . "CC1CCc2c(C1)sc1c2c(nc(n1)c1cccnc1)N1CCN(CC1)C(c1ccccc1)C(=O)N" . "QAWHHEOBNCCSJP-UHFFFAOYSA-N" . "InChI=1S/C28H30N6OS/c1-18-9-10-21-22(16-18)36-28-23(21)27(31-26(32-28)20-8-5-11-30-17-20)34-14-12-33(13-15-34)24(25(29)35)19-6-3-2-4-7-19/h2-8,11,17-18,24H,9-10,12-16H2,1H3,(H2,29,35)" . "CN(C(=O)c1ccc(c(c1)OC(C(F)(F)F)C)Nc1nc(OC2CCC(CC2)(C)O)c2c(n1)[nH]cc2Cl)C" . "CN(C(=O)c1ccc(c(c1)O[C@@H](C(F)(F)F)C)Nc1nc(O[C@@H]2CC[C@](CC2)(C)O)c2c(n1)[nH]cc2Cl)C" . "IUWWRSQCDUQDEZ-CAQPCFEESA-N" . "InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1" . "CC12Cc3cn[nH]c3CC1CCC1C2CCC2(C1CCC2(C)O)C" . "C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C" . "LKAJKIOFIWVMDJ-IYRCEVNGSA-N" . "InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1" . "Fc1ccc(cc1)C(c1cnc(nc1)N1CCN(CC1)c1ncnn2c1cc(c2)c1cnn(c1)C)(N)C" . "Fc1ccc(cc1)[C@@](c1cnc(nc1)N1CCN(CC1)c1ncnn2c1cc(c2)c1cnn(c1)C)(N)C" . "DWYRIWUZIJHQKQ-SANMLTNESA-N" . "InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1" . "N#Cc1c(NC2CCCCC2N)nc(c2c1cn[nH]c2=O)Nc1cccc(c1)C" . "N#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(c2c1cn[nH]c2=O)Nc1cccc(c1)C" . "VFVLUXBYMUKJIJ-DLBZAZTESA-N" . "InChI=1S/C21H23N7O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-28-21(18)29)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,11,16-17H,2-3,7-8,23H2,1H3,(H,28,29)(H2,25,26,27)/t16-,17+/m0/s1" . "O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)C(=O)O" . "O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)C(=O)O" . "XGNNCRZDDAJBFU-UHFFFAOYSA-N" . "InChI=1S/C18H14N2O4/c21-16-9-13(17(22)23)8-15(10-16)20-18(24)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-10,21H,(H,22,23)(H2,19,20,24)" . "CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)c1ccc(cc1F)C(C(F)(F)F)(C(F)(F)F)O" . "CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)c1ccc(cc1F)C(C(F)(F)F)(C(F)(F)F)O" . "AUIAOCHKUNGZHV-UHFFFAOYSA-N" . "InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)" . "CCn1ncc(c1C)c1nc2c(n1C)ncnc2OC1CCN(C1)C(=O)C1CCOCC1" . "CCn1ncc(c1C)c1nc2c(n1C)ncnc2O[C@H]1CCN(C1)C(=O)C1CCOCC1" . "FHKPLLOSJHHKNU-INIZCTEOSA-N" . "InChI=1S/C22H29N7O3/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1" . "O=C(c1ccc(cc1)C(=O)Nc1cccc(c1)c1nc2c([nH]1)cccc2)Nc1cccc(c1)c1nc2c([nH]1)cccc2" . "O=C(c1ccc(cc1)C(=O)Nc1cccc(c1)c1nc2c([nH]1)cccc2)Nc1cccc(c1)c1nc2c([nH]1)cccc2" . "WSXIJTIFOWCMIQ-UHFFFAOYSA-N" . "InChI=1S/C34H24N6O2/c41-33(35-25-9-5-7-23(19-25)31-37-27-11-1-2-12-28(27)38-31)21-15-17-22(18-16-21)34(42)36-26-10-6-8-24(20-26)32-39-29-13-3-4-14-30(29)40-32/h1-20H,(H,35,41)(H,36,42)(H,37,38)(H,39,40)" . "O=C(c1cccc(n1)c1nc2c([nH]1)cccc2)N1CCN(CC1)C(=O)c1cccc(n1)c1nc2c([nH]1)cccc2" . "O=C(c1cccc(n1)c1nc2c([nH]1)cccc2)N1CCN(CC1)C(=O)c1cccc(n1)c1nc2c([nH]1)cccc2" . "MVHWZNBAQIGPOQ-UHFFFAOYSA-N" . "InChI=1S/C30H24N8O2/c39-29(25-13-5-11-23(31-25)27-33-19-7-1-2-8-20(19)34-27)37-15-17-38(18-16-37)30(40)26-14-6-12-24(32-26)28-35-21-9-3-4-10-22(21)36-28/h1-14H,15-18H2,(H,33,34)(H,35,36)" . "OC(=O)C=C(C=CC1(O)C(=CC(=O)CC1(C)C)C)C" . "OC(=O)/C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)/C" . "JLIDBLDQVAYHNE-LXGGSRJLSA-N" . "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-" . "COc1cc2[nH]c3n[nH]c(c3nc(c2cc1F)c1ccccc1Cl)C" . "COc1cc2[nH]c3n[nH]c(c3nc(c2cc1F)c1ccccc1Cl)C" . "UOVCGJXDGOGOCZ-UHFFFAOYSA-N" . "InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)" . "CC(c1ncc(cn1)F)Nc1ccc2c(n1)n(cn2)c1cc([nH]n1)OC(C)C" . "C[C@@H](c1ncc(cn1)F)Nc1ccc2c(n1)n(cn2)c1cc([nH]n1)OC(C)C" . "AYOOGWWGECJQPI-NSHDSACASA-N" . "InChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-13-4-5-14(24-18(13)27)23-11(3)17-20-7-12(19)8-21-17/h4-11H,1-3H3,(H,23,24)(H,25,26)/t11-/m0/s1" . "OC(=O)CCc1noc2c1cc(Cl)c(c2)OC(c1ccccn1)C" . "OC(=O)CCc1noc2c1cc(Cl)c(c2)O[C@@H](c1ccccn1)C" . "WPAHVUADNLXSOM-SNVBAGLBSA-N" . "InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1" . "NCCSc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)c(n[nH]2)C(C)C" . "NCCSc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)c(n[nH]2)C(C)C" . "PCQPAKMJSYGXRE-UHFFFAOYSA-N" . "InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)" . "C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2" . "C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2" . "FYBHCRQFSFYWPY-UHFFFAOYSA-N" . "InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)" . "Fc1cc2c(cc1S(=O)(=O)Nc1ccncn1)OCCC2N1CCC(CC1c1ccccn1)C(F)(F)F" . "Fc1cc2c(cc1S(=O)(=O)Nc1ccncn1)OCC[C@@H]2N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F" . "XQUOWYVEKSXNET-RYGJVYDSSA-N" . "InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1" . "CC1COCCN1c1cc(c2ccnn2C)c2c(n1)c(ncc2)c1ccn[nH]1" . "C[C@@H]1COCCN1c1cc(c2ccnn2C)c2c(n1)c(ncc2)c1ccn[nH]1" . "YBXRSCXGRPSTMW-CYBMUJFWSA-N" . "InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1" . "O=C(C1CCCCC1C(=O)c1ccc(cc1)c1n[nH]c(c1)C)Nc1cnn2c1C(=O)NCC2" . "O=C([C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)c1n[nH]c(c1)C)Nc1cnn2c1C(=O)NCC2" . "ROTWSDMXHVGAHZ-QZTJIDSGSA-N" . "InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1" . "CCCn1c(=O)c2n3ccc(cc3nc2n(c1=O)CCCCNC(=O)c1ccc(cc1)S(=O)(=O)F)OC" . "CCCn1c(=O)c2n3ccc(cc3nc2n(c1=O)CCCCNC(=O)c1ccc(cc1)S(=O)(=O)F)OC" . "WUZBOJXXYMKMMF-UHFFFAOYSA-N" . "InChI=1S/C24H26FN5O6S/c1-3-12-30-23(32)20-21(27-19-15-17(36-2)10-14-28(19)20)29(24(30)33)13-5-4-11-26-22(31)16-6-8-18(9-7-16)37(25,34)35/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,26,31)" . "Cc1cc(=O)[nH]c(n1)SCC(=O)c1cccc2c1cccc2" . "Cc1cc(=O)[nH]c(n1)SCC(=O)c1cccc2c1cccc2" . "KKPLVAUVHOSUPR-UHFFFAOYSA-N" . "InChI=1S/C17H14N2O2S/c1-11-9-16(21)19-17(18-11)22-10-15(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,18,19,21)" . "CN(Cc1n[nH]nc1CN1CCOC(C1c1ccc(cc1)F)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C" . "CN(Cc1n[nH]nc1CN1CCO[C@@H]([C@@H]1c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C" . "USRYEHHMJIRICK-ZNZBMKLDSA-N" . "InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1" . "N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F" . "N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F" . "LWUSZIVDPJPVBW-UHFFFAOYSA-N" . "InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2" . "OC(=O)CC1=C(C)C(=Cc2ccc(cc2)C(C)C)c2c1cc(F)cc2" . "OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)C(C)C)/c2c1cc(F)cc2" . "QCXBVGNDRYQVJO-GRSHGNNSSA-N" . "InChI=1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-" . "OC(=O)CCSC(c1cccc(c1)C=Cc1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C" . "OC(=O)CCSC(c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C" . "AXUZQJFHDNNPFG-UXBLZVDNSA-N" . "InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+" . "ClC1=C(N2CCOCC2)C(=O)c2c(C1=O)c(O)ccc2O" . "ClC1=C(N2CCOCC2)C(=O)c2c(C1=O)c(O)ccc2O" . "FTMCZTSKCXEXCO-UHFFFAOYSA-N" . "InChI=1S/C14H12ClNO5/c15-11-12(16-3-5-21-6-4-16)14(20)10-8(18)2-1-7(17)9(10)13(11)19/h1-2,17-18H,3-6H2" . "COc1ccc2c(c1)c(Cc1nonc1O)c(n2C(=O)c1ccccc1)C" . "COc1ccc2c(c1)c(Cc1nonc1O)c(n2C(=O)c1ccccc1)C" . "DKXLGDJKCXEKTB-UHFFFAOYSA-N" . "InChI=1S/C20H17N3O4/c1-12-15(11-17-19(24)22-27-21-17)16-10-14(26-2)8-9-18(16)23(12)20(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,22,24)" . "Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cn(nc1C)CC(F)(F)F" . "Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cn(nc1C)CC(F)(F)F" . "FFPHMUIGESPOTK-UHFFFAOYSA-N" . "InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)" . "NC(Cc1ccccc1)COC(=O)N" . "N[C@H](Cc1ccccc1)COC(=O)N" . "UCTRAOBQFUDCSR-SECBINFHSA-N" . "InChI=1S/C10H14N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/t9-/m1/s1" . "O=C(c1ccc(cc1)C(=O)N1CC(C(C1)C(=O)NC1CC1c1ccccc1)C(=O)NC1CC1c1ccccc1)N1CC(C(C1)C(=O)NC1CC1c1ccccc1)C(=O)NC1CC1c1ccccc1" . "O=C(c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1" . "ABZBNXFGYUSVCJ-UYMKNZQYSA-N" . "InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1" . "N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C" . "N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C" . "UDMPNYKEHCRGIV-UHFFFAOYSA-N" . "InChI=1S/C23H24N4O5S/c1-15-3-5-16(6-4-15)14-33(30,31)26-22(29)23(2)7-9-27(10-8-23)20-17(12-24)11-18-19(25-20)13-32-21(18)28/h3-6,11H,7-10,13-14H2,1-2H3,(H,26,29)" . "COc1cc(Nc2ccc3c(n2)ccc(c3)S(=O)(=O)N2CCCCC2C)cc(c1OC)OC" . "COc1cc(Nc2ccc3c(n2)ccc(c3)S(=O)(=O)N2CCCCC2C)cc(c1OC)OC" . "AMPNVQJPVKIKEY-UHFFFAOYSA-N" . "InChI=1S/C24H29N3O5S/c1-16-7-5-6-12-27(16)33(28,29)19-9-10-20-17(13-19)8-11-23(26-20)25-18-14-21(30-2)24(32-4)22(15-18)31-3/h8-11,13-16H,5-7,12H2,1-4H3,(H,25,26)" . "O=C1CCc2c(N1)ccc(c2)c1csc(n1)NC(=O)c1ccc(cc1)n1cnc2c1cccc2" . "O=C1CCc2c(N1)ccc(c2)c1csc(n1)NC(=O)c1ccc(cc1)n1cnc2c1cccc2" . "DXSMYUKZPWJQFM-UHFFFAOYSA-N" . "InChI=1S/C26H19N5O2S/c32-24-12-8-17-13-18(7-11-20(17)28-24)22-14-34-26(29-22)30-25(33)16-5-9-19(10-6-16)31-15-27-21-3-1-2-4-23(21)31/h1-7,9-11,13-15H,8,12H2,(H,28,32)(H,29,30,33)" . "CN(CCOC(c1ccc(cc1)Br)c1ccccc1)C" . "CN(CCOC(c1ccc(cc1)Br)c1ccccc1)C" . "NUNIWXHYABYXKF-UHFFFAOYSA-N" . "InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3" . "CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc1ccnc2c1ccc(c2)Cl" . "CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc1ccnc2c1ccc(c2)Cl" . "WDGQVCRQXSYPCW-UHFFFAOYSA-N" . "InChI=1S/C23H23Cl2N5/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)" . "FC(C(C(F)(F)F)(c1ccc(cc1)Oc1ccc(cc1)N)c1ccc(cc1)Oc1ccc(cc1)N)(F)F" . "FC(C(C(F)(F)F)(c1ccc(cc1)Oc1ccc(cc1)N)c1ccc(cc1)Oc1ccc(cc1)N)(F)F" . "HHLMWQDRYZAENA-UHFFFAOYSA-N" . "InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2" . "C1CCc2c(C1)c(ccc2)Nc1ccccc1c1n[nH]nn1" . "C1CCc2c(C1)c(ccc2)Nc1ccccc1c1n[nH]nn1" . "YYNRZIFBTOUICE-UHFFFAOYSA-N" . "InChI=1S/C17H17N5/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-19-21-22-20-17/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20,21,22)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC1=O)CC(=O)N)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)(CC(C)C)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)O)CC(C)C)CO)Cc1ccccc1)Cc1c[nH]cn1)(CC(C)C)C)CC(C)C)CCCNC(=N)N)CCCCN)CCCC)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)(CC(C)C)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC(C)C)CO)Cc1ccccc1)Cc1c[nH]cn1)(CC(C)C)C)CC(C)C)CCCNC(=N)N)CCCCN)CCCC)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O" . "IVIBPRHVUKMKSX-YJHXGIRISA-N" . "InChI=1S/C183H307N49O53/c1-26-30-47-106(203-151(256)107(48-34-39-70-184)204-155(260)112(53-44-75-198-181(194)195)209-169(274)125(80-96(13)14)227-179(284)182(24,87-97(15)16)231-175(280)127(82-105-89-196-91-199-105)222-170(275)126(81-104-45-32-31-33-46-104)221-174(279)132(90-233)226-168(273)124(79-95(11)12)220-173(278)130(85-143(249)250)201-103(23)234)163(268)228-146(100(20)28-3)178(283)216-120(61-69-142(247)248)164(269)229-147(101(21)29-4)177(282)215-119(60-68-141(245)246)161(266)207-109(50-36-41-72-186)153(258)212-115(56-64-135(190)237)158(263)214-118(59-67-140(243)244)160(265)206-110(51-37-42-73-187)154(259)213-117(58-66-139(241)242)159(264)205-108(49-35-40-71-185)152(257)211-114(55-63-134(189)236)157(262)210-113(54-62-133(188)235)150(255)200-102(22)149(254)202-116-57-65-138(240)197-74-43-38-52-111(208-171(276)128(83-136(191)238)224-172(277)129(84-137(192)239)223-162(116)267)156(261)217-121(76-92(5)6)165(270)218-122(77-93(7)8)166(271)219-123(78-94(9)10)167(272)225-131(86-144(251)252)176(281)232-183(25,88-98(17)18)180(285)230-145(148(193)253)99(19)27-2/h31-33,45-46,89,91-102,106-132,145-147,233H,26-30,34-44,47-88,90,184-187H2,1-25H3,(H2,188,235)(H2,189,236)(H2,190,237)(H2,191,238)(H2,192,239)(H2,193,253)(H,196,199)(H,197,240)(H,200,255)(H,201,234)(H,202,254)(H,203,256)(H,204,260)(H,205,264)(H,206,265)(H,207,266)(H,208,276)(H,209,274)(H,210,262)(H,211,257)(H,212,258)(H,213,259)(H,214,263)(H,215,282)(H,216,283)(H,217,261)(H,218,270)(H,219,271)(H,220,278)(H,221,279)(H,222,275)(H,223,267)(H,224,277)(H,225,272)(H,226,273)(H,227,284)(H,228,268)(H,229,269)(H,230,285)(H,231,280)(H,232,281)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H4,194,195,198)/t99-,100-,101-,102-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,130-,131-,132-,145-,146-,147-,182+,183+/m0/s1" . "CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C" . "CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C" . "KSWYJUIFHPSZOL-UHFFFAOYSA-N" . "InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3" . "Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C" . "Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C" . "SZBGQDXLNMELTB-UHFFFAOYSA-N" . "InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3" . "COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C" . "COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C" . "TVUOHEUCOWBVRU-UHFFFAOYSA-N" . "InChI=1S/C33H34N4O5/c1-21-10-17-26(35-33(34)37-32(39)25-18-28(40-2)30(42-4)29(19-25)41-3)20-27(21)36-31(38)24-15-13-23(14-16-24)12-11-22-8-6-5-7-9-22/h5-10,13-20H,11-12H2,1-4H3,(H,36,38)(H3,34,35,37,39)" . "CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl" . "CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl" . "VQOJFGFKIVFMDH-UHFFFAOYSA-N" . "InChI=1S/C26H26ClN3O4/c1-4-32-22-13-16(14-23(33-5-2)24(22)34-6-3)26(31)28-17-11-12-19(27)18(15-17)25-29-20-9-7-8-10-21(20)30-25/h7-15H,4-6H2,1-3H3,(H,28,31)(H,29,30)" . "Cc1nn(c(c1C=NN1CCN(CC1)Cc1ccccc1)C)c1ccccc1" . "Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1" . "FOORCIAZMIWALX-JJIBRWJFSA-N" . "InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+" . "CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2" . "CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2" . "WDHRPWOAMDJICD-UHFFFAOYSA-N" . "InChI=1S/C44H63N3O4/c1-29-25-39-42(47(28-29)24-23-46-40(49)13-9-6-10-22-45-41(50)17-14-32-11-7-5-8-12-32)31(3)44(51-39)21-19-35-36-16-15-33-26-34(48)18-20-43(33,4)38(36)27-37(35)30(44)2/h5,7-8,11-12,15,29,31,35-36,38-39,42H,6,9-10,13-14,16-28H2,1-4H3,(H,45,50)(H,46,49)" . "OC1CCC2(C(=CCC3C2CC2=C(C)C4(CCC32)OC2C(C4C)NCC(C2)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C" . "QASFUMOKHFSJGL-LAFRSMQTSA-N" . "InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1" . "CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1" . "CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1" . "VFSUUTYAEQOIMW-UHFFFAOYSA-N" . "InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3" . "CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O" . "CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O" . "MDLUYYGRCGDKGL-UHFFFAOYSA-N" . "InChI=1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)" . "N#Cc1cnn2c1c(cc(c2)OCC(O)(C)C)c1ccc(nc1)N1CC2CC(C1)N2Cc1ccc(nc1)OC" . "N#Cc1cnn2c1c(cc(c2)OCC(O)(C)C)c1ccc(nc1)N1CC2CC(C1)N2Cc1ccc(nc1)OC" . "XIIOFHFUYBLOLW-UHFFFAOYSA-N" . "InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3" . "c1ccc2c(c1)[nH]c1c2ccnc1" . "c1ccc2c(c1)[nH]c1c2ccnc1" . "AIFRHYZBTHREPW-UHFFFAOYSA-N" . "InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H" . "Cc1[nH]ncc1c1sc2c(c1)nc([nH]c2=O)C1CC2CCN1CC2" . "Cc1[nH]ncc1c1sc2c(c1)nc([nH]c2=O)[C@@H]1CC2CCN1CC2" . "XGVXKJKTISMIOW-ZDUSSCGKSA-N" . "InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1" . "CC1CNC(=O)c2cnn3c2nc(NC(c2c(O1)ccc(c2)F)C)cc3" . "C[C@H]1CNC(=O)c2cnn3c2nc(N[C@@H](c2c(O1)ccc(c2)F)C)cc3" . "FIKPXCOQUIZNHB-WDEREUQCSA-N" . "InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1" . "OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1" . "OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1" . "YHGSTSNEOJUIRN-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O4S/c30-23(31)15-25-22-6-1-4-19(27-22)17-28(34(32,33)21-5-2-11-24-14-21)16-18-7-9-20(10-8-18)29-13-3-12-26-29/h1-14H,15-17H2,(H,25,27)(H,30,31)" . "CC1CCc2ncc(cc2C2CCCN2c2nc3c(C(=O)N1)cnn3cc2)F" . "C[C@@H]1CCc2ncc(cc2[C@H]2CCCN2c2nc3c(C(=O)N1)cnn3cc2)F" . "OEBIHOVSAMBXIB-SJKOYZFVSA-N" . "InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1" . "CC(N1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2)C" . "CC(N1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2)C" . "YPJRHEKCFKOVRT-UHFFFAOYSA-N" . "InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)" . "NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl" . "NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl" . "QWJOPXDAQCDRRM-UHFFFAOYSA-N" . "InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)" . "COCCN=C1SC(=Cc2cc(n(c2C)c2ccc(cc2F)F)C)C(=O)N1C" . "COCCN=C1S/C(=C/c2cc(n(c2C)c2ccc(cc2F)F)C)/C(=O)N1C" . "BKQZKTRCUAWRHT-ONBPWHQPSA-N" . "InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20?" . "Clc1ccc(cc1)NNC(=Nc1ccc(cc1)Cl)C(=O)C(C)(C)C" . "Clc1ccc(cc1)NNC(=Nc1ccc(cc1)Cl)C(=O)C(C)(C)C" . "XONRRGIRSGNWFP-UHFFFAOYSA-N" . "InChI=1S/C18H19Cl2N3O/c1-18(2,3)16(24)17(21-14-8-4-12(19)5-9-14)23-22-15-10-6-13(20)7-11-15/h4-11,22H,1-3H3,(H,21,23)" . "N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O" . "N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O" . "WNDDDFYFTSGSEC-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)24-27-23(28-32-24)19-5-3-4-18-17(19)7-8-20(18)26-11-10-22(29)30/h3-6,9,12,14,20,26H,7-8,10-11H2,1-2H3,(H,29,30)" . "NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N" . "NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N" . "XNYZHCFCZNMTFY-UHFFFAOYSA-N" . "InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)" . "CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C" . "CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C" . "KORKKQLDGMHNKO-UHFFFAOYSA-N" . "InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)Cl" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)Cl" . "VYJPVPHNGWEIBT-UHFFFAOYSA-N" . "InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3" . "OCC1(O)COC(C1O)OCC1OC(OCCc2ccc(c(c2)O)O)C(C(C1OC(=O)C=Cc1ccc(c(c1)O)O)OC1OC(C)C(C(C1O)O)O)O" . "OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O" . "JMBINOWGIHWPJI-UNSOMVRXSA-N" . "InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+/m0/s1" . "COc1ccc2c(c1CC=C(C)C)oc(=O)cc2" . "COc1ccc2c(c1CC=C(C)C)oc(=O)cc2" . "MBRLOUHOWLUMFF-UHFFFAOYSA-N" . "InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3" . "Fc1ccc(cc1)C(N(C(=O)c1cnc2c(c1)cccc2)Cc1cccc(c1)C(=O)O)C" . "Fc1ccc(cc1)[C@H](N(C(=O)c1cnc2c(c1)cccc2)Cc1cccc(c1)C(=O)O)C" . "BXNMZRPTQFVRFA-QGZVFWFLSA-N" . "InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1" . "COc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O" . "COc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O" . "HMUJXQRRKBLVOO-AWEZNQCLSA-N" . "InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1" . "CC1ON=C(C1)NC(=O)C(N1CCCc2c1cccc2)c1ccccc1" . "CC1ON=C(C1)NC(=O)C(N1CCCc2c1cccc2)c1ccccc1" . "DBBFLQPLKOEUQN-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3,(H,22,23,25)" . "[O-]C(=O)CC(C(=O)[O-])NC(=O)c1cccc(n1)c1ccc(cc1)OC(F)(F)F" . "[O-]C(=O)C[C@@H](C(=O)[O-])NC(=O)c1cccc(n1)c1ccc(cc1)OC(F)(F)F" . "TUTOXIPIHTUWDS-ZDUSSCGKSA-L" . "InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/p-2/t13-/m0/s1" . "C=CC(OC(=O)C)(CCC1C(=C)CC(C2C1(C)CCCC2(C)C)OC(=O)C)C" . "C=CC(OC(=O)C)(CCC1C(=C)CC(C2C1(C)CCCC2(C)C)OC(=O)C)C" . "CFEOXVWJRPHLSF-UHFFFAOYSA-N" . "InChI=1S/C24H38O4/c1-9-23(7,28-18(4)26)14-11-19-16(2)15-20(27-17(3)25)21-22(5,6)12-10-13-24(19,21)8/h9,19-21H,1-2,10-15H2,3-8H3" . "O=C(c1ccc(o1)c1ccc(cc1)F)NC(C(=O)O)CC(=O)O" . "O=C(c1ccc(o1)c1ccc(cc1)F)N[C@H](C(=O)O)CC(=O)O" . "DXDJHKUZMNAXTM-JTQLQIEISA-N" . "InChI=1S/C15H12FNO6/c16-9-3-1-8(2-4-9)11-5-6-12(23-11)14(20)17-10(15(21)22)7-13(18)19/h1-6,10H,7H2,(H,17,20)(H,18,19)(H,21,22)/t10-/m0/s1" . "O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O" . "O=C[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)C=O" . "AZJUJOFIHHNCSV-KCQAQPDRSA-N" . "InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1Br" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1Br" . "OVIAJBSVWWYJSD-UHFFFAOYSA-N" . "InChI=1S/C15H9BrO5/c16-9-4-2-1-3-8(9)15-14(20)13(19)12-10(18)5-7(17)6-11(12)21-15/h1-6,17-18,20H" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)OC(F)(F)F" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)OC(F)(F)F" . "PRJHEJGMSOBHTO-UHFFFAOYSA-N" . "InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3" . "c1ccc(cc1)Cn1c(NCc2ccco2)nc2c1cccc2" . "c1ccc(cc1)Cn1c(NCc2ccco2)nc2c1cccc2" . "OECUWHDVQIITIS-UHFFFAOYSA-N" . "InChI=1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)" . "O=C(CCC1=Nc2cc(C)ccc2S(=O)(=O)N1)NCCCOC12CC3CC(C2)CC(C1)C3" . "O=C(CCC1=Nc2cc(C)ccc2S(=O)(=O)N1)NCCCOC12CC3CC(C2)CC(C1)C3" . "YXADKMPRWFBOHW-UHFFFAOYSA-N" . "InChI=1S/C24H33N3O4S/c1-16-3-4-21-20(9-16)26-22(27-32(21,29)30)5-6-23(28)25-7-2-8-31-24-13-17-10-18(14-24)12-19(11-17)15-24/h3-4,9,17-19H,2,5-8,10-15H2,1H3,(H,25,28)(H,26,27)" . "CCCCNc1nc2c([nH]1)cccc2" . "CCCCNc1nc2c([nH]1)cccc2" . "OKKUCNXCFWODOE-UHFFFAOYSA-N" . "InChI=1S/C11H15N3/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3,(H2,12,13,14)" . "CCC(=CC(=O)OC1C(C)CC2OC1(O)C(O)C1(C)CCC(O1)C(C=CC(C2=O)C)(C)C)C" . "CC/C(=C/C(=O)O[C@@H]1[C@H](C)C[C@H]2O[C@]1(O)[C@@H](O)[C@@]1(C)CC[C@H](O1)C(/C=C/[C@@H](C2=O)C)(C)C)/C" . "YMEAIOHYSIGDJY-VDLZEVDKSA-N" . "InChI=1S/C26H40O7/c1-8-15(2)13-20(27)31-22-17(4)14-18-21(28)16(3)9-11-24(5,6)19-10-12-25(7,33-19)23(29)26(22,30)32-18/h9,11,13,16-19,22-23,29-30H,8,10,12,14H2,1-7H3/b11-9-,15-13+/t16-,17+,18+,19-,22+,23-,25+,26-/m0/s1" . "CC1CCCN(C1C)C(=O)c1nc(sc1C)Nc1ccc(cc1F)Cl" . "C[C@H]1CCCN([C@H]1C)C(=O)c1nc(sc1C)Nc1ccc(cc1F)Cl" . "ODUIXUGXPFKQLG-QWRGUYRKSA-N" . "InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1" . "N#Cc1ccc(c(c1)Cl)OC1C(Cc2c1cccc2)N1CCCC(C1)N" . "N#Cc1ccc(c(c1)Cl)O[C@H]1[C@@H](Cc2c1cccc2)N1CCC[C@H](C1)N" . "RLKRLNQEXBPQGQ-OZOXKJRCSA-N" . "InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1" . "Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F" . "Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F" . "CVALMMCIOLXHDM-UHFFFAOYSA-N" . "InChI=1S/C18H13F6N3O2S/c1-11-2-8-14(9-3-11)30(28,29)26-12-4-6-13(7-5-12)27-16(18(22,23)24)10-15(25-27)17(19,20)21/h2-10,26H,1H3" . "CCOC(=O)N1CCC(CC1)c1cc(O)n2c(n1)c(c1ccc(cc1)C(F)(F)F)c(n2)C" . "CCOC(=O)N1CCC(CC1)c1cc(O)n2c(n1)c(c1ccc(cc1)C(F)(F)F)c(n2)C" . "JCCIFATWQJZIDU-UHFFFAOYSA-N" . "InChI=1S/C22H23F3N4O3/c1-3-32-21(31)28-10-8-14(9-11-28)17-12-18(30)29-20(26-17)19(13(2)27-29)15-4-6-16(7-5-15)22(23,24)25/h4-7,12,14,30H,3,8-11H2,1-2H3" . "CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(nc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(nc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "FIINKDGVMNTVCW-BKMJKUGQSA-N" . "InChI=1S/C28H30F3N3O3/c1-32-27(35)26(19-7-5-4-6-8-19)34-14-13-20-15-23(36-2)24(37-3)16-21(20)22(34)11-9-18-10-12-25(33-17-18)28(29,30)31/h4-8,10,12,15-17,22,26H,9,11,13-14H2,1-3H3,(H,32,35)/t22-,26+/m0/s1" . "Clc1ccc2c(c1)c(C1=CCNCC1)c([nH]2)C" . "Clc1ccc2c(c1)c(C1=CCNCC1)c([nH]2)C" . "BPPGPYJBCVXILI-UHFFFAOYSA-N" . "InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3" . "COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2" . "COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2" . "NTXBDULODNTCKP-UHFFFAOYSA-N" . "InChI=1S/C20H19N3O2S/c1-25-17-8-6-16(7-9-17)21-20-22-18(13-26-20)19(24)23-11-10-14-4-2-3-5-15(14)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)" . "O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "AXWRAIIIBRLXBP-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27)" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1ccccc1N(C)C)c1cccc(c1)C(=O)N(C)C" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1ccccc1N(C)C)c1cccc(c1)C(=O)N(C)C" . "BXJSAMKIFDDLGI-UHFFFAOYSA-N" . "InChI=1S/C33H37N5O5S/c1-37(2)29-15-7-6-14-28(29)32(39)35-19-18-34-26-12-9-13-27(22-26)36-44(41,42)31-21-24(16-17-30(31)43-5)23-10-8-11-25(20-23)33(40)38(3)4/h6-17,20-22,34,36H,18-19H2,1-5H3,(H,35,39)" . "Clc1ccc(cc1)CCc1noc(n1)Cn1cnc2c(c1=O)n(C)cn2" . "Clc1ccc(cc1)CCc1noc(n1)Cn1cnc2c(c1=O)n(C)cn2" . "AWJBWNUUODWOKQ-UHFFFAOYSA-N" . "InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3" . "COCCCN(c1scc(n1)c1ccc(cc1)OC)C(=O)CCl" . "COCCCN(c1scc(n1)c1ccc(cc1)OC)C(=O)CCl" . "KZMAWJRXKGLWGS-UHFFFAOYSA-N" . "InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3" . "CC(CN1C(=O)C(=CC(=O)O)c2c1c(F)ccc2)C" . "CC(CN1C(=O)/C(=C/C(=O)O)/c2c1c(F)ccc2)C" . "RCVZUIGCNAAMIC-UXBLZVDNSA-N" . "InChI=1S/C14H14FNO3/c1-8(2)7-16-13-9(4-3-5-11(13)15)10(14(16)19)6-12(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)/b10-6+" . "O=C(C1CCCCCC1)Nc1c(C)c(Br)cn(c1=O)Cc1ccc(cc1)F" . "O=C(C1CCCCCC1)Nc1c(C)c(Br)cn(c1=O)Cc1ccc(cc1)F" . "NSGDYZCDUPSTQT-UHFFFAOYSA-N" . "InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-17(23)11-9-15)21(27)19(14)24-20(26)16-6-4-2-3-5-7-16/h8-11,13,16H,2-7,12H2,1H3,(H,24,26)" . "[O-][N+](=O)CC(c1c([nH]c2c1cccc2)c1ccccc1)c1ccccc1" . "[O-][N+](=O)CC(c1c([nH]c2c1cccc2)c1ccccc1)c1ccccc1" . "OHZDCJJHWPHZJD-UHFFFAOYSA-N" . "InChI=1S/C22H18N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1-14,19,23H,15H2" . "COc1cc(OCc2nc(sc2C)N2CCOCC2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "COc1cc(OCc2nc(sc2C)N2CCOCC2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "MINMDCMSHDBHKG-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3" . "Fc1ccc(cc1)c1nn2cc(nc2c(c1)C(C)(C)C)C(=O)N1CCNC(=O)C1(C)C" . "Fc1ccc(cc1)c1nn2cc(nc2c(c1)C(C)(C)C)C(=O)N1CCNC(=O)C1(C)C" . "DTASTQAQBOZSRR-UHFFFAOYSA-N" . "InChI=1S/C23H26FN5O2/c1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)27-29-13-18(26-19(16)29)20(30)28-11-10-25-21(31)23(28,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,31)" . "O=C1Oc2c(C1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C" . "O=C1Oc2c(C1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C" . "RVNOANDLZIIFHB-UHFFFAOYSA-N" . "InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3" . "OC1CC2C(C1(C)CC2)(C)C" . "O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C" . "DTGKSKDOIYIVQL-WEDXCCLWSA-N" . "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1" . "CN(CCNC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C)C" . "CN(CCN[C@@H]([C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CCc2c1ccc(c2)O)C)C" . "OQLPSYJNZRYLOQ-VMQDKKENSA-N" . "InChI=1S/C24H38N2O/c1-16(25-13-14-26(3)4)22-9-10-23-21-7-5-17-15-18(27)6-8-19(17)20(21)11-12-24(22,23)2/h6,8,15-16,20-23,25,27H,5,7,9-14H2,1-4H3/t16-,20+,21+,22+,23-,24+/m1/s1" . "COP(=O)(Oc1cccc(c1)CC(=O)O)CCC(C(=O)O)N" . "COP(=O)(Oc1cccc(c1)CC(=O)O)CCC(C(=O)O)N" . "NTFPDEDRMYYPAC-UHFFFAOYSA-N" . "InChI=1S/C13H18NO7P/c1-20-22(19,6-5-11(14)13(17)18)21-10-4-2-3-9(7-10)8-12(15)16/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)(H,17,18)" . "Cc1ccc(cc1)CSc1ncn(n1)c1ccccc1" . "Cc1ccc(cc1)CSc1ncn(n1)c1ccccc1" . "JAVBFNWBMPZICK-UHFFFAOYSA-N" . "InChI=1S/C16H15N3S/c1-13-7-9-14(10-8-13)11-20-16-17-12-19(18-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3" . "O=C(Nc1cc(C=CC(=O)O)ccc1CC=C(C)C)CCc1ccccc1" . "O=C(Nc1cc(/C=C/C(=O)O)ccc1CC=C(C)C)CCc1ccccc1" . "SMYHHZFAWOLAAX-RVDMUPIBSA-N" . "InChI=1S/C23H25NO3/c1-17(2)8-12-20-13-9-19(11-15-23(26)27)16-21(20)24-22(25)14-10-18-6-4-3-5-7-18/h3-9,11,13,15-16H,10,12,14H2,1-2H3,(H,24,25)(H,26,27)/b15-11+" . "C(CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1)CCc1n[nH]nn1" . "C(CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1)CCc1n[nH]nn1" . "LQNGMDUIRLSESZ-UHFFFAOYSA-N" . "InChI=1S/C25H27N5/c1-3-9-22-19(7-1)12-13-20-8-2-4-10-23(20)25(22)21-14-17-30(18-15-21)16-6-5-11-24-26-28-29-27-24/h1-4,7-10,12-13H,5-6,11,14-18H2,(H,26,27,28,29)" . "CCC1(CC)C(=NCC(C1=O)C)O" . "CCC1(CC)C(=NCC(C1=O)C)O" . "SIDLZWOQUZRBRU-UHFFFAOYSA-N" . "InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)" . "Cc1cccc(c1)N1CN(C(=O)C21CCN(CC2)C1CCN(CC1)C(=O)OC1CC1)C" . "Cc1cccc(c1)N1CN(C(=O)C21CCN(CC2)C1CCN(CC1)C(=O)OC1CC1)C" . "ZZZVRFJGTJAHFM-UHFFFAOYSA-N" . "InChI=1S/C24H34N4O3/c1-18-4-3-5-20(16-18)28-17-25(2)22(29)24(28)10-14-26(15-11-24)19-8-12-27(13-9-19)23(30)31-21-6-7-21/h3-5,16,19,21H,6-15,17H2,1-2H3" . "ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC1CCCCC1" . "ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC1CCCCC1" . "HZYLVYNCWLAIGF-UHFFFAOYSA-N" . "InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)" . "COc1cc(ccc1OCc1ccc(cc1)OC)Cn1c(N)nc2c1ncc(c2)c1cnn(c1)C" . "COc1cc(ccc1OCc1ccc(cc1)OC)Cn1c(N)nc2c1ncc(c2)c1cnn(c1)C" . "HVRWZFQFSQUILC-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)" . "CCNC(=O)C=Cc1cccc(c1)Br" . "CCNC(=O)/C=C/c1cccc(c1)Br" . "LDCXGZCEMNMWIL-VOTSOKGWSA-N" . "InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+" . "S=C(Nc1cccnc1)NC1CCN(CC1)c1nccc(c1Cl)Oc1ccc(cc1Cl)OC(F)(F)F" . "S=C(Nc1cccnc1)NC1CCN(CC1)c1nccc(c1Cl)Oc1ccc(cc1Cl)OC(F)(F)F" . "PIEQDBPBBQPLPL-UHFFFAOYSA-N" . "InChI=1S/C23H20Cl2F3N5O2S/c24-17-12-16(35-23(26,27)28)3-4-18(17)34-19-5-9-30-21(20(19)25)33-10-6-14(7-11-33)31-22(36)32-15-2-1-8-29-13-15/h1-5,8-9,12-14H,6-7,10-11H2,(H2,31,32,36)" . "OC(=O)c1cc(oc1C)c1ccccc1" . "OC(=O)c1cc(oc1C)c1ccccc1" . "VLMNACSEESRUAK-UHFFFAOYSA-N" . "InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)" . "O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1" . "O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1" . "PLCMZPFTMOAGOE-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22)" . "CC1CCCC(O1)CC1OC(=O)c2c(C1)cc(cc2O)O" . "C[C@H]1CCC[C@@H](O1)C[C@@H]1OC(=O)c2c(C1)cc(cc2O)O" . "WOMKDMUZNBFXKG-ZWKOPEQDSA-N" . "InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1" . "Cc1ccc(cc1)c1cnc2c(c1)oc(n2)C(=O)CCCCCc1ccccc1" . "Cc1ccc(cc1)c1cnc2c(c1)oc(n2)C(=O)CCCCCc1ccccc1" . "XDHONXIOZAUYDB-UHFFFAOYSA-N" . "InChI=1S/C25H24N2O2/c1-18-12-14-20(15-13-18)21-16-23-24(26-17-21)27-25(29-23)22(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-17H,3,6-7,10-11H2,1H3" . "O=C(N1CCCCC1Cc1ccccc1)n1nnc(c1)c1ccc(cc1)c1ccccc1" . "O=C(N1CCCCC1Cc1ccccc1)n1nnc(c1)c1ccc(cc1)c1ccccc1" . "JKJMWHULJIOKPJ-UHFFFAOYSA-N" . "InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2" . "Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N" . "Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N" . "GJQPMPFPNINLKP-UHFFFAOYSA-N" . "InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)" . "C#CCOC1CCC(N(C1)C(=O)n1ncc(n1)C(c1ccc(cc1)F)(c1ccc(cc1)F)O)Cc1ccccc1" . "C#CCO[C@@H]1CC[C@@H](N(C1)C(=O)n1ncc(n1)C(c1ccc(cc1)F)(c1ccc(cc1)F)O)Cc1ccccc1" . "GVLOFRPVRYAFKI-VSGBNLITSA-N" . "InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1" . "O=C(N1CCN(C(C1)Cc1ccccc1)C(=O)n1nnc(c1)c1ccc(cc1)OC(F)(F)F)OC(C)(C)C" . "O=C(N1CCN(C(C1)Cc1ccccc1)C(=O)n1nnc(c1)c1ccc(cc1)OC(F)(F)F)OC(C)(C)C" . "CQGMWUWJVBKTRM-UHFFFAOYSA-N" . "InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3" . "Clc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F" . "Clc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F" . "NSQNZEUFHPTJME-UHFFFAOYSA-N" . "InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)" . "COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1ccc(cc1)NC(=O)C" . "COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1ccc(cc1)NC(=O)C" . "BCNKQXDDMIBITO-UHFFFAOYSA-N" . "InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)" . "Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(CC2C)c1cccnc1F" . "Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F" . "RXRVCJFGSOVYLG-LLVKDONJSA-N" . "InChI=1S/C18H15ClFN5O2/c1-11-9-24(14-3-2-6-21-17(14)20)18(26)15-7-13(23-25(11)15)10-27-16-5-4-12(19)8-22-16/h2-8,11H,9-10H2,1H3/t11-/m1/s1" . "CCc1nn2c(c1Cc1ccc(cc1)c1nnc(o1)C1CCNCC1)nc(cc2C)C" . "CCc1nn2c(c1Cc1ccc(cc1)c1nnc(o1)C1CCNCC1)nc(cc2C)C" . "HXPQWNPLNIEJOW-UHFFFAOYSA-N" . "InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3" . "OCC12CC2C(C(C1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1" . "OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1" . "KATPAPFGRPJUHJ-MXKWNSRKSA-N" . "InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1" . "CCCn1cnc(c1)CCNC(=O)Nc1nc2c(s1)cc(cc2)c1cncc(c1)OC" . "CCCn1cnc(c1)CCNC(=O)Nc1nc2c(s1)cc(cc2)c1cncc(c1)OC" . "VYPWROGLWNYKDD-UHFFFAOYSA-N" . "InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)" . "CC(=O)Nc1sc(c(n1)C)c1cc(C)c2c(c1)CN(C2=O)C(C1CC1)C" . "CC(=O)Nc1sc(c(n1)C)c1cc(C)c2c(c1)CN(C2=O)[C@H](C1CC1)C" . "CNCRCDLWUGCPSJ-LBPRGKRZSA-N" . "InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1" . "O=C(Nc1ccc(cc1)OC1CCN(CC1)C1CCC1)CN1CCOCC1" . "O=C(Nc1ccc(cc1)OC1CCN(CC1)C1CCC1)CN1CCOCC1" . "LNXDUSQEXVQFGP-UHFFFAOYSA-N" . "InChI=1S/C21H31N3O3/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18/h4-7,18,20H,1-3,8-16H2,(H,22,25)" . "Clc1cc(NC2CCCN(C2=O)C2CN(CCC2C(=O)N)c2ncnc(c2F)N)cc(c1)C(F)(F)F" . "Clc1cc(N[C@@H]2CCCN(C2=O)[C@H]2CN(CC[C@@H]2C(=O)N)c2ncnc(c2F)N)cc(c1)C(F)(F)F" . "QLRRJMOBVVGXEJ-XHSDSOJGSA-N" . "InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1" . "COc1cc2c(cc1OC)c(cn(c2=O)c1noc2c1cc(C)cc2)C(=O)N1CCCCC1" . "COc1cc2c(cc1OC)c(cn(c2=O)c1noc2c1cc(C)cc2)C(=O)N1CCCCC1" . "QRMYHYZQUGJBBX-UHFFFAOYSA-N" . "InChI=1S/C25H25N3O5/c1-15-7-8-20-18(11-15)23(26-33-20)28-14-19(24(29)27-9-5-4-6-10-27)16-12-21(31-2)22(32-3)13-17(16)25(28)30/h7-8,11-14H,4-6,9-10H2,1-3H3" . "Clc1ccc(c(c1)Cl)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O" . "Clc1ccc(c(c1)Cl)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O" . "ZJDRIKAAFJMYGX-UHFFFAOYSA-N" . "InChI=1S/C18H14Cl2N2O2/c19-9-5-6-11(13(20)7-9)16-17-12(8-15(22-16)18(23)24)10-3-1-2-4-14(10)21-17/h1-7,15-16,21-22H,8H2,(H,23,24)" . "NC(=N)N1CCCC1Cc1onc(n1)c1ccc(cc1)Nc1scc(n1)c1ccc(cc1)c1ccccc1" . "NC(=N)N1CCC[C@H]1Cc1onc(n1)c1ccc(cc1)Nc1scc(n1)c1ccc(cc1)c1ccccc1" . "PDCYPMBTPMGZDZ-DEOSSOPVSA-N" . "InChI=1S/C29H27N7OS/c30-28(31)36-16-4-7-24(36)17-26-34-27(35-37-26)22-12-14-23(15-13-22)32-29-33-25(18-38-29)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h1-3,5-6,8-15,18,24H,4,7,16-17H2,(H3,30,31)(H,32,33)/t24-/m0/s1" . "CSCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)NC(=O)CN" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CN" . "CUWIGJUCRMYFBS-BXXNOCLASA-N" . "InChI=1S/C52H76N12O12S/c1-30(2)26-37(48(72)62-22-6-10-41(62)46(70)59-36(51(75)76)8-4-21-56-52(54)55)61-47(71)42-11-7-24-64(42)50(74)39(28-32-14-18-34(66)19-15-32)60-44(68)35(20-25-77-3)58-45(69)40-9-5-23-63(40)49(73)38(57-43(67)29-53)27-31-12-16-33(65)17-13-31/h12-19,30,35-42,65-66H,4-11,20-29,53H2,1-3H3,(H,57,67)(H,58,69)(H,59,70)(H,60,68)(H,61,71)(H,75,76)(H4,54,55,56)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)C(C)C)CO)Cc1c[nH]c2c1cccc2)C)NC(=O)C(NC(=O)C(N)C)CC(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)C(C)C)CO)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C" . "CWUCHJAUTZCVMY-YUIUFFEESA-N" . "InChI=1S/C46H76N14O11/c1-23(2)19-33(57-37(62)25(5)48)41(66)55-31(15-10-11-17-47)40(65)53-26(6)39(64)58-34(20-28-21-52-30-14-9-8-13-29(28)30)42(67)59-35(22-61)43(68)60-36(24(3)4)44(69)54-27(7)38(63)56-32(45(70)71)16-12-18-51-46(49)50/h8-9,13-14,21,23-27,31-36,52,61H,10-12,15-20,22,47-48H2,1-7H3,(H,53,65)(H,54,69)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,60,68)(H,70,71)(H4,49,50,51)/t25-,26-,27-,31-,32-,33-,34-,35-,36-/m0/s1" . "OC(=O)CCc1cccc2c1B(O)OC2" . "OC(=O)CCc1cccc2c1B(O)OC2" . "CEVOKIPNIZQANN-UHFFFAOYSA-N" . "InChI=1S/C10H11BO4/c12-9(13)5-4-7-2-1-3-8-6-15-11(14)10(7)8/h1-3,14H,4-6H2,(H,12,13)" . "CN(Cc1cc2nc(c(n2cc1C)c1ccnc(n1)CC1CC1)c1ccc(c(c1)NS(=O)(=O)C)F)C" . "CN(Cc1cc2nc(c(n2cc1C)c1ccnc(n1)CC1CC1)c1ccc(c(c1)NS(=O)(=O)C)F)C" . "VRZZXBIIWWZFEI-UHFFFAOYSA-N" . "InChI=1S/C26H29FN6O2S/c1-16-14-33-24(13-19(16)15-32(2)3)30-25(18-7-8-20(27)22(12-18)31-36(4,34)35)26(33)21-9-10-28-23(29-21)11-17-5-6-17/h7-10,12-14,17,31H,5-6,11,15H2,1-4H3" . "NCCOc1ccc(cc1)C(=C(c1ccccc1)CC)c1ccc(cc1)O" . "NCCOc1ccc(cc1)/C(=C(/c1ccccc1)/CC)/c1ccc(cc1)O" . "YCQBLTPGQSYLHD-VHXPQNKSSA-N" . "InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CO)CC(C)C)C(C)C)Cc1ccc(cc1)O)CCC(=O)N)NC(=O)C1CCCN1C(=O)C(C(CC)C)NC(=O)C(Cc1ccc(cc1)O)N)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CO)CC(C)C)C(C)C)Cc1ccc(cc1)O)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccc(cc1)O)N)C" . "FLMZYYASMMUDFC-FJKDSYQFSA-N" . "InChI=1S/C60H94N14O15/c1-9-33(7)48(72-55(84)45-14-12-26-74(45)58(87)49(34(8)10-2)73-50(79)39(61)28-35-15-19-37(76)20-16-35)57(86)66-40(23-24-46(62)78)51(80)68-43(29-36-17-21-38(77)22-18-36)53(82)71-47(32(5)6)56(85)69-42(27-31(3)4)52(81)70-44(30-75)54(83)67-41(59(88)89)13-11-25-65-60(63)64/h15-22,31-34,39-45,47-49,75-77H,9-14,23-30,61H2,1-8H3,(H2,62,78)(H,66,86)(H,67,83)(H,68,80)(H,69,85)(H,70,81)(H,71,82)(H,72,84)(H,73,79)(H,88,89)(H4,63,64,65)/t33-,34-,39-,40-,41-,42-,43-,44-,45-,47-,48-,49-/m0/s1" . "CN=C(NCCCC(C(=O)NC(C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)NNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C1CC(CN1C(=O)C(Cc1ccc(cc1)O)NC(=O)C)O)CC(=O)N)Cc1ccccc1)CC(C)C)N" . "CN=C(NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C)O)CC(=O)N)Cc1ccccc1)CC(C)C)N" . "MWXWMWSUUYXMRA-GRKBUMBKSA-N" . "InChI=1S/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1" . "C=CC(=O)NC1CCOCC1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC" . "C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC" . "MGZKYOAQVGSSGC-DLBZAZTESA-N" . "InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1" . "Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1N=Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C" . "Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(cc1)C" . "FLDBNMYJUMAXDQ-TURZUDJPSA-N" . "InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3/b28-19+" . "OCC1CCCN1Cc1ccc(cc1)COc1cccc(c1)NC(=O)c1ccccc1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)NC(=O)c1ccccc1" . "OHVIRCSJFFPEGC-XMMPIXPASA-N" . "InChI=1S/C26H28N2O3/c29-18-24-9-5-15-28(24)17-20-11-13-21(14-12-20)19-31-25-10-4-8-23(16-25)27-26(30)22-6-2-1-3-7-22/h1-4,6-8,10-14,16,24,29H,5,9,15,17-19H2,(H,27,30)/t24-/m1/s1" . "Brc1ccc(c(c1)C=NNC(=O)C(Sc1nc2c([nH]1)cccc2)C)O" . "Brc1ccc(c(c1)/C=N/NC(=O)C(Sc1nc2c([nH]1)cccc2)C)O" . "WILMXUAKQKGGCC-DJKKODMXSA-N" . "InChI=1S/C17H15BrN4O2S/c1-10(25-17-20-13-4-2-3-5-14(13)21-17)16(24)22-19-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,20,21)(H,22,24)/b19-9+" . "CCC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)C)C(C1C2(C)C(O)CCC1(C)C)OCNCCN(C)C)O" . "CC[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OCNCCN(C)C)O" . "MTINGHUODSDGHI-JDHRZFKJSA-N" . "InChI=1S/C27H48N2O7/c1-10-24(5)15-19(32)27(33)25(6)18(31)11-12-23(3,4)21(25)20(34-16-28-13-14-29(8)9)22(35-17(2)30)26(27,7)36-24/h18,20-22,28,31,33H,10-16H2,1-9H3/t18-,20-,21-,22-,24-,25-,26+,27-/m0/s1" . "S=C=NCCNCOC1C(OC(=O)C)C2(C)OC(C)(C=C)CC(=O)C2(C2(C1C(C)(C)CCC2O)C)O" . "S=C=NCCNCO[C@@H]1[C@H](OC(=O)C)[C@@]2(C)O[C@@](C)(C=C)CC(=O)[C@@]2([C@@]2([C@@H]1C(C)(C)CC[C@@H]2O)C)O" . "RWDRIGNPXMZENV-CLFUUGQNSA-N" . "InChI=1S/C26H40N2O7S/c1-8-23(5)13-18(31)26(32)24(6)17(30)9-10-22(3,4)20(24)19(33-14-27-11-12-28-15-36)21(34-16(2)29)25(26,7)35-23/h8,17,19-21,27,30,32H,1,9-14H2,2-7H3/t17-,19-,20-,21-,23-,24-,25+,26-/m0/s1" . "NC(=O)C(C(F)(F)F)(CNc1nc(ncc1F)c1nn(c(c1)c1nocc1)Cc1ccccc1F)O" . "NC(=O)[C@@](C(F)(F)F)(CNc1nc(ncc1F)c1nn(c(c1)c1nocc1)Cc1ccccc1F)O" . "YWQFJNWMWZMXRW-HXUWFJFHSA-N" . "InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1" . "COc1ccc2c(c1OC)C(=O)OC2C1N(C)CCc2c1c(OC)c1c(c2)OCO1" . "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1" . "AKNNEGZIBPJZJG-MSOLQXFVSA-N" . "InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1" . "CCc1nc2c(n1Cc1ccc3c(c1)CCc1c(N3)ccc(c1)CN1CCCCC1)nc(cc2C)C" . "CCc1nc2c(n1Cc1ccc3c(c1)CCc1c(N3)ccc(c1)CN1CCCCC1)nc(cc2C)C" . "YFBWGDXTUXTMEM-UHFFFAOYSA-N" . "InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3" . "CNCCOc1ccc(cc1)C(=C(c1ccccc1)CC)c1ccc(cc1)O" . "CNCCOc1ccc(cc1)/C(=C(/c1ccccc1)/CC)/c1ccc(cc1)O" . "MHJBZVSGOZTKRH-IZHYLOQSSA-N" . "InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-" . "CCCCCCC(c1cc(O)c2c(c1)oc(=O)c1c2cc(OC)cc1)(C)C" . "CCCCCCC(c1cc(O)c2c(c1)oc(=O)c1c2cc(OC)cc1)(C)C" . "ZAIKPEWFCSQNQB-UHFFFAOYSA-N" . "InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3" . "O=C1CCCN1C1CCN(C1)C(=O)c1cnc2c(c1)OCCC1(N2)CC1" . "O=C1CCCN1[C@H]1CCN(C1)C(=O)c1cnc2c(c1)OCCC1(N2)CC1" . "UQONAEXHTGDOIH-AWEZNQCLSA-N" . "InChI=1S/C19H24N4O3/c24-16-2-1-7-23(16)14-3-8-22(12-14)18(25)13-10-15-17(20-11-13)21-19(4-5-19)6-9-26-15/h10-11,14H,1-9,12H2,(H,20,21)/t14-/m0/s1" . "OCC1NCC(C(C1O)O)O" . "OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O" . "LXBIFEVIBLOUGU-DPYQTVNSSA-N" . "InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1" . "OCC(Cn1c2cc(F)c(cc2cc1C(CO)(C)C)NC(=O)C1(CC1)c1ccc2c(c1)OC(O2)(F)F)O" . "OC[C@@H](Cn1c2cc(F)c(cc2cc1C(CO)(C)C)NC(=O)C1(CC1)c1ccc2c(c1)OC(O2)(F)F)O" . "MJUVRTYWUMPBTR-MRXNPFEDSA-N" . "InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1" . "CCc1cnc(nc1)N1CCC(CC1)c1scc(n1)COc1ccc(cc1)n1cnnn1" . "CCc1cnc(nc1)N1CCC(CC1)c1scc(n1)COc1ccc(cc1)n1cnnn1" . "NFTMKHWBOINJGM-UHFFFAOYSA-N" . "InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3" . "CCC1C(O)C2C3CCC(C3(C)CCC2C2(C1CC(O)CC2)C)C(CCOS(=O)(=O)[O-])C" . "CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOS(=O)(=O)[O-])C" . "XGIYOABXZNJOHV-APIYUPOTSA-M" . "InChI=1S/C25H44O6S/c1-5-17-21-14-16(26)8-11-25(21,4)20-9-12-24(3)18(6-7-19(24)22(20)23(17)27)15(2)10-13-31-32(28,29)30/h15-23,26-27H,5-14H2,1-4H3,(H,28,29,30)/p-1/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1" . "COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(ccc1n1cncn1)OC(F)(F)F" . "COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(ccc1n1cncn1)OC(F)(F)F" . "IQNLJJLZIVCGFI-UHFFFAOYSA-N" . "InChI=1S/C21H19F3N4O4/c1-30-19-8-14(4-7-18(19)31-10-13-2-3-13)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,2-3,10H2,1H3,(H,27,29)" . "O=C1NC(c2c1cc([nH]2)c1cccc2c1nc(NC1(C)CC1)n(c2=O)C1(C)CC1)C" . "O=C1N[C@@H](c2c1cc([nH]2)c1cccc2c1nc(NC1(C)CC1)n(c2=O)C1(C)CC1)C" . "WPKXXVMGORDACP-GFCCVEGCSA-N" . "InChI=1S/C23H25N5O2/c1-12-17-15(19(29)24-12)11-16(25-17)13-5-4-6-14-18(13)26-21(27-22(2)7-8-22)28(20(14)30)23(3)9-10-23/h4-6,11-12,25H,7-10H2,1-3H3,(H,24,29)(H,26,27)/t12-/m1/s1" . "COc1cc(cc(c1OC)OC)Nc1ncnc2c1sc(c2)c1ccc(cc1)C" . "COc1cc(cc(c1OC)OC)Nc1ncnc2c1sc(c2)c1ccc(cc1)C" . "IXKCNJIWRNIRNO-UHFFFAOYSA-N" . "InChI=1S/C22H21N3O3S/c1-13-5-7-14(8-6-13)19-11-16-21(29-19)22(24-12-23-16)25-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24,25)" . "Nc1nc(nc(c1Br)n1cccn1)n1cccn1" . "Nc1nc(nc(c1Br)n1cccn1)n1cccn1" . "ATFXVNUWQOXRRU-UHFFFAOYSA-N" . "InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)" . "OC1C2COP(=O)(S)OC3C(COP(=S)(OC1C(O2)n1cnc2c1ncnc2N)O)OC(C3O)n1cnc2c1ncnc2N" . "OC1[C@H]2COP(=O)(S)O[C@@H]3[C@@H](COP(=S)(O[C@H]1[C@@H](O2)n1cnc2c1ncnc2N)O)O[C@H]([C@@H]3O)n1cnc2c1ncnc2N" . "IZJJFUQKKZFVLH-LTKSHMRXSA-N" . "InChI=1S/C20H24N10O10P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11?,12-,13-,14-,19-,20-,41?,42?/m1/s1" . "OCC(C(=O)O)NCc1cc(C)c(cc1OCc1cccc(c1)C#N)OCc1cccc(c1C)c1ccc2c(c1)OCCO2" . "OCC(C(=O)O)NCc1cc(C)c(cc1OCc1cccc(c1)C#N)OCc1cccc(c1C)c1ccc2c(c1)OCCO2" . "UWNXGZKSIKQKAH-UHFFFAOYSA-N" . "InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)" . "Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)COC1COCC1" . "Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1" . "KURQKNMKCGYWRJ-HNNXBMFYSA-N" . "InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1" . "N1CCC(CC1)c1onc(n1)c1ccc2c(c1)cccc2" . "N1CCC(CC1)c1onc(n1)c1ccc2c(c1)cccc2" . "PPCNFLPYHQIYHP-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c1-2-4-14-11-15(6-5-12(14)3-1)16-19-17(21-20-16)13-7-9-18-10-8-13/h1-6,11,13,18H,7-10H2" . "CC(=O)c1ccc(cc1)COc1ccccc1c1ccccc1" . "CC(=O)c1ccc(cc1)COc1ccccc1c1ccccc1" . "ZYZDLKZAFQVEKA-UHFFFAOYSA-N" . "InChI=1S/C21H18O2/c1-16(22)18-13-11-17(12-14-18)15-23-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-14H,15H2,1H3" . "Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)CCC1NC(=O)c1ccncc1F)CC1CC1" . "Oc1ccc2c3c1O[C@@H]1C43CCN([C@H](C2)[C@]4(O)CC[C@H]1NC(=O)c1ccncc1F)CC1CC1" . "JRUPWWCGTBJDNY-LNMFUWNLSA-N" . "InChI=1S/C26H28FN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25?,26-/m1/s1" . "CN1CCN(CC1)c1cnc2c(c1)ncnc2C1CCN(CC1)C(=O)c1ccc(cc1N)OC(F)(F)F" . "CN1CCN(CC1)c1cnc2c(c1)ncnc2C1CCN(CC1)C(=O)c1ccc(cc1N)OC(F)(F)F" . "QXURFIGBRGWPQD-UHFFFAOYSA-N" . "InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3" . "OC(=O)Cc1cc(Cl)c(cc1F)Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C1CC1)C(=O)NC(C)(C)C" . "OC(=O)Cc1cc(Cl)c(cc1F)Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C1CC1)C(=O)NC(C)(C)C" . "PFWVGKROPKKEDW-UHFFFAOYSA-N" . "InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)" . "Nc1ncnc(c1)Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O" . "Nc1ncnc(c1)Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O" . "HKTBYUWLRDZAJK-UHFFFAOYSA-N" . "InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)" . "N#Cc1ccc(cc1Cl)OC1C(C)(C)C(C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C1CCN(CC1)C(=O)CC(c1ccc(cc1)c1scnc1C)NC(=O)C1CC(CN1C(=O)C(C(C)(C)C)NC(=O)C1(F)CC1)O" . "N#Cc1ccc(cc1Cl)O[C@@H]1C(C)(C)[C@H](C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C1CCN(CC1)C(=O)C[C@@H](c1ccc(cc1)c1scnc1C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)C1(F)CC1)O" . "CWGVEMFBQJUWLU-RXFAPWBBSA-N" . "InChI=1S/C62H74ClFN8O7S/c1-37-51(80-36-66-37)41-17-15-40(16-18-41)48(67-54(76)49-31-45(73)35-72(49)55(77)52(59(2,3)4)68-58(78)62(64)25-26-62)33-50(74)71-29-23-44(24-30-71)70-27-21-39(22-28-70)10-9-38-11-13-42(14-12-38)53(75)69-56-60(5,6)57(61(56,7)8)79-46-20-19-43(34-65)47(63)32-46/h11-20,32,36,39,44-45,48-49,52,56-57,73H,21-31,33,35H2,1-8H3,(H,67,76)(H,68,78)(H,69,75)/t45-,48+,49+,52-,56-,57-/m1/s1" . "CCN1CCN(CC1)CCCOc1cc2nccc(c2cc1OC)Oc1c(F)cc(cc1F)NC(=O)NN1C(=O)CSC1c1c(F)cccc1F" . "CCN1CCN(CC1)CCCOc1cc2nccc(c2cc1OC)Oc1c(F)cc(cc1F)NC(=O)NN1C(=O)CSC1c1c(F)cccc1F" . "GZVQZLVAKXRTHU-UHFFFAOYSA-N" . "InChI=1S/C35H36F4N6O5S/c1-3-43-11-13-44(14-12-43)10-5-15-49-30-19-27-22(18-29(30)48-2)28(8-9-40-27)50-33-25(38)16-21(17-26(33)39)41-35(47)42-45-31(46)20-51-34(45)32-23(36)6-4-7-24(32)37/h4,6-9,16-19,34H,3,5,10-15,20H2,1-2H3,(H2,41,42,47)" . "Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2" . "Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2" . "IHAXLPDVOWLUOS-UHFFFAOYSA-N" . "InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)" . "COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCCC(c2cc1Cl)C(=O)O" . "COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCC[C@@H](c2cc1Cl)C(=O)O" . "QIDYUNXQPQEJEC-IBGZPJMESA-N" . "InChI=1S/C26H23Cl2NO6/c1-33-22-12-17(27)5-2-15(22)8-10-29-25(30)16-3-6-18(7-4-16)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1" . "COC(=O)C(C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F" . "COC(=O)[C@H](C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F" . "RFCDVEHNYDVCMU-LJQANCHMSA-N" . "InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1" . "OCCCCCn1nc(c(c1c1ccccc1)C)C(=O)NC12CC3CC(C2)CC(C1)C3" . "OCCCCCn1nc(c(c1c1ccccc1)C)C(=O)NC12CC3CC(C2)CC(C1)C3" . "FMJXYCCDMAGPLE-UHFFFAOYSA-N" . "InChI=1S/C26H35N3O2/c1-18-23(25(31)27-26-15-19-12-20(16-26)14-21(13-19)17-26)28-29(10-6-3-7-11-30)24(18)22-8-4-2-5-9-22/h2,4-5,8-9,19-21,30H,3,6-7,10-17H2,1H3,(H,27,31)" . "O=C(c1cnc2c(c1)CC1(C2)C(=O)Nc2c1cccn2)NC1CC(c2ccccc2)C(N(C1=O)CC(F)(F)F)C" . "O=C(c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2)N[C@H]1C[C@@H](c2ccccc2)[C@H](N(C1=O)CC(F)(F)F)C" . "DDOOFTLHJSMHLN-ZQHRPCGSSA-N" . "InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1" . "COC(=O)N1CCN(CC1)C(=N)c1cccc(c1)NC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)N" . "COC(=O)N1CCN(CC1)C(=N)c1cccc(c1)NC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)N" . "UJKWTQWUYKHLGQ-UHFFFAOYSA-N" . "InChI=1S/C27H31N7O7S2/c1-41-27(36)34-15-13-33(14-16-34)25(28)20-3-2-4-22(17-20)32-26(35)31-21-7-11-24(12-8-21)43(39,40)30-18-19-5-9-23(10-6-19)42(29,37)38/h2-12,17,28,30H,13-16,18H2,1H3,(H2,29,37,38)(H2,31,32,35)" . "COc1nccnc1NS(=O)(=O)c1ccc(cc1)N" . "COc1nccnc1NS(=O)(=O)c1ccc(cc1)N" . "KXRZBTAEDBELFD-UHFFFAOYSA-N" . "InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)" . "CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC" . "CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC" . "GPKJTRJOBQGKQK-UHFFFAOYSA-N" . "InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)" . "O=c1nc(OCC2COCCO2)cc2n1CCc1c2ccc(c1)C#CC1CC1" . "O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1c2ccc(c1)C#CC1CC1" . "IRBAWVGZNJIROV-SFHVURJKSA-N" . "InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1" . "COc1ccc(cc1Oc1ccc(cc1CSC(C)(C)C)NC(=O)C(C)(C)C)CC(=O)O" . "COc1ccc(cc1Oc1ccc(cc1CSC(C)(C)C)NC(=O)C(C)(C)C)CC(=O)O" . "SDHFXINHZHARIB-UHFFFAOYSA-N" . "InChI=1S/C25H33NO5S/c1-24(2,3)23(29)26-18-9-11-19(17(14-18)15-32-25(4,5)6)31-21-12-16(13-22(27)28)8-10-20(21)30-7/h8-12,14H,13,15H2,1-7H3,(H,26,29)(H,27,28)" . "COC=CC(=O)c1cc2C=Nc3c2c(n1)c(NC(=O)C(C)C)cc3N" . "CO/C=C/C(=O)c1cc2C=Nc3c2c(n1)c(NC(=O)C(C)C)cc3N" . "OKZVXALNOKYCRL-SNAWJCMRSA-N" . "InChI=1S/C18H18N4O3/c1-9(2)18(24)22-13-7-11(19)16-15-10(8-20-16)6-12(21-17(13)15)14(23)4-5-25-3/h4-9H,19H2,1-3H3,(H,22,24)/b5-4+" . "Fc1ccc(cc1)NC(=O)c1cnc(nc1)SCc1cc(ccc1B(O)O)OC(F)(F)F" . "Fc1ccc(cc1)NC(=O)c1cnc(nc1)SCc1cc(ccc1B(O)O)OC(F)(F)F" . "SDUDZBCEHIZMFZ-UHFFFAOYSA-N" . "InChI=1S/C19H14BF4N3O4S/c21-13-1-3-14(4-2-13)27-17(28)12-8-25-18(26-9-12)32-10-11-7-15(31-19(22,23)24)5-6-16(11)20(29)30/h1-9,29-30H,10H2,(H,27,28)" . "COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2" . "COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2" . "WSVDLXWYJRCDBZ-UHFFFAOYSA-N" . "InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13,27H,9-12,14H2,1H3" . "COCCOCCOCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cc(O)cc(c1)F)Cc1ccccc1C(F)(F)F" . "COCCOCCOCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cc(O)cc(c1)F)Cc1ccccc1C(F)(F)F" . "JTACVHJPXOKMTI-UHFFFAOYSA-N" . "InChI=1S/C36H31F4N7O5/c1-50-12-13-52-15-14-51-11-5-8-22-7-4-10-28-30(22)35(49)46(19-23-6-2-3-9-27(23)36(38,39)40)29(44-28)20-47-34-31(33(41)42-21-43-34)32(45-47)24-16-25(37)18-26(48)17-24/h2-4,6-7,9-10,16-18,21,48H,11-15,19-20H2,1H3,(H2,41,42,43)" . "COCCN(C(=O)CCCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cccc(c1)O)Cc1ccccc1Cl)CCOC" . "COCCN(C(=O)CCCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cccc(c1)O)Cc1ccccc1Cl)CCOC" . "UBLOHCIYTDRGJH-UHFFFAOYSA-N" . "InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)" . "C[NH+](CC1C(=O)OC2C1CCC(=C1C2C(C)(O)CC1)C)C" . "C[NH+](C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(=C1[C@@H]2[C@](C)(O)CC1)C)C" . "ZPBIJIIQXPRJSS-WNZSCWOMSA-O" . "InChI=1S/C17H27NO3/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20/h12-15,20H,5-9H2,1-4H3/p+1/t12-,13-,14-,15-,17+/m0/s1" . "COc1ccccc1OCCNCC(CCOc1cccc2c1c1ccccc1[nH]2)O" . "COc1ccccc1OCCNCC(CCOc1cccc2c1c1ccccc1[nH]2)O" . "OHYHNEODRHJYSS-UHFFFAOYSA-N" . "InChI=1S/C25H28N2O4/c1-29-22-10-4-5-11-23(22)31-16-14-26-17-18(28)13-15-30-24-12-6-9-21-25(24)19-7-2-3-8-20(19)27-21/h2-12,18,26-28H,13-17H2,1H3" . "COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C" . "COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C" . "FAIIFDPAEUKBEP-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCN(C1)Cc1ccccc1)C" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCN(C1)Cc1ccccc1)C" . "QZVNQOLPLYWLHQ-UHFFFAOYSA-N" . "InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3" . "Clc1ccc(cc1)C1(CC1)c1nnc2n1cccc2C(O)(C)C" . "Clc1ccc(cc1)C1(CC1)c1nnc2n1cccc2C(O)(C)C" . "PTIFVLOBVCIMKL-UHFFFAOYSA-N" . "InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3" . "N#CNC1CCc2c1cc(cc2)c1ncnc2c1c(c[nH]2)c1ccccc1" . "N#CN[C@H]1CCc2c1cc(cc2)c1ncnc2c1c(c[nH]2)c1ccccc1" . "LOSIDNZHKAVMKF-IBGZPJMESA-N" . "InChI=1S/C22H17N5/c23-12-25-19-9-8-15-6-7-16(10-17(15)19)21-20-18(14-4-2-1-3-5-14)11-24-22(20)27-13-26-21/h1-7,10-11,13,19,25H,8-9H2,(H,24,26,27)/t19-/m0/s1" . "N#CNC1CC(c2c1cc(cc2)c1ncnc2c1cc[nH]2)NS(=O)(=O)c1cccc(c1)F" . "N#CN[C@H]1C[C@H](c2c1cc(cc2)c1ncnc2c1cc[nH]2)NS(=O)(=O)c1cccc(c1)F" . "MLJSOTTYIVCEQO-VQTJNVASSA-N" . "InChI=1S/C22H17FN6O2S/c23-14-2-1-3-15(9-14)32(30,31)29-20-10-19(26-11-24)18-8-13(4-5-16(18)20)21-17-6-7-25-22(17)28-12-27-21/h1-9,12,19-20,26,29H,10H2,(H,25,27,28)/t19-,20+/m0/s1" . "CCn1cc(c2c1ncnc2N)c1ccc2c(c1)CCN2C(=O)Cc1cccc(c1)OC(F)(F)F" . "CCn1cc(c2c1ncnc2N)c1ccc2c(c1)CCN2C(=O)Cc1cccc(c1)OC(F)(F)F" . "APPXQUDJLJXULP-UHFFFAOYSA-N" . "InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31)" . "O=C(Nc1sc(c(n1)c1ccc2c(c1)CCN2C(=O)c1ccccc1C)C)Cc1ccc2c(c1)OCO2" . "O=C(Nc1sc(c(n1)c1ccc2c(c1)CCN2C(=O)c1ccccc1C)C)Cc1ccc2c(c1)OCO2" . "LINHYWKZVCNAMQ-UHFFFAOYSA-N" . "InChI=1S/C29H25N3O4S/c1-17-5-3-4-6-22(17)28(34)32-12-11-20-15-21(8-9-23(20)32)27-18(2)37-29(31-27)30-26(33)14-19-7-10-24-25(13-19)36-16-35-24/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,31,33)" . "O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)CC1NCCCC1O" . "O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)CC1NCCCC1O" . "LVASCWIMLIKXLA-UHFFFAOYSA-N" . "InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2" . "O[C@@H]1CCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)c1ccnc(c1)C)N1CCOCC1" . "O[C@@H]1CCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)c1ccnc(c1)C)N1CCOCC1" . "SJHNWSAWWOAWJH-MRXNPFEDSA-N" . "InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1" . "COc1cc(C=O)ccc1O" . "COc1cc(C=O)ccc1O" . "MWOOGOJBHIARFG-UHFFFAOYSA-N" . "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3" . "CSc1cc(C)nc(c1NC(=O)CN1CCN(CC1)CCSc1nc2c([nH]1)cccc2)SC" . "CSc1cc(C)nc(c1NC(=O)CN1CCN(CC1)CCSc1nc2c([nH]1)cccc2)SC" . "VGGMTOYKEDKFLN-UHFFFAOYSA-N" . "InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)" . "O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)S(=O)(=O)N" . "O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)S(=O)(=O)N" . "YJQZNWPYLCNRLP-UHFFFAOYSA-N" . "InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)" . "COc1cc2c(=O)n(CC3CCCCC3)c3c(c2cc1OC)cnc1c3cc[nH]1" . "COc1cc2c(=O)n(CC3CCCCC3)c3c(c2cc1OC)cnc1c3cc[nH]1" . "RSFALMGMTQBFJZ-UHFFFAOYSA-N" . "InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)" . "N#CC1CN(C1)C(=O)C(n1c(=O)c2cc(OC)c(cc2c2c1c1cc[nH]c1nc2)OC)CC" . "N#CC1CN(C1)C(=O)[C@H](n1c(=O)c2cc(OC)c(cc2c2c1c1cc[nH]c1nc2)OC)CC" . "ZDNBWZRRFSXDFS-GOSISDBHSA-N" . "InChI=1S/C24H23N5O4/c1-4-18(24(31)28-11-13(9-25)12-28)29-21-14-5-6-26-22(14)27-10-17(21)15-7-19(32-2)20(33-3)8-16(15)23(29)30/h5-8,10,13,18H,4,11-12H2,1-3H3,(H,26,27)/t18-/m1/s1" . "Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1" . "Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1" . "XBEBHNXBLIDZDS-UHFFFAOYSA-N" . "InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2" . "CC(=O)N1CCN(CC1)Cc1ccc(cc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O" . "CC(=O)N1CCN(CC1)Cc1ccc(cc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O" . "LTFVNEZXOPUABB-UHFFFAOYSA-N" . "InChI=1S/C22H22F6N2O2/c1-15(31)30-12-10-29(11-13-30)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20(32,21(23,24)25)22(26,27)28/h2-9,32H,10-14H2,1H3" . "Fc1cc(ccc1c1ccc(cc1)CN1CCN(CC1)Cc1ccncc1)C(C(F)(F)F)(C(F)(F)F)O" . "Fc1cc(ccc1c1ccc(cc1)CN1CCN(CC1)Cc1ccncc1)C(C(F)(F)F)(C(F)(F)F)O" . "KVHKWAZUPPBMLL-UHFFFAOYSA-N" . "InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2" . "CC(=O)Nc1nc(c(s1)S(=O)(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)C" . "CC(=O)Nc1nc(c(s1)S(=O)(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)C" . "OZBSSKGBKHOLGA-UHFFFAOYSA-N" . "InChI=1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)" . "Nc1ncc(c(c1)C(F)F)c1nc(nc(n1)N1C2COCC1CC2)N1C2COCC1CC2" . "Nc1ncc(c(c1)C(F)F)c1nc(nc(n1)N1C2COCC1CC2)N1C2COCC1CC2" . "UGDKPWVVBKHRDK-UHFFFAOYSA-N" . "InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)" . "CN(CC=CC(=O)Nc1cccc(c1)C(c1cc2c(s1)c(ccn2)C(=O)O)OCCN1CCCCC1)C" . "CN(C/C=C/C(=O)Nc1cccc(c1)C(c1cc2c(s1)c(ccn2)C(=O)O)OCCN1CCCCC1)C" . "KIIDGZQVWULCMZ-JXMROGBWSA-N" . "InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+" . "O=C(c1cc2c(o1)C(=O)c1c(C2=O)cccc1)NCCN1CCCCC1" . "O=C(c1cc2c(o1)C(=O)c1c(C2=O)cccc1)NCCN1CCCCC1" . "MLNGLWWCXHUBMT-UHFFFAOYSA-N" . "InChI=1S/C20H20N2O4/c23-17-13-6-2-3-7-14(13)18(24)19-15(17)12-16(26-19)20(25)21-8-11-22-9-4-1-5-10-22/h2-3,6-7,12H,1,4-5,8-11H2,(H,21,25)" . "CCCCCC(c1c(C=CC(C(CCCC(=O)OC)O)O)nc(n1C)C)O" . "CCCCC[C@H](c1c(/C=C/[C@H]([C@H](CCCC(=O)OC)O)O)nc(n1C)C)O" . "PLBGFBROZZUTKG-PHCFSIKCSA-N" . "InChI=1S/C20H34N2O5/c1-5-6-7-9-18(25)20-15(21-14(2)22(20)3)12-13-17(24)16(23)10-8-11-19(26)27-4/h12-13,16-18,23-25H,5-11H2,1-4H3/b13-12+/t16-,17+,18+/m0/s1" . "N#Cc1cc(cnc1N1CCN(CC1)c1noc(n1)C(C)C)c1ccc(c(c1)F)n1cnn(c1=O)C1COCC1" . "N#Cc1cc(cnc1N1CCN(CC1)c1noc(n1)C(C)C)c1ccc(c(c1)F)n1cnn(c1=O)[C@@H]1COCC1" . "READJNFYOAOOFN-NRFANRHFSA-N" . "InChI=1S/C27H28FN9O3/c1-17(2)25-32-26(33-40-25)35-8-6-34(7-9-35)24-19(13-29)11-20(14-30-24)18-3-4-23(22(28)12-18)36-16-31-37(27(36)38)21-5-10-39-15-21/h3-4,11-12,14,16-17,21H,5-10,15H2,1-2H3/t21-/m0/s1" . "C=CC(=O)Nc1cc(Nc2nccc(n2)n2cc(c(n2)c2ccccc2)CN(C)C)c(cc1N1CCOCC1)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)n2cc(c(n2)c2ccccc2)CN(C)C)c(cc1N1CCOCC1)OC" . "RRMJMHOQSALEJJ-UHFFFAOYSA-N" . "InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)" . "FC(c1nccc2c1ccc(c2)Nc1n[nH]c2c1cccn2)(F)F" . "FC(c1nccc2c1ccc(c2)Nc1n[nH]c2c1cccn2)(F)F" . "RUEXKBWCUUFJMY-UHFFFAOYSA-N" . "InChI=1S/C16H10F3N5/c17-16(18,19)13-11-4-3-10(8-9(11)5-7-20-13)22-15-12-2-1-6-21-14(12)23-24-15/h1-8H,(H2,21,22,23,24)" . "NC(=O)CCC(C(=O)O)N" . "NC(=O)CC[C@@H](C(=O)O)N" . "ZDXPYRJPNDTMRX-VKHMYHEASA-N" . "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" . "Fc1ccc(cc1)c1cc(C(=O)N)c2c(c1)c(c[nH]2)C1CCS(=O)(=O)C(C1)(C)C" . "Fc1ccc(cc1)c1cc(C(=O)N)c2c(c1)c(c[nH]2)[C@@H]1CCS(=O)(=O)C(C1)(C)C" . "YGYGASJNJTYNOL-CQSZACIVSA-N" . "InChI=1S/C22H23FN2O3S/c1-22(2)11-14(7-8-29(22,27)28)19-12-25-20-17(19)9-15(10-18(20)21(24)26)13-3-5-16(23)6-4-13/h3-6,9-10,12,14,25H,7-8,11H2,1-2H3,(H2,24,26)/t14-/m1/s1" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(cc1)c1coc2c1c(N)ncn2" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(cc1)c1coc2c1c(N)ncn2" . "KNDPXYAMINMLED-UHFFFAOYSA-N" . "InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)" . "O=C(C(C)(C)C)N1N=CCC1c1ccccc1" . "O=C(C(C)(C)C)N1N=CC[C@H]1c1ccccc1" . "NJQVSLWJBLPTMD-LBPRGKRZSA-N" . "InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1" . "CCCC(Nc1ncc2c(n1)n(cc2c1ccc(cc1)CN1CCCN(CC1)C)C1CCC(CC1)O)C" . "CCC[C@@H](Nc1ncc2c(n1)n(cc2c1ccc(cc1)CN1CCCN(CC1)C)[C@@H]1CC[C@H](CC1)O)C" . "HYUGTGGDEAGXJP-HRNNMHKYSA-N" . "InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1" . "COCC(=O)NCCc1c(C)[nH]c2c1cc(O)cc2" . "COCC(=O)NCCc1c(C)[nH]c2c1cc(O)cc2" . "YBXBWBBVLXZQBJ-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)" . "O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C" . "O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C" . "FYDWDCIFZSGNBU-UHFFFAOYSA-N" . "InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43)" . "COc1cc(cc2c1n(CC=CCn1c(NC(=O)c3cc(nn3CC)C)nc3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)c(n2)NC(=O)c1cc(nn1CC)C)C(=O)N" . "COc1cc(cc2c1n(C/C=C/Cn1c(NC(=O)c3cc(nn3CC)C)nc3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)c(n2)NC(=O)c1cc(nn1CC)C)C(=O)N" . "JGLMVXWAHNTPRF-CMDGGOBGSA-N" . "InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+" . "CCn1nc(cc1C(=O)Nc1nc2c(n1CCCCn1c(NC(=O)c3cc(nn3CC)C)nc3c1ccc(c3)C(=O)N)ccc(c2)C(=O)N)C" . "CCn1nc(cc1C(=O)Nc1nc2c(n1CCCCn1c(NC(=O)c3cc(nn3CC)C)nc3c1ccc(c3)C(=O)N)ccc(c2)C(=O)N)C" . "ICZSAXDKFXTSGL-UHFFFAOYSA-N" . "InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50)" . "[O-][N+](=O)c1ccc2c(c1)C(=O)c1n2c(=O)c2c(n1)cccc2" . "[O-][N+](=O)c1ccc2c(c1)C(=O)c1n2c(=O)c2c(n1)cccc2" . "UFMQJYHLIUACCG-UHFFFAOYSA-N" . "InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H" . "Cc1csc2c1cc(cc2)c1cc(Nc2cnccc2S(=O)(=O)C)cc2c1nccn2" . "Cc1csc2c1cc(cc2)c1cc(Nc2cnccc2S(=O)(=O)C)cc2c1nccn2" . "CYJRNFFLTBEQSQ-UHFFFAOYSA-N" . "InChI=1S/C23H18N4O2S2/c1-14-13-30-21-4-3-15(9-17(14)21)18-10-16(11-19-23(18)26-8-7-25-19)27-20-12-24-6-5-22(20)31(2,28)29/h3-13,27H,1-2H3" . "O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1ccc(cc1)OC(F)(F)F" . "O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1ccc(cc1)OC(F)(F)F" . "LWLSVNFEVKJDBZ-UHFFFAOYSA-N" . "InChI=1S/C26H23F6N3O3/c27-25(28,29)19-4-9-23(33-16-19)37-22-3-1-2-18(15-22)14-17-10-12-35(13-11-17)24(36)34-20-5-7-21(8-6-20)38-26(30,31)32/h1-9,15-17H,10-14H2,(H,34,36)" . "COC(=O)c1cc(ccc1S(=O)(=O)Nc1cc(Br)c(cc1C)F)NS(=O)(=O)c1cc(Cl)cc(c1)Cl" . "COC(=O)c1cc(ccc1S(=O)(=O)Nc1cc(Br)c(cc1C)F)NS(=O)(=O)c1cc(Cl)cc(c1)Cl" . "FKFQBYBODAKGOA-UHFFFAOYSA-N" . "InChI=1S/C21H16BrCl2FN2O6S2/c1-11-5-18(25)17(22)10-19(11)27-35(31,32)20-4-3-14(9-16(20)21(28)33-2)26-34(29,30)15-7-12(23)6-13(24)8-15/h3-10,26-27H,1-2H3" . "CCc1ccc(cc1)NC(=O)Nc1c[nH]c2c1cccc2" . "CCc1ccc(cc1)NC(=O)Nc1c[nH]c2c1cccc2" . "UJZDIKVQFMCLBE-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21)" . "Clc1cccc(c1)CCCCCC(=O)N1CCOC1=O" . "Clc1cccc(c1)CCCCCC(=O)N1CCOC1=O" . "XNQIFNVZSXXYRQ-UHFFFAOYSA-N" . "InChI=1S/C15H18ClNO3/c16-13-7-4-6-12(11-13)5-2-1-3-8-14(18)17-9-10-20-15(17)19/h4,6-7,11H,1-3,5,8-10H2" . "CCS(=O)(=O)c1ccccc1C(=O)N1CCN(CC1C)c1sc2c(n1)ccc(c2)F" . "CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1sc2c(n1)ccc(c2)F" . "UKQOLPNYRVPCBM-AWEZNQCLSA-N" . "InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1" . "OC1CCC(CC1)Nc1ccc(cc1C(=O)N)c1ccc(cc1)C(C)C" . "O[C@@H]1CC[C@H](CC1)Nc1ccc(cc1C(=O)N)c1ccc(cc1)C(C)C" . "JMGDXIHGWTVBMX-WGSAOQKQSA-N" . "InChI=1S/C22H28N2O2/c1-14(2)15-3-5-16(6-4-15)17-7-12-21(20(13-17)22(23)26)24-18-8-10-19(25)11-9-18/h3-7,12-14,18-19,24-25H,8-11H2,1-2H3,(H2,23,26)/t18-,19-" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)C(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(CO)N)CC(=O)N)CO)CCC(=O)O)CO)Cc1ccccc1)CCCCNNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(=O)N)C(O)C)CO)CCC(=O)O)CO)Cc1ccccc1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)N)CC(C)C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(CCC(=O)O)NN)CCCCN)CCC(=O)N)C" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(=O)N)CO)CCC(=O)O)CO)Cc1ccccc1)CCCCNN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C=O)CO)CC(=O)N)[C@@H](O)C)CO)CCC(=O)O)CO)Cc1ccccc1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)N)CC(C)C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NN)CCCCN)CCC(=O)N)C" . "YQYGGOPUTPQHAY-KIQLFZLRSA-N" . "InChI=1S/C142H226N40O48/c1-12-71(6)110(176-124(213)83(36-22-25-51-143)158-125(214)89(180-152)45-50-108(201)202)137(226)163-85(41-46-102(146)193)118(207)156-73(8)116(205)165-90(38-23-26-52-144)141(230)182-55-29-40-101(182)135(224)155-72(7)114(203)115(204)91(56-69(2)3)166-120(209)86(42-47-103(147)194)164-138(227)113(76(11)192)179-136(225)109(70(4)5)175-123(212)84(39-28-53-153-142(150)151)160-127(216)92(57-77-30-16-13-17-31-77)168-119(208)82(159-128(217)93(58-78-32-18-14-19-33-78)169-133(222)98(66-187)171-121(210)87(43-48-106(197)198)162-132(221)99(67-188)174-140(229)112(75(10)191)177-129(218)95(61-105(149)196)167-117(206)81(145)64-185)37-24-27-54-154-181-96(59-79-34-20-15-21-35-79)130(219)173-97(65-186)131(220)161-88(44-49-107(199)200)122(211)172-100(68-189)134(223)178-111(74(9)190)139(228)170-94(60-104(148)195)126(215)157-80(62-183)63-184/h13-21,30-35,62,69-76,80-101,109-113,154,180-181,184-192H,12,22-29,36-61,63-68,143-145,152H2,1-11H3,(H2,146,193)(H2,147,194)(H2,148,195)(H2,149,196)(H,155,224)(H,156,207)(H,157,215)(H,158,214)(H,159,217)(H,160,216)(H,161,220)(H,162,221)(H,163,226)(H,164,227)(H,165,205)(H,166,209)(H,167,206)(H,168,208)(H,169,222)(H,170,228)(H,171,210)(H,172,211)(H,173,219)(H,174,229)(H,175,212)(H,176,213)(H,177,218)(H,178,223)(H,179,225)(H,197,198)(H,199,200)(H,201,202)(H4,150,151,153)/t71-,72-,73-,74+,75+,76+,80-,81+,82?,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,109+,110+,111+,112+,113+/m1/s1" . "CCOc1cc(CN2CCC3(CC2)NC(=O)N(C3)c2ccc(cc2)C(=O)O)c(cc1C)C1CC1" . "CCOc1cc(CN2CCC3(CC2)NC(=O)N(C3)c2ccc(cc2)C(=O)O)c(cc1C)C1CC1" . "WERPJWHERZIQSB-UHFFFAOYSA-N" . "InChI=1S/C27H33N3O4/c1-3-34-24-15-21(23(14-18(24)2)19-4-5-19)16-29-12-10-27(11-13-29)17-30(26(33)28-27)22-8-6-20(7-9-22)25(31)32/h6-9,14-15,19H,3-5,10-13,16-17H2,1-2H3,(H,28,33)(H,31,32)" . "NCCC(C(=O)NC(C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C" . "NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C" . "VTNCZBXJSGKDLS-SFTDATJTSA-N" . "InChI=1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1" . "Fc1ccc(cc1)c1cnc([nH]1)C1Cc2c3ccccc3[nH]c2C(N1)(c1noc(n1)C)c1cnn(c1)C" . "Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C" . "NTIFDLOQPKMIJK-AJTFRIOCSA-N" . "InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1" . "Clc1cccc(c1CSc1nnc(o1)c1[nH]ccc1)Cl" . "Clc1cccc(c1CSc1nnc(o1)c1[nH]ccc1)Cl" . "MNPOBXLPCWFONX-UHFFFAOYSA-N" . "InChI=1S/C13H9Cl2N3OS/c14-9-3-1-4-10(15)8(9)7-20-13-18-17-12(19-13)11-5-2-6-16-11/h1-6,16H,7H2" . "OC(=O)c1cc(oc1C)c1cccs1" . "OC(=O)c1cc(oc1C)c1cccs1" . "YXDCRSXNEOKXDE-UHFFFAOYSA-N" . "InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)" . "OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F" . "OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F" . "HZJWJNHYKNSGAT-UHFFFAOYSA-N" . "InChI=1S/C21H15F2NO4/c22-15-4-1-3-13(9-15)14-7-8-19(23)18(10-14)21(27)24-16-5-2-6-17(11-16)28-12-20(25)26/h1-11H,12H2,(H,24,27)(H,25,26)" . "CCCCOc1cc2C(=O)OC(Cc2c(c1OC)C=O)O" . "CCCCOc1cc2C(=O)OC(Cc2c(c1OC)C=O)O" . "DAVCIYWSVYDJKW-UHFFFAOYSA-N" . "InChI=1S/C15H18O6/c1-3-4-5-20-12-6-10-9(7-13(17)21-15(10)18)11(8-16)14(12)19-2/h6,8,13,17H,3-5,7H2,1-2H3" . "COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C" . "COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C" . "CQLSAYKHANAIMX-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,18-19,25H,9-12,16H2,1-2H3" . "O=C(N1C(CSC1c1ccccc1Cl)C(=O)O)c1ccc(cc1)c1c(C)noc1C" . "O=C(N1[C@H](CS[C@H]1c1ccccc1Cl)C(=O)O)c1ccc(cc1)c1c(C)noc1C" . "RZAMDGBOOPJHJQ-NQIIRXRSSA-N" . "InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m1/s1" . "O=C(C1CCC(CC1)(F)F)NC(c1ccsc1)CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C" . "O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C" . "KESMRFWRGXZDEF-KIHHCIJBSA-N" . "InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)23-14-21-4-5-22(15-23)33(21)12-8-24(20-9-13-36-16-20)30-26(35)19-6-10-27(28,29)11-7-19/h9,13,16-17,19,21-24H,4-8,10-12,14-15H2,1-3H3,(H,30,35)/t21-,22+,23-,24-/m0/s1" . "CN1CCN(CC1)Cc1cc(NC(=O)c2ccc(c(c2)C#Cc2cnc3n2ccnc3)C(C)C)cc(c1)C(F)(F)F" . "CN1CCN(CC1)Cc1cc(NC(=O)c2ccc(c(c2)C#Cc2cnc3n2ccnc3)C(C)C)cc(c1)C(F)(F)F" . "IUGBGEUCXVKGQK-UHFFFAOYSA-N" . "InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)" . "NC(=O)NCCCC(C(=O)O)N" . "NC(=O)NCCC[C@@H](C(=O)O)N" . "RHGKLRLOHDJJDR-BYPYZUCNSA-N" . "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1" . "Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1" . "Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1" . "WUZYKBABMWJHDL-UHFFFAOYSA-N" . "InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3" . "Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C" . "Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C" . "PVLJETXTTWAYEW-UHFFFAOYSA-N" . "InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)" . "CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C" . "CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C" . "MVMQESMQSYOVGV-UHFFFAOYSA-N" . "InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3" . "O=C(C1CCc2n1c(=O)ccn2)Nc1ccc(cc1)CC1CCC(N1)C(c1ccccc1)O" . "O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O" . "DJXRIQMCROIRCZ-XOEOCAAJSA-N" . "InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1" . "O=C1OC(CN1c1ccc(cc1)n1ccccc1=O)CNC(=O)c1ccc(s1)Cl" . "O=C1O[C@H](CN1c1ccc(cc1)n1ccccc1=O)CNC(=O)c1ccc(s1)Cl" . "MXWOUAQNXIUJIN-HNNXBMFYSA-N" . "InChI=1S/C20H16ClN3O4S/c21-17-9-8-16(29-17)19(26)22-11-15-12-24(20(27)28-15)14-6-4-13(5-7-14)23-10-2-1-3-18(23)25/h1-10,15H,11-12H2,(H,22,26)/t15-/m0/s1" . "CCOc1c(C2CNC(=O)C2)c(F)c(cc1[C@@H](n1nc(c2c1ncnc2N)C)C)Cl" . "CCOc1c(C2CNC(=O)C2)c(F)c(cc1[C@@H](n1nc(c2c1ncnc2N)C)C)Cl" . "ZQPDJCIXJHUERQ-VUWPPUDQSA-N" . "InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11?/m0/s1" . "Nc1ncc(cn1)c1nc(N2CCOCC2)c2c(n1)n1CCOC(c1n2)(C)C" . "Nc1ncc(cn1)c1nc(N2CCOCC2)c2c(n1)n1CCOC(c1n2)(C)C" . "LGWACEZVCMBSKW-UHFFFAOYSA-N" . "InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)" . "Fc1ccc2c(c1)c(=O)n(c(n2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccc1" . "Fc1ccc2c(c1)c(=O)n(c(n2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccc1" . "DOCINCLJNAXZQF-LBPRGKRZSA-N" . "InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1" . "O=C1N=C(SC1=Cc1ccc2c(c1)cccn2)NCc1cccs1" . "O=C1N=C(SC1=Cc1ccc2c(c1)cccn2)NCc1cccs1" . "XOLMRFUGOINFDQ-UHFFFAOYSA-N" . "InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)" . "OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1nc(N)nc(n1)Nc1cnn(c1)C" . "OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1nc(N)nc(n1)Nc1cnn(c1)C" . "RQYDQAPLARKISN-UHFFFAOYSA-N" . "InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)" . "NC(=O)CS(=O)C(c1ccccc1)c1ccccc1" . "NC(=O)CS(=O)C(c1ccccc1)c1ccccc1" . "YFGHCGITMMYXAQ-UHFFFAOYSA-N" . "InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)" . "Nc1ncc(nc1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N1CCNCC1" . "Nc1ncc(nc1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N1CCNCC1" . "GGOFGCMPKAWHEZ-UHFFFAOYSA-N" . "InChI=1S/C22H20F3N5O/c23-22(24,25)17-7-5-15(6-8-17)19-20(26)28-13-18(29-19)14-1-3-16(4-2-14)21(31)30-11-9-27-10-12-30/h1-8,13,27H,9-12H2,(H2,26,28)" . "Clc1ccc2c(c1)c(=O)cc(o2)C(Cl)(Cl)Cl" . "Clc1ccc2c(c1)c(=O)cc(o2)C(Cl)(Cl)Cl" . "NTDHYMSVCBGQJF-UHFFFAOYSA-N" . "InChI=1S/C10H4Cl4O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-4H" . "CCCCCCCCCCCC(CC(=O)NC1C(OCC(C(=O)O)NC(=O)CC(OC(=O)CCCCCCC)CCCCCCCCCCC)OC(C(C1OC(=O)CC(OC(=O)CCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OC(=O)CCCCCCC" . "CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OC(=O)CCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OC(=O)CCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OC(=O)CCCCCCC" . "WNFNQTGQGFHQLU-NRBIUWCVSA-N" . "InChI=1S/C75H139N2O19P/c1-7-13-19-25-28-31-34-40-43-49-60(91-67(81)52-46-37-22-16-10-4)55-65(79)76-63(74(85)86)59-90-75-71(77-66(80)56-61(92-68(82)53-47-38-23-17-11-5)50-44-41-35-32-29-26-20-14-8-2)73(72(64(58-78)94-75)96-97(87,88)89)95-70(84)57-62(93-69(83)54-48-39-24-18-12-6)51-45-42-36-33-30-27-21-15-9-3/h60-64,71-73,75,78H,7-59H2,1-6H3,(H,76,79)(H,77,80)(H,85,86)(H2,87,88,89)/t60-,61-,62-,63+,64-,71-,72-,73-,75-/m1/s1" . "O=C1NC(C(=O)N1CCCCc1ccc(c(c1)C#Cc1cnc2n1nccc2)C)Cc1c[nH]c2c1cccc2Cl" . "O=C1NC(C(=O)N1CCCCc1ccc(c(c1)C#Cc1cnc2n1nccc2)C)Cc1c[nH]c2c1cccc2Cl" . "ZQSZVECJMJELSV-UHFFFAOYSA-N" . "InChI=1S/C31H27ClN6O2/c1-20-10-11-21(16-22(20)12-13-24-19-33-28-9-5-14-35-38(24)28)6-2-3-15-37-30(39)27(36-31(37)40)17-23-18-34-29-25(23)7-4-8-26(29)32/h4-5,7-11,14,16,18-19,27,34H,2-3,6,15,17H2,1H3,(H,36,40)" . "NCC(c1ccc(c(c1)O)O)O" . "NCC(c1ccc(c(c1)O)O)O" . "SFLSHLFXELFNJZ-UHFFFAOYSA-N" . "InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2" . "Oc1ccc(c(c1)C(F)(F)F)Cn1ccc(n1)NC(=O)c1c(F)cccc1F" . "Oc1ccc(c(c1)C(F)(F)F)Cn1ccc(n1)NC(=O)c1c(F)cccc1F" . "CPYTVBALBFSXSH-UHFFFAOYSA-N" . "InChI=1S/C18H12F5N3O2/c19-13-2-1-3-14(20)16(13)17(28)24-15-6-7-26(25-15)9-10-4-5-11(27)8-12(10)18(21,22)23/h1-8,27H,9H2,(H,24,25,28)" . "Clc1cc2OC(Oc2cc1c1ncc(nc1)NC(=O)c1c(C)cccc1F)(F)F" . "Clc1cc2OC(Oc2cc1c1ncc(nc1)NC(=O)c1c(C)cccc1F)(F)F" . "QQMKTHUGOQDEIL-UHFFFAOYSA-N" . "InChI=1S/C19H11ClF3N3O3/c1-9-3-2-4-12(21)17(9)18(27)26-16-8-24-13(7-25-16)10-5-14-15(6-11(10)20)29-19(22,23)28-14/h2-8H,1H3,(H,25,26,27)" . "COc1ccc2c(n1)c(Nc1cc(CN3CCCC3)c(c(c1)CN1CCCC1)O)c1c(n2)cc(cc1)Cl" . "COc1ccc2c(n1)c(Nc1cc(CN3CCCC3)c(c(c1)CN1CCCC1)O)c1c(n2)cc(cc1)Cl" . "DJUFPMUQJKWIJB-UHFFFAOYSA-N" . "InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)" . "O=C(c1cnc(cn1)Oc1ccc2c(c1C)B(O)OC2)N1CC(C1)(C)O" . "O=C(c1cnc(cn1)Oc1ccc2c(c1C)B(O)OC2)N1CC(C1)(C)O" . "VNWPYEKDGLKRAV-UHFFFAOYSA-N" . "InChI=1S/C17H18BN3O5/c1-10-13(4-3-11-7-25-18(24)15(10)11)26-14-6-19-12(5-20-14)16(22)21-8-17(2,23)9-21/h3-6,23-24H,7-9H2,1-2H3" . "C=CC(=O)NCCOc1ccc(cc1)c1[nH]c2c(C#N)cnn2c(=O)c1C(C)C" . "C=CC(=O)NCCOc1ccc(cc1)c1[nH]c2c(C#N)cnn2c(=O)c1C(C)C" . "GAWCCMHWAMQURK-UHFFFAOYSA-N" . "InChI=1S/C21H21N5O3/c1-4-17(27)23-9-10-29-16-7-5-14(6-8-16)19-18(13(2)3)21(28)26-20(25-19)15(11-22)12-24-26/h4-8,12-13,25H,1,9-10H2,2-3H3,(H,23,27)" . "CCC(c1onc(n1)c1ccc(c(c1)F)C(=O)NC(CO)C)Oc1ccc(cc1)C(=O)C1CC1" . "CC[C@H](c1onc(n1)c1ccc(c(c1)F)C(=O)N[C@@H](CO)C)Oc1ccc(cc1)C(=O)C1CC1" . "LRXRIKVDAVVQCP-SPLOXXLWSA-N" . "InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1" . "NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)c2ccccn2)n2c(n1)c(cn2)C(C)C" . "N[C@@H]1CC[C@H](CC1)Nc1nc(NCc2ccc(cc2)c2ccccn2)n2c(n1)c(cn2)C(C)C" . "PRJNNPMIUGYOST-MEMLXQNLSA-N" . "InChI=1S/C26H32N8/c1-17(2)22-16-30-34-24(22)32-25(31-21-12-10-20(27)11-13-21)33-26(34)29-15-18-6-8-19(9-7-18)23-5-3-4-14-28-23/h3-9,14,16-17,20-21H,10-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-" . "O=C(Nc1ccc(cc1C)OCc1nc2c(s1)cccc2)Nc1ccc(c(c1)Cl)Cl" . "O=C(Nc1ccc(cc1C)OCc1nc2c(s1)cccc2)Nc1ccc(c(c1)Cl)Cl" . "FGXLEECGXSDIMM-UHFFFAOYSA-N" . "InChI=1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28)" . "COc1ccc(cc1)c1nc(sc1C(=O)c1ccccc1)N(c1ccccc1)c1ccccc1" . "COc1ccc(cc1)c1nc(sc1C(=O)c1ccccc1)N(c1ccccc1)c1ccccc1" . "GCBYJNQEZBSRJO-UHFFFAOYSA-N" . "InChI=1S/C29H22N2O2S/c1-33-25-19-17-21(18-20-25)26-28(27(32)22-11-5-2-6-12-22)34-29(30-26)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3" . "CCC(c1ccc(cc1)C)NC(=O)Nc1ccc(cc1)Cl" . "CCC(c1ccc(cc1)C)NC(=O)Nc1ccc(cc1)Cl" . "FKBYZUDELOWDJW-UHFFFAOYSA-N" . "InChI=1S/C17H19ClN2O/c1-3-16(13-6-4-12(2)5-7-13)20-17(21)19-15-10-8-14(18)9-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)" . "N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)C1CCN(CC1)C(=O)C(C)C" . "N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)C1CCN(CC1)C(=O)C(C)C" . "BIHPJIJLDNUDGH-UHFFFAOYSA-N" . "InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)" . "C=CC(=O)N1CC2CC1CN2c1ccc(c(n1)Oc1ccc(cc1)Oc1ccccc1)C(=O)N" . "C=CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(c(n1)Oc1ccc(cc1)Oc1ccccc1)C(=O)N" . "FVEYIFISRORTDD-ROUUACIJSA-N" . "InChI=1S/C26H24N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h2-13,17-18H,1,14-16H2,(H2,27,32)/t17-,18-/m0/s1" . "COc1cc(ccc1O)c1[nH]c(=O)nc(c1)c1ccc(cc1)Cl" . "COc1cc(ccc1O)c1[nH]c(=O)nc(c1)c1ccc(cc1)Cl" . "BYYRNPIGDRRGLJ-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)" . "ON=Cc1nc(CCCCNc2c3CCCCc3[nH+]c3c2cc(Cl)cc3)ccc1O" . "O/N=C/c1nc(CCCCNc2c3CCCCc3[nH+]c3c2cc(Cl)cc3)ccc1O" . "AEGVBHAVNJPGMI-WGARJPEWSA-O" . "InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/p+1/b26-14-" . "CCCC1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C" . "CCCC1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C" . "ZUJOXCIHOKDDRE-UHFFFAOYSA-N" . "InChI=1S/C29H41N7O3/c1-5-8-23-28(38)35(3)24-18-30-29(33-26(24)36(23)21-9-6-7-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(2)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)" . "COc1ccc(cc1OC)C=Cc1ccccc1N1C(=O)c2c(C1=O)cccc2" . "COc1ccc(cc1OC)/C=C/c1ccccc1N1C(=O)c2c(C1=O)cccc2" . "MKFOSSOUEAENMG-ACCUITESSA-N" . "InChI=1S/C24H19NO4/c1-28-21-14-12-16(15-22(21)29-2)11-13-17-7-3-6-10-20(17)25-23(26)18-8-4-5-9-19(18)24(25)27/h3-15H,1-2H3/b13-11+" . "CN1CCC(CC1)NC(=O)c1ccc(c(c1)OC1CCCC1)Nc1ncc2c(n1)N(C1CCCC1)C(C(=O)N2C)C" . "CN1CCC(CC1)NC(=O)c1ccc(c(c1)OC1CCCC1)Nc1ncc2c(n1)N(C1CCCC1)C(C(=O)N2C)C" . "HTPNGOWITIWAHM-UHFFFAOYSA-N" . "InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)" . "COc1ccc(cc1)S(=O)(=O)N(c1ncc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O" . "COc1ccc(cc1)S(=O)(=O)N(c1ncc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O" . "SDNGUWKKARNBMG-UHFFFAOYSA-N" . "InChI=1S/C27H25N3O10S2/c1-39-18-7-11-20(12-8-18)41(35,36)29(16-25(31)32)24-15-28-27(23-6-4-3-5-22(23)24)30(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,31,32)(H,33,34)" . "Brc1ccc(cc1)c1c(OCCOc2ncc(cn2)Br)ncnc1NS(=O)(=O)N" . "Brc1ccc(cc1)c1c(OCCOc2ncc(cn2)Br)ncnc1NS(=O)(=O)N" . "DKULOVKANLVDEA-UHFFFAOYSA-N" . "InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)" . "N#Cc1c(=O)[nH]c2c(c1O)c(cs2)c1ccc(cc1)c1ccccc1O" . "N#Cc1c(=O)[nH]c2c(c1O)c(cs2)c1ccc(cc1)c1ccccc1O" . "CTESJDQKVOEUOY-UHFFFAOYSA-N" . "InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)" . "CCCC(C(=O)OCC1(CO)OC(=O)C(=Cc2cn(c3c2cccc3)C)C1)CCC" . "CCCC(C(=O)OCC1(CO)OC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1)CCC" . "SIWILCBNYOGJQH-LDADJPATSA-N" . "InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+" . "O=S(=O)(NC1CN(C1)c1ccc2c(c1)C(Cc1ccccc1)C(CO2)N1CCC1)CC1CC1" . "O=S(=O)(NC1CN(C1)c1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](CO2)N1CCC1)CC1CC1" . "GOGNWHCPOVLYOW-NOZRDPDXSA-N" . "InChI=1S/C26H33N3O3S/c30-33(31,18-20-7-8-20)27-21-15-29(16-21)22-9-10-26-24(14-22)23(13-19-5-2-1-3-6-19)25(17-32-26)28-11-4-12-28/h1-3,5-6,9-10,14,20-21,23,25,27H,4,7-8,11-13,15-18H2/t23-,25+/m1/s1" . "Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccccc1)C(CC2)N1CCC1" . "Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](CC2)N1CCC1" . "BIPXSEJLJGIGOE-RPBOFIJWSA-N" . "InChI=1S/C26H32N4O3S/c1-29-18-26(27-19-29)34(31,32)28-12-15-33-22-10-8-21-9-11-25(30-13-5-14-30)24(23(21)17-22)16-20-6-3-2-4-7-20/h2-4,6-8,10,17-19,24-25,28H,5,9,11-16H2,1H3/t24-,25+/m1/s1" . "N#Cc1ccc(nc1)NC1CCC(CC1)N(c1ccc(cc1)c1ccc(=O)n(c1)C)C(=O)NCc1ccccc1" . "N#Cc1ccc(nc1)N[C@@H]1CC[C@H](CC1)N(c1ccc(cc1)c1ccc(=O)n(c1)C)C(=O)NCc1ccccc1" . "HDJBGURZVALLMD-KWQFAZJVSA-N" . "InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-" . "NC1CCCc2c1c(O)no2" . "NC1CCCc2c1c(O)no2" . "OAJLTKZYCPGQMS-UHFFFAOYSA-N" . "InChI=1S/C7H10N2O2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h4H,1-3,8H2,(H,9,10)" . "O=C(N1CCN(CC1)Cc1ccc(cc1N1CCCC1)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F" . "O=C(N1CCN(CC1)Cc1ccc(cc1N1CCCC1)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F" . "SQZJGTOZFRNWCX-UHFFFAOYSA-N" . "InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2" . "COc1cccc(c1n1c(nnc1c1cncc(c1)C)NS(=O)(=O)C(C(c1ncc(cn1)C)C)C)OC" . "COc1cccc(c1n1c(nnc1c1cncc(c1)C)NS(=O)(=O)[C@H]([C@@H](c1ncc(cn1)C)C)C)OC" . "DOMQFIFVDIAOOT-ROUUACIJSA-N" . "InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C)CO)CC(=O)O" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)CC(=O)O" . "HJDRXEQUFWLOGJ-AJNGGQMLSA-N" . "InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1" . "O=c1[nH]c(=O)c(c([nH]1)C1CCC(CC1)c1ccccc1)Cc1cccc(c1)C(F)(F)F" . "O=c1[nH]c(=O)c(c([nH]1)[C@@H]1CC[C@H](CC1)c1ccccc1)Cc1cccc(c1)C(F)(F)F" . "GVVUZBSCYAVFTI-IYARVYRRSA-N" . "InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18-" . "OCC(C(C)(C)C)NC(=O)c1nn(c2c1CC1C2C1)c1ncc[n+](c1)[O-]" . "OC[C@H](C(C)(C)C)NC(=O)c1nn(c2c1C[C@H]1[C@@H]2C1)c1ncc[n+](c1)[O-]" . "ACSQLTBPYZSGBA-GMXVVIOVSA-N" . "InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1" . "S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1Cc1cccc(c1)C(F)(F)F" . "S=C1S/C(=C/c2ccc(cc2)C(=O)O)/C(=O)N1Cc1cccc(c1)C(F)(F)F" . "DJTINRHPPGAPLD-DHDCSXOGSA-N" . "InChI=1S/C19H12F3NO3S2/c20-19(21,22)14-3-1-2-12(8-14)10-23-16(24)15(28-18(23)27)9-11-4-6-13(7-5-11)17(25)26/h1-9H,10H2,(H,25,26)/b15-9-" . "ONC(=O)CCCCC=C(C(=O)NCCCN(C)C)COc1cccc2c1cccc2" . "ONC(=O)CCCC/C=C(/C(=O)NCCCN(C)C)/COc1cccc2c1cccc2" . "AUGCSOFQTDKPSO-RGVLZGJSSA-N" . "InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+" . "Fc1ccc(c(c1)COc1cccc2c1c(no2)Nc1cccnc1)Cl" . "Fc1ccc(c(c1)COc1cccc2c1c(no2)Nc1cccnc1)Cl" . "VZWFUUUUCXTDJT-UHFFFAOYSA-N" . "InChI=1S/C19H13ClFN3O2/c20-15-7-6-13(21)9-12(15)11-25-16-4-1-5-17-18(16)19(24-26-17)23-14-3-2-8-22-10-14/h1-10H,11H2,(H,23,24)" . "COc1ccc(cc1c1cc(=O)[nH]c(=S)n1CC(=O)N)Cl" . "COc1ccc(cc1c1cc(=O)[nH]c(=S)n1CC(=O)N)Cl" . "ICYNYWFGIDGBRD-UHFFFAOYSA-N" . "InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)" . "CC(OCCn1c(=S)[nH]c(=O)c2c1cc[nH]2)C" . "CC(OCCn1c(=S)[nH]c(=O)c2c1cc[nH]2)C" . "FVJCUZCRPIMVLB-UHFFFAOYSA-N" . "InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)" . "O=C(Nc1ccc(cc1)Br)NCc1ccc(nc1)N" . "O=C(Nc1ccc(cc1)Br)NCc1ccc(nc1)N" . "NNDXEGUWCFIHTD-UHFFFAOYSA-N" . "InChI=1S/C13H13BrN4O/c14-10-2-4-11(5-3-10)18-13(19)17-8-9-1-6-12(15)16-7-9/h1-7H,8H2,(H2,15,16)(H2,17,18,19)" . "O=CCCSc1n(C)cc[n+]1C" . "O=CCCSc1n(C)cc[n+]1C" . "NAQRMIYTJDQSRI-UHFFFAOYSA-N" . "InChI=1S/C8H13N2OS/c1-9-4-5-10(2)8(9)12-7-3-6-11/h4-6H,3,7H2,1-2H3/q+1" . "O=C(C1CCCN1C(=O)OCc1cnc2c(c1)cccc2)NCC1ON=C(C1)Br" . "O=C([C@@H]1CCCN1C(=O)OCc1cnc2c(c1)cccc2)NC[C@H]1ON=C(C1)Br" . "FDWIPZHANLQVMF-RDJZCZTQSA-N" . "InChI=1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15-,17-/m0/s1" . "OCc1c[nH]c2c1cccc2" . "OCc1c[nH]c2c1cccc2" . "IVYPNXXAYMYVSP-UHFFFAOYSA-N" . "InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2" . "c1ccc2c(c1)c1cc3=Nc4c(c3cc1=N2)cccc4" . "c1ccc2c(c1)c1cc3=Nc4c(c3cc1=N2)cccc4" . "HLVSZSQYBQCBQG-UHFFFAOYSA-N" . "InChI=1S/C18H10N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10H" . "FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(CC(O2)CC(C(=O)O)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F)F" . "FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(C[C@@H](O2)CC(C(=O)O)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F)F" . "GULSIMHVQYBADX-FQEVSTJZSA-N" . "InChI=1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2" . "UOFYSRZSLXWIQB-UHFFFAOYSA-N" . "InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)" . "CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)C(=O)OC)c1ccccc1" . "CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)C(=O)OC)c1ccccc1" . "YDSDEBIZUNNPOB-UHFFFAOYSA-N" . "InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3" . "O=C(Nc1cc(Cl)ccc1C(=O)O)COc1cccc2c1cccc2" . "O=C(Nc1cc(Cl)ccc1C(=O)O)COc1cccc2c1cccc2" . "OKFVCWAYHJMQFA-UHFFFAOYSA-N" . "InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)" . "O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccccc1Cl" . "O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccccc1Cl" . "CVQCJPCMPGKEDH-UHFFFAOYSA-N" . "InChI=1S/C15H11Cl2NO4/c16-9-5-6-10(15(20)21)12(7-9)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)" . "NC(=O)C(=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cncnc1" . "NC(=O)/C(=C/n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/c1cncnc1" . "JFBAVWVBLRIWHM-AWNIVKPZSA-N" . "InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+" . "O=C(C=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1cnccn1" . "O=C(/C=C/n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1cnccn1" . "DEVSOMFAQLZNKR-RJRFIUFISA-N" . "InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-" . "O=C(Nc1ccc(c(c1F)F)F)CN(C(=O)c1ccc2c(c1)OCCO2)C" . "O=C(Nc1ccc(c(c1F)F)F)CN(C(=O)c1ccc2c(c1)OCCO2)C" . "XITZPIXICJOKTF-UHFFFAOYSA-N" . "InChI=1S/C18H15F3N2O4/c1-23(9-15(24)22-12-4-3-11(19)16(20)17(12)21)18(25)10-2-5-13-14(8-10)27-7-6-26-13/h2-5,8H,6-7,9H2,1H3,(H,22,24)" . "COC1(CCC(CC1)c1nc(C)cc(n1)Nc1n[nH]c(c1)C)C(=O)NC(c1ccc(nc1)n1ncc(c1)F)C" . "CO[C@@]1(CC[C@@H](CC1)c1nc(C)cc(n1)Nc1n[nH]c(c1)C)C(=O)N[C@H](c1ccc(nc1)n1ncc(c1)F)C" . "GBLBJPZSROAGMF-RWYJCYHVSA-N" . "InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27+/m0/s1" . "CCCCCCOC(c1cccc(c1OC)c1csc(n1)NC(=O)c1cc(Cl)c(c(c1)Cl)C=C(C(=O)O)C)C" . "CCCCCCO[C@H](c1cccc(c1OC)c1csc(n1)NC(=O)c1cc(Cl)c(c(c1)Cl)/C=C(/C(=O)O)/C)C" . "NOZIJMHMKORZBA-KJCUYJGMSA-N" . "InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1" . "COCc1ccc(cc1)c1ccc(cc1)N(C(=O)C1CC1c1ccccn1)CC(C(OC)C)N" . "COCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](OC)C)N" . "XCHHIKJEGXHKLQ-UJTWYAIMSA-N" . "InChI=1S/C28H33N3O3/c1-19(34-3)26(29)17-31(28(32)25-16-24(25)27-6-4-5-15-30-27)23-13-11-22(12-14-23)21-9-7-20(8-10-21)18-33-2/h4-15,19,24-26H,16-18,29H2,1-3H3/t19-,24-,25-,26-/m1/s1" . "CCCCCNC1=C(CCCCC)C(=O)C(=O)C(=C1O)C1C=C(C)CCC1C(=C)C" . "CCCCCNC1=C(CCCCC)C(=O)C(=O)C(=C1O)[C@@H]1C=C(C)CC[C@H]1C(=C)C" . "CIEWIZBPWBLHSB-PZJWPPBQSA-N" . "InChI=1S/C26H39NO3/c1-6-8-10-12-20-23(27-15-11-9-7-2)25(29)22(26(30)24(20)28)21-16-18(5)13-14-19(21)17(3)4/h16,19,21,27,29H,3,6-15H2,1-2,4-5H3/t19-,21+/m0/s1" . "N#CCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCS(=O)(=O)CC1" . "N#CCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCS(=O)(=O)CC1" . "XBHQLFVDGLPBCK-UHFFFAOYSA-N" . "InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34)" . "O=C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)ON1C(=O)CCC1=O" . "O=C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)ON1C(=O)CCC1=O" . "BEADRWVIFHOSGN-UHFFFAOYSA-N" . "InChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2" . "Clc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N" . "Clc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N" . "QMNFFXRFOJIOKZ-UHFFFAOYSA-N" . "InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)" . "Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl" . "Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl" . "UCRHFBCYFMIWHC-UHFFFAOYSA-N" . "InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2" . "CC1CN(CCN1C)c1cnc(nc1Nc1cc(n(n1)C)C)Nc1nc(C)c(c(c1)C1CC1)F" . "C[C@@H]1CN(CCN1C)c1cnc(nc1Nc1cc(n(n1)C)C)Nc1nc(C)c(c(c1)C1CC1)F" . "HKPQFVAUXAZCDY-OAHLLOKOSA-N" . "InChI=1S/C24H32FN9/c1-14-10-21(31-33(14)5)28-23-19(34-9-8-32(4)15(2)13-34)12-26-24(30-23)29-20-11-18(17-6-7-17)22(25)16(3)27-20/h10-12,15,17H,6-9,13H2,1-5H3,(H2,26,27,28,29,30,31)/t15-/m1/s1" . "Clc1cc(nc(n1)N)N(C1CC1)Cc1cccs1" . "Clc1cc(nc(n1)N)N(C1CC1)Cc1cccs1" . "PDWZXKSZLRVSEH-UHFFFAOYSA-N" . "InChI=1S/C12H13ClN4S/c13-10-6-11(16-12(14)15-10)17(8-3-4-8)7-9-2-1-5-18-9/h1-2,5-6,8H,3-4,7H2,(H2,14,15,16)" . "N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)[C@@H](N(C(=O)/C=C/c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)Cc1ccccc1" . "N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)[C@@H](N(C(=O)/C=C/c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)Cc1ccccc1" . "BQZUYCCCNXOADJ-TVNMEPFQSA-N" . "InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1" . "COc1cc2[nH]c(C)c(c(=O)c2cc1Cl)c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F" . "COc1cc2[nH]c(C)c(c(=O)c2cc1Cl)c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F" . "WZDNKHCQIZRDKW-UHFFFAOYSA-N" . "InChI=1S/C24H17ClF3NO4/c1-13-22(23(30)18-11-19(25)21(31-2)12-20(18)29-13)14-3-5-15(6-4-14)32-16-7-9-17(10-8-16)33-24(26,27)28/h3-12H,1-2H3,(H,29,30)" . "Cc1cc(Nc2ccc(nc2)C(F)(F)F)n2c(n1)nc(n2)C(F)(F)C" . "Cc1cc(Nc2ccc(nc2)C(F)(F)F)n2c(n1)nc(n2)C(F)(F)C" . "HDLFZCDEGAWEFX-UHFFFAOYSA-N" . "InChI=1S/C14H11F5N6/c1-7-5-10(22-8-3-4-9(20-6-8)14(17,18)19)25-12(21-7)23-11(24-25)13(2,15)16/h3-6,22H,1-2H3" . "CCCCN(CCC(c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC" . "CCCCN(CCC(c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC" . "FOHHNHSLJDZUGQ-UHFFFAOYSA-N" . "InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3" . "CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC" . "CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC" . "OVCDSSHSILBFBN-UHFFFAOYSA-N" . "InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)" . "NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1" . "NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1" . "GTWOKQIGBJADIZ-UHFFFAOYSA-N" . "InChI=1S/C16H12N6O2S/c17-25(23,24)12-5-10(6-18-9-12)14-1-2-15-16(22-14)13(3-4-19-15)11-7-20-21-8-11/h1-9H,(H,20,21)(H2,17,23,24)" . "FC(c1nccc(c1)c1ccnc2c1nc(cc2)c1cccc(c1)S(=O)(=O)N)(F)F" . "FC(c1nccc(c1)c1ccnc2c1nc(cc2)c1cccc(c1)S(=O)(=O)N)(F)F" . "UNHBOZVTSNPRRO-UHFFFAOYSA-N" . "InChI=1S/C20H13F3N4O2S/c21-20(22,23)18-11-12(6-8-26-18)15-7-9-25-17-5-4-16(27-19(15)17)13-2-1-3-14(10-13)30(24,28)29/h1-11H,(H2,24,28,29)" . "CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCC(=O)OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F)C)C" . "CC(CCC[C@@H]([C@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)OC(=O)CCC(=O)OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F)C)C" . "QUBHCPBWMPEXQW-NPAZBBTKSA-N" . "InChI=1S/C48H63BrClFN4O6/c1-28(2)8-7-9-29(3)35-13-14-36-33-12-10-30-24-32(18-20-47(30,4)37(33)19-21-48(35,36)5)61-42(57)17-16-41(56)59-22-23-60-54-46(58)34-26-40-45(52-27-55(40)6)43(51)44(34)53-39-15-11-31(49)25-38(39)50/h10-11,15,25-29,32-33,35-37,53H,7-9,12-14,16-24H2,1-6H3,(H,54,58)/t29-,32?,33-,35+,36+,37+,47-,48+/m0/s1" . "CCCCCCC(c1cc(O)c(c(c1)O)C1C=C(C)CCC1C(=C)C)(C)C" . "CCCCCCC(c1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C)(C)C" . "MPJURNPNPDQYSY-LEWJYISDSA-N" . "InChI=1S/C25H38O2/c1-7-8-9-10-13-25(5,6)19-15-22(26)24(23(27)16-19)21-14-18(4)11-12-20(21)17(2)3/h14-16,20-21,26-27H,2,7-13H2,1,3-6H3/t20-,21+/m0/s1" . "OC(=O)CCC1NC(=O)C(CSSCC2NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CSSCC(NC(=O)CNC(=O)C(NC2=O)C(O)C)C(=O)NC(C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)N)CC(=O)O)CCC(=O)O" . "OC(=O)CC[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@H](O)C)C(=O)N[C@@H](C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)N)N)CC(=O)O)CCC(=O)O" . "NSPHQWLKCGGCQR-HLHYUOOASA-N" . "InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,48-,49-,50-/m0/s1" . "COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F" . "COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F" . "QZFHIXARHDBPBY-UHFFFAOYSA-N" . "InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)" . "Clc1cc(ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2)NC(=O)c1ncccc1Cl" . "Clc1cc(ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2)NC(=O)c1ncccc1Cl" . "HJQXPBKPTGWZCF-UHFFFAOYSA-N" . "InChI=1S/C20H10Cl3N3O3/c21-12-4-1-3-11-16(12)20(29)26(19(11)28)15-7-6-10(9-14(15)23)25-18(27)17-13(22)5-2-8-24-17/h1-9H,(H,25,27)" . "COc1ccc2c(c1)[nH]c1c2CC2N(C1C=C(C)C)C(=O)C1N(C2=O)CCC1" . "COc1ccc2c(c1)[nH]c1c2C[C@@H]2N([C@H]1C=C(C)C)C(=O)[C@H]1N(C2=O)CCC1" . "DBEYVIGIPJSTOR-FHWLQOOXSA-N" . "InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1" . "COc1ccc2c(c1)[nH]c1c2CC2N(C1CC(C)C)C(=O)C(NC2=O)CCC(=O)OC(C)(C)C" . "COc1ccc2c(c1)[nH]c1c2C[C@@H]2N([C@H]1CC(C)C)C(=O)[C@@H](NC2=O)CCC(=O)OC(C)(C)C" . "NXNRAECHCJZNRF-JBACZVJFSA-N" . "InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1" . "OCCc1ccc(cc1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+](=O)[O-]" . "OCCc1ccc(cc1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+](=O)[O-]" . "LTWQQWSXYYXVGA-UHFFFAOYSA-N" . "InChI=1S/C22H19N3O5/c26-14-13-15-5-9-17(10-6-15)23-22(28)19-3-1-2-4-20(19)24-21(27)16-7-11-18(12-8-16)25(29)30/h1-12,26H,13-14H2,(H,23,28)(H,24,27)" . "OCC(=O)C12CN(CC1CC1C2(C)CC(O)C2(C1CC(C1=CC(=O)C=CC21C)F)F)Cc1cccc(c1)Cl" . "OCC(=O)[C@@]12CN(C[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)Cc1cccc(c1)Cl" . "AOSZTAHDEDLTLQ-AZKQZHLXSA-N" . "InChI=1S/C30H34ClF2NO4/c1-27-7-6-20(36)10-23(27)24(32)11-22-21-9-18-14-34(13-17-4-3-5-19(31)8-17)16-29(18,26(38)15-35)28(21,2)12-25(37)30(22,27)33/h3-8,10,18,21-22,24-25,35,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1" . "O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCOCC1)NCc1cccc(c1)F" . "O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCOCC1)NCc1cccc(c1)F" . "CMKKPJNMYLOUCE-UHFFFAOYSA-N" . "InChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)" . "O=S(=O)(C1CC1)Nc1nnc2n1cc(C1CC1)c(c2)OCC12CC3CC(C2)CC(C1)C3" . "O=S(=O)(C1CC1)Nc1nnc2n1cc(C1CC1)c(c2)OCC12CC3CC(C2)CC(C1)C3" . "FPERPEQIXLOVIK-UHFFFAOYSA-N" . "InChI=1S/C23H30N4O3S/c28-31(29,18-3-4-18)26-22-25-24-21-8-20(19(12-27(21)22)17-1-2-17)30-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h8,12,14-18H,1-7,9-11,13H2,(H,25,26)" . "COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)Nc1ccccc1)C)C(=O)NS(=O)(=O)c1ccccc1" . "COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)Nc1ccccc1)C)C(=O)NS(=O)(=O)c1ccccc1" . "CJILPLPDEJBFHA-UHFFFAOYSA-N" . "InChI=1S/C31H28N4O5S/c1-35-20-23(27-19-25(15-16-28(27)35)33-31(37)32-24-9-5-3-6-10-24)17-21-13-14-22(18-29(21)40-2)30(36)34-41(38,39)26-11-7-4-8-12-26/h3-16,18-20H,17H2,1-2H3,(H,34,36)(H2,32,33,37)" . "N#Cc1ccc(cc1N1CCN(C(C1=O)(C)C)C(=O)C)c1cc(c2n1ncnc2N)C(F)(F)F" . "N#Cc1ccc(cc1N1CCN(C(C1=O)(C)C)C(=O)C)c1cc(c2n1ncnc2N)C(F)(F)F" . "ZDXIDBRGTYDHBQ-UHFFFAOYSA-N" . "InChI=1S/C22H20F3N7O2/c1-12(33)31-7-6-30(20(34)21(31,2)3)16-8-13(4-5-14(16)10-26)17-9-15(22(23,24)25)18-19(27)28-11-29-32(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,27,28,29)" . "N#CCC1CCN(CC1)c1nc(Nc2ccc(cc2)N2CCC(CC2)O)c2c(n1)cn[nH]c2=O" . "N#CCC1CCN(CC1)c1nc(Nc2ccc(cc2)N2CCC(CC2)O)c2c(n1)cn[nH]c2=O" . "NLFLXLJXEIUQDL-UHFFFAOYSA-N" . "InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)" . "OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N" . "OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N" . "ODSCFSVBFVSJFO-UHFFFAOYSA-N" . "InChI=1S/C23H15F3N4O3/c24-23(25,26)18-7-5-14(6-8-18)20-12-30(29-28-20)19-10-16(9-17(11-19)22(32)33)13-1-3-15(4-2-13)21(27)31/h1-12H,(H2,27,31)(H,32,33)" . "NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O" . "NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O" . "VYXSDIPOJBFWHQ-UHFFFAOYSA-N" . "InChI=1S/C24H20F3N5O3S/c25-24(26,27)17-4-2-14(3-5-17)19-13-32(31-30-19)18-11-15(10-16(12-18)23(34)35)20-6-7-21(36-20)22(33)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,33)(H,34,35)" . "CC(=O)Nc1sc(c(n1)C)c1cc2CN(C(=O)c2c(c1)S(=O)(=O)C)C(C1CC1)C" . "CC(=O)Nc1sc(c(n1)C)c1cc2CN(C(=O)c2c(c1)S(=O)(=O)C)[C@H](C1CC1)C" . "PAQUFWFUOVDUIO-NSHDSACASA-N" . "InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1" . "CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)SC)OCC(=O)NC(c1ccccc1)C(=O)NCC(=O)O" . "CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)SC)OCC(=O)N[C@H](c1ccccc1)C(=O)NCC(=O)O" . "XFLQIRAKKLNXRQ-UUWRZZSWSA-N" . "InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1" . "CNC(=O)OC1CC(=C)C(C2(C1C(C)(C)CCC2)C)CCC(C=C)(O)C" . "CNC(=O)O[C@H]1CC(=C)[C@@H]([C@@]2([C@@H]1C(C)(C)CCC2)C)CC[C@@](C=C)(O)C" . "VDWLBNKHHJKPOQ-LDAQOBCYSA-N" . "InChI=1S/C22H37NO3/c1-8-21(5,25)13-10-16-15(2)14-17(26-19(24)23-7)18-20(3,4)11-9-12-22(16,18)6/h8,16-18,25H,1-2,9-14H2,3-7H3,(H,23,24)/t16-,17-,18-,21+,22+/m0/s1" . "O=C(c1n[nH]c2c1CC1C(C2)(C1(F)F)C)Nc1cnn(c1)C(C1CCCCS1(=O)=O)c1ccccc1" . "O=C(c1n[nH]c2c1C[C@H]1[C@@](C2)(C1(F)F)C)Nc1cnn(c1)[C@H]([C@@H]1CCCCS1(=O)=O)c1ccccc1" . "JNRFIKALOWSUBG-CGCKEFBRSA-N" . "InChI=1S/C25H27F2N5O3S/c1-24-12-18-17(11-20(24)25(24,26)27)21(31-30-18)23(33)29-16-13-28-32(14-16)22(15-7-3-2-4-8-15)19-9-5-6-10-36(19,34)35/h2-4,7-8,13-14,19-20,22H,5-6,9-12H2,1H3,(H,29,33)(H,30,31)/t19-,20-,22-,24+/m0/s1" . "COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C)Sc1cnc(s1)NC(=O)c1ccc(cc1)CNC(C(C)(C)C)C" . "COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C)Sc1cnc(s1)NC(=O)c1ccc(cc1)CNC(C(C)(C)C)C" . "ZHXNIYGJAOPMSO-UHFFFAOYSA-N" . "InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)" . "N#CC(=CC(N1CCN(CC1)C1COC1)(C)C)C(=O)N1CCCC(C1)n1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "N#C/C(=C/C(N1CCN(CC1)C1COC1)(C)C)/C(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "LCFFREMLXLZNHE-GBOLQPHISA-N" . "InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1" . "COc1c(cc(cc1F)F)Nc1cc(NC)c2n(n1)c(cn2)C(=O)NCCC(CO)(O)C" . "COc1c(cc(cc1F)F)Nc1cc(NC)c2n(n1)c(cn2)C(=O)NCCC(CO)(O)C" . "BDYFCJQKSYBTAK-UHFFFAOYSA-N" . "InChI=1S/C20H24F2N6O4/c1-20(31,10-29)4-5-24-19(30)15-9-25-18-14(23-2)8-16(27-28(15)18)26-13-7-11(21)6-12(22)17(13)32-3/h6-9,23,29,31H,4-5,10H2,1-3H3,(H,24,30)(H,26,27)" . "COC(=O)CC(=C)C(=O)OC" . "COC(=O)CC(=C)C(=O)OC" . "ZWWQRMFIZFPUAA-UHFFFAOYSA-N" . "InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3" . "CCCS(=O)(=O)NC1CC(C1)N(c1ncnc2c1cc[nH]2)C" . "CCCS(=O)(=O)N[C@@H]1C[C@@H](C1)N(c1ncnc2c1cc[nH]2)C" . "IUEWXNHSKRWHDY-PHIMTYICSA-N" . "InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+" . "Nc1ncc(cc1C(F)(F)F)c1nn(c(c1)C1C2C1CN(C2)C1COC1)CC1CC1" . "Nc1ncc(cc1C(F)(F)F)c1nn(c(c1)[C@@H]1[C@@H]2[C@H]1CN(C2)C1COC1)CC1CC1" . "IRPVABHDSJVBNZ-QWHZDKJVSA-N" . "InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(5-26-20(16)25)17-4-18(29(27-17)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19+" . "N#Cc1ccnc(c1)Nc1cc(n(n1)C1CCCC1)C1CCN(CC1)C1COC1" . "N#Cc1ccnc(c1)Nc1cc(n(n1)C1CCCC1)C1CCN(CC1)C1COC1" . "GMTAOJMPNXLKJI-UHFFFAOYSA-N" . "InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)" . "Cn1nc2c(c1)c1c3C(=O)NCc3c3c(c1CC2)n(C(C)C)c1c3cc(cc1)Oc1ncccn1" . "Cn1nc2c(c1)c1c3C(=O)NCc3c3c(c1CC2)n(C(C)C)c1c3cc(cc1)Oc1ncccn1" . "GCRBQBQLMPBGQC-UHFFFAOYSA-N" . "InChI=1S/C27H24N6O2/c1-14(2)33-21-8-5-15(35-27-28-9-4-10-29-27)11-17(21)23-18-12-30-26(34)24(18)22-16(25(23)33)6-7-20-19(22)13-32(3)31-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3,(H,30,34)" . "O=C(CCCOc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O)NCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O" . "O=C(CCCOc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O)NCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O" . "BMCSDEYJDALUKV-UHFFFAOYSA-N" . "InChI=1S/C47H40FN7O8S/c48-36-23-28(10-18-40(36)58)55-26-39(53-54-55)38-17-13-31-37(52-38)6-4-7-41(31)61-21-5-8-44(59)49-19-2-1-3-20-50-46(64)51-27-9-14-33-32(22-27)45(60)63-47(33)34-15-11-29(56)24-42(34)62-43-25-30(57)12-16-35(43)47/h4,6-7,9-18,22-26,56-58H,1-3,5,8,19-21H2,(H,49,59)(H2,50,51,64)" . "OC(=O)c1cccc(c1)Oc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O" . "OC(=O)c1cccc(c1)Oc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O" . "RXHQCISHMPQZDT-UHFFFAOYSA-N" . "InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)" . "Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)O)O" . "Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)O)O" . "DDKGKOOLFLYZDL-UHFFFAOYSA-N" . "InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H" . "COC(=O)CC1ONC(=C2C=CC(=O)C=C2)C1" . "COC(=O)CC1ONC(=C2C=CC(=O)C=C2)C1" . "CLVQGFPQFNASJH-UHFFFAOYSA-N" . "InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,13H,6-7H2,1H3" . "Fc1ccc(cc1)C(c1ccc(cc1)F)OCCN1CCN(CC1)CCCc1ccccc1" . "Fc1ccc(cc1)C(c1ccc(cc1)F)OCCN1CCN(CC1)CCCc1ccccc1" . "NAUWTFJOPJWYOT-UHFFFAOYSA-N" . "InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2" . "NCC(=O)N1CCn2c(C1(C)C)nc(c2Nc1ccc(cc1)F)c1ccc(cc1)F" . "NCC(=O)N1CCn2c(C1(C)C)nc(c2Nc1ccc(cc1)F)c1ccc(cc1)F" . "BUPRVECGWBHCQV-UHFFFAOYSA-N" . "InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3" . "NC1=NC2(CO1)c1cc(ccc1Oc1c2cc(nc1F)C1=CCCOC1)c1ncccc1F" . "NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c2cc(nc1F)C1=CCCOC1)c1ncccc1F" . "HGRWHBQLRXWSLV-DEOSSOPVSA-N" . "InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1" . "O=C(Nc1nccs1)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C" . "O=C(Nc1nccs1)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C" . "NZXOWNNCAZTBDJ-UHFFFAOYSA-N" . "InChI=1S/C18H18N4O3S2/c1-22(13-14-5-3-2-4-6-14)27(24,25)16-9-7-15(8-10-16)20-17(23)21-18-19-11-12-26-18/h2-12H,13H2,1H3,(H2,19,20,21,23)" . "COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CC2CC1CN2c1ncnc(c1)C(F)(F)F" . "CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F" . "MCRWZBYTLVCCJJ-DKALBXGISA-N" . "InChI=1S/C25H36F3N5O3/c1-15(2)24(6-4-16(10-24)31-19-5-7-36-13-20(19)35-3)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22/h9,14-20,31H,4-8,10-13H2,1-3H3/t16-,17+,18+,19+,20-,24+/m1/s1" . "Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1" . "Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1" . "VLULRUCCHYVXOH-UHFFFAOYSA-N" . "InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3" . "CC(c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1ncnc(c1Cl)N" . "C[C@H](c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1ncnc(c1Cl)N" . "VWMJHAFYPMOMGF-ZCFIWIBFSA-N" . "InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1" . "O=C1Nc2cc3[nH]nc(c3cc2CN1Cc1ccccc1)c1ccncc1" . "O=C1Nc2cc3[nH]nc(c3cc2CN1Cc1ccccc1)c1ccncc1" . "ODIUJYZERXVGEI-UHFFFAOYSA-N" . "InChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)" . "O=C1c2cc(sc2C(N1CCN1CCOCC1)(C)C)c1ccnc(n1)Nc1ccnn1C" . "O=C1c2cc(sc2C(N1CCN1CCOCC1)(C)C)c1ccnc(n1)Nc1ccnn1C" . "JNPRPMBJODOFEC-UHFFFAOYSA-N" . "InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)" . "CSC1(CCN(C1)CC(=O)N1CCC(=CC1)c1ccc(cc1)c1ncn(n1)C)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccc(nc1)OC(C)C" . "CS[C@]1(CCN(C1)CC(=O)N1CCC(=CC1)c1ccc(cc1)c1ncn(n1)C)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccc(nc1)OC(C)C" . "KPQQGHGDBBJGFA-QNGWXLTQSA-N" . "InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1" . "OCC(c1cccc(c1)C)NC(=O)C(N1Cc2c(C1=O)cc(cc2)c1nc(ncc1Cl)NC1CCOCC1)C" . "OC[C@H](c1cccc(c1)C)NC(=O)[C@H](N1Cc2c(C1=O)cc(cc2)c1nc(ncc1Cl)NC1CCOCC1)C" . "XHOJEECXVUMYMF-IQGLISFBSA-N" . "InChI=1S/C29H32ClN5O4/c1-17-4-3-5-19(12-17)25(16-36)33-27(37)18(2)35-15-21-7-6-20(13-23(21)28(35)38)26-24(30)14-31-29(34-26)32-22-8-10-39-11-9-22/h3-7,12-14,18,22,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t18-,25-/m1/s1" . "CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br" . "CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br" . "ICGICUHMULRYIQ-UHFFFAOYSA-N" . "InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3" . "CN(CC1=C(CNc2ccnc3c2ccc(c3)Cl)C=C(C1)[Fe]C1=CC=CC1)C" . "CN(CC1=C(CNc2ccnc3c2ccc(c3)Cl)C=C(C1)[Fe]C1=CC=CC1)C" . "IRJOHJGUSPNBRI-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN3.C5H5.Fe/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;1-2-4-5-3-1;/h4,6-10H,5,11-12H2,1-2H3,(H,20,21);1-3H,4H2;" . "O1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3" . "O1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3" . "XLCNVWUKICLURR-UHFFFAOYSA-N" . "InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2" . "Fc1ccc(c(c1)F)n1nnc(c1)CN1C(=O)Nc2c(C1c1ccccc1)cc(cc2)c1c(C)noc1C" . "Fc1ccc(c(c1)F)n1nnc(c1)CN1C(=O)Nc2c(C1c1ccccc1)cc(cc2)c1c(C)noc1C" . "GTJYIEXTEWAMFX-UHFFFAOYSA-N" . "InChI=1S/C28H22F2N6O2/c1-16-26(17(2)38-33-16)19-8-10-24-22(12-19)27(18-6-4-3-5-7-18)35(28(37)31-24)14-21-15-36(34-32-21)25-11-9-20(29)13-23(25)30/h3-13,15,27H,14H2,1-2H3,(H,31,37)" . "CCCCN(CC(c1cc(Cl)cc2c1c1ccc(cc1C2=Cc1ccc(cc1)Cl)Cl)O)CCCC" . "CCCCN(CC(c1cc(Cl)cc2c1c1ccc(cc1/C/2=C/c1ccc(cc1)Cl)Cl)O)CCCC" . "DYLGFOYVTXJFJP-MYYYXRDXSA-N" . "InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-" . "Brc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1" . "Brc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1" . "XGNIAOMGYRRHNY-UHFFFAOYSA-N" . "InChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)" . "Cc1cc(C)c2c(c1)c(cc(n2)c1ccccn1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C" . "Cc1cc(C)c2c(c1)c(cc(n2)c1ccccn1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C" . "HTSLEZOTMYUPLU-UHFFFAOYSA-N" . "InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)" . "CCOC(=O)N1CCC(CC1)NC1=C(C(=O)C1=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F" . "CCOC(=O)N1CCC(CC1)NC1=C(C(=O)C1=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F" . "ZKITWOVRRSBKFG-UHFFFAOYSA-N" . "InChI=1S/C25H32F3N5O4/c1-2-37-24(36)33-9-6-18(7-10-33)30-21-20(22(34)23(21)35)29-8-11-31-12-14-32(15-13-31)19-5-3-4-17(16-19)25(26,27)28/h3-5,16,18,29-30H,2,6-15H2,1H3" . "Cc1nn(c(c1c1ccc(c(c1)Cl)Cl)N)C(=O)C" . "Cc1nn(c(c1c1ccc(c(c1)Cl)Cl)N)C(=O)C" . "HJXDCOSNNVYHCY-UHFFFAOYSA-N" . "InChI=1S/C12H11Cl2N3O/c1-6-11(12(15)17(16-6)7(2)18)8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3" . "COc1cc(nc(c1)c1cccc(c1)C#CC1(O)CCN(C1=O)C)C(=O)N" . "COc1cc(nc(c1)c1cccc(c1)C#C[C@]1(O)CCN(C1=O)C)C(=O)N" . "LQSHXYHWYGKAMX-FQEVSTJZSA-N" . "InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)C=CSC(=N1)N)F" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)C=CSC(=N1)N)F" . "VLLFGVHGKLDDLW-SFHVURJKSA-N" . "InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1" . "OCCOc1ccc(cc1c1ccc(c(c1)C(C)(C)C)N1CCCC1)c1ccc(cc1)C(=O)O" . "OCCOc1ccc(cc1c1ccc(c(c1)C(C)(C)C)N1CCCC1)c1ccc(cc1)C(=O)O" . "MFBCDACCJCDGBA-UHFFFAOYSA-N" . "InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)" . "CN(c1nc(nc2c1cccc2)N1CCCC1)C" . "CN(c1nc(nc2c1cccc2)N1CCCC1)C" . "VONNLDQOEHSECV-UHFFFAOYSA-N" . "InChI=1S/C14H18N4/c1-17(2)13-11-7-3-4-8-12(11)15-14(16-13)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3" . "N#Cc1c(ncnc1N)NC(c1cc2scc(n2c(=O)c1c1cccc(c1)CN1CCC(CC1)N(CC(C)C)C)C)C" . "N#Cc1c(ncnc1N)N[C@H](c1cc2scc(n2c(=O)c1c1cccc(c1)CN1CCC(CC1)N(CC(C)C)C)C)C" . "ZUQSHQGUCXJKSV-QFIPXVFZSA-N" . "InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/m0/s1" . "COc1nc(OC)ncc1c1cnc2c(c1)c(ccc2C(=O)O)C(=O)O" . "COc1nc(OC)ncc1c1cnc2c(c1)c(ccc2C(=O)O)C(=O)O" . "CAGSRYBLIZYFGG-UHFFFAOYSA-N" . "InChI=1S/C17H13N3O6/c1-25-14-12(7-19-17(20-14)26-2)8-5-11-9(15(21)22)3-4-10(16(23)24)13(11)18-6-8/h3-7H,1-2H3,(H,21,22)(H,23,24)" . "CCOC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "NLYNIRQVMRLPIQ-XQLAAWPRSA-N" . "InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1" . "OC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "BJDCWCLMFKKGEE-ISOSDAIHSA-N" . "InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1" . "OC(=O)CCC(=O)OC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "OC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "FIHJKUPKCHIPAT-AHIGJZGOSA-N" . "InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1" . "COC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "SXYIRMFQILZOAM-HVNFFKDJSA-N" . "InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1" . "O=C1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "BLUAFEHZUWYNDE-NNWCWBAJSA-N" . "InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1" . "OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1sc(c(n1)c1scc(c1)Cl)N1CCN(CC1)C1CCCCC1" . "OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1sc(c(n1)c1scc(c1)Cl)N1CCN(CC1)C1CCCCC1" . "OFZJKCQENFPZBH-UHFFFAOYSA-N" . "InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)" . "NCCCC(Nc1cc(OC)cc2c1nccc2)C" . "NCCCC(Nc1cc(OC)cc2c1nccc2)C" . "INDBQLZJXZLFIT-UHFFFAOYSA-N" . "InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3" . "[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]" . "[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]" . "SNIOPGDIGTZGOP-UHFFFAOYSA-N" . "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2" . "O=S(=O)(c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1)NC1CCNCC1" . "O=S(=O)(c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1)NC1CCNCC1" . "ITBGJNVZJBVPLJ-UHFFFAOYSA-N" . "InChI=1S/C18H19F3N2O4S2/c19-18(20,21)16-7-6-15(28(24,25)14-4-2-1-3-5-14)12-17(16)29(26,27)23-13-8-10-22-11-9-13/h1-7,12-13,22-23H,8-11H2" . "COc1nccc(c1)NC(=O)C(=O)c1c2cc(C)ccc2n(c1C)Cc1ccc(cc1)Cl" . "COc1nccc(c1)NC(=O)C(=O)c1c2cc(C)ccc2n(c1C)Cc1ccc(cc1)Cl" . "RIKZRSJVZWKHNX-UHFFFAOYSA-N" . "InChI=1S/C25H22ClN3O3/c1-15-4-9-21-20(12-15)23(16(2)29(21)14-17-5-7-18(26)8-6-17)24(30)25(31)28-19-10-11-27-22(13-19)32-3/h4-13H,14H2,1-3H3,(H,27,28,31)" . "FC(Oc1ccc(nc1)C(=O)Nc1csc(n1)C12COC(CC2CSC(=N1)NC(=O)c1ccccc1)C)F" . "FC(Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@@]12CO[C@H](C[C@H]2CSC(=N1)NC(=O)c1ccccc1)C)F" . "JQUCWIWWWKZNCS-LESHARBVSA-N" . "InChI=1S/C25H23F2N5O4S2/c1-14-9-16-11-38-24(31-20(33)15-5-3-2-4-6-15)32-25(16,13-35-14)22-30-19(12-37-22)29-21(34)18-8-7-17(10-28-18)36-23(26)27/h2-8,10,12,14,16,23H,9,11,13H2,1H3,(H,29,34)(H,31,32,33)/t14-,16-,25-/m0/s1" . "CN(CCCOc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1C1CCOCC1)C)C" . "CN(CCCOc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1C1CCOCC1)C)C" . "AOTRIQLYUAFVSC-UHFFFAOYSA-N" . "InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3" . "NC1COCCC1Nc1nnc(c(n1)Nc1cc(C)c2c(c1)cn(n2)C(C)(C)C)C(=O)N" . "N[C@H]1COCC[C@H]1Nc1nnc(c(n1)Nc1cc(C)c2c(c1)cn(n2)C(C)(C)C)C(=O)N" . "ATERGQQFFHVNOJ-LSDHHAIUSA-N" . "InChI=1S/C21H29N9O2/c1-11-7-13(8-12-9-30(21(2,3)4)29-16(11)12)24-19-17(18(23)31)27-28-20(26-19)25-15-5-6-32-10-14(15)22/h7-9,14-15H,5-6,10,22H2,1-4H3,(H2,23,31)(H2,24,25,26,28)/t14-,15+/m0/s1" . "ON=C(c1nonc1N)N1Cc2c(C1)cccc2" . "O/N=C(/c1nonc1N)/N1Cc2c(C1)cccc2" . "QHVIXMMITPHBSL-ACCUITESSA-N" . "InChI=1S/C11H11N5O2/c12-10-9(14-18-15-10)11(13-17)16-5-7-3-1-2-4-8(7)6-16/h1-4,17H,5-6H2,(H2,12,15)/b13-11+" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CC(=O)N)CCC(=O)O)C)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)CCCCN)Cc1ccccc1)CC(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)N)CCC(=O)O)C)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CCCCN)Cc1ccccc1)CC(C)C" . "WAKZDRBORDWUSJ-NXCVNOGKSA-N" . "InChI=1S/C53H88N16O17/c1-28(2)24-36(66-50(83)37(25-30-12-5-4-6-13-30)67-47(80)32(14-7-9-21-54)63-44(77)31(56)17-19-41(72)73)49(82)65-33(15-8-10-22-55)46(79)64-34(16-11-23-60-53(58)59)45(78)61-29(3)43(76)62-35(18-20-42(74)75)48(81)68-38(26-40(57)71)51(84)69-39(27-70)52(85)86/h4-6,12-13,28-29,31-39,70H,7-11,14-27,54-56H2,1-3H3,(H2,57,71)(H,61,78)(H,62,76)(H,63,77)(H,64,79)(H,65,82)(H,66,83)(H,67,80)(H,68,81)(H,69,84)(H,72,73)(H,74,75)(H,85,86)(H4,58,59,60)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1" . "NC1CCC(CC1)Nc1nc(Nc2ccc(cc2)CN2CCOCC2)c2c(n1)n(cn2)C1CCCC1" . "N[C@@H]1CC[C@H](CC1)Nc1nc(Nc2ccc(cc2)CN2CCOCC2)c2c(n1)n(cn2)C1CCCC1" . "SAEGVASGMTZGFI-AQYVVDRMSA-N" . "InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22-" . "Clc1ccccc1n1[nH]c2c(c1=O)c(C)n(c(=O)c2)Cc1ccccn1" . "Clc1ccccc1n1[nH]c2c(c1=O)c(C)n(c(=O)c2)Cc1ccccn1" . "DNKYHHFCPXKFIY-UHFFFAOYSA-N" . "InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3" . "CN(Cc1n(Cc2ccn(n2)C)c(=O)cc2c1c(=O)n([nH]2)c1ccccc1Cl)Cc1cccnc1" . "CN(Cc1n(Cc2ccn(n2)C)c(=O)cc2c1c(=O)n([nH]2)c1ccccc1Cl)Cc1cccnc1" . "QEBYEVQKHRUYPE-UHFFFAOYSA-N" . "InChI=1S/C25H24ClN7O2/c1-30(14-17-6-5-10-27-13-17)16-22-24-20(12-23(34)32(22)15-18-9-11-31(2)28-18)29-33(25(24)35)21-8-4-3-7-19(21)26/h3-13,29H,14-16H2,1-2H3" . "[O-][N+](=O)c1cccc2c1c1c([I-]2)cccc1[N+](=O)[O-]" . "[O-][N+](=O)c1cccc2c1c1c([I-]2)cccc1[N+](=O)[O-]" . "NBIXKUWRZRFYBQ-UHFFFAOYSA-N" . "InChI=1S/C12H6IN2O4/c16-14(17)9-5-1-3-7-11(9)12-8(13-7)4-2-6-10(12)15(18)19/h1-6H/q-1" . "Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C" . "Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C" . "RGYQPQARIQKJKH-UHFFFAOYSA-N" . "InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3" . "Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1" . "Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1" . "DISVMXDWAMMVLT-UHFFFAOYSA-N" . "InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2" . "OC(CN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)cc2)CN1CCOCC1" . "O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1/C(=O)Nc2c1cc(F)cc2)CN1CCOCC1" . "MCTXSDCWFQAGFS-UEXNTNOUSA-N" . "InChI=1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28-24(19)32)27-21-3-2-6-30(25(33)23(15)21)14-17(31)13-29-7-9-34-10-8-29/h4-5,11-12,17,27,31H,2-3,6-10,13-14H2,1H3,(H,28,32)/b19-12-/t17-/m1/s1" . "C#Cc1cccc(c1)NC1N=CN=C2C1C=C(NC(=O)N1CC3C(C1)CCN3C)C(=C2)OC" . "C#Cc1cccc(c1)NC1N=CN=C2C1C=C(NC(=O)N1C[C@H]3[C@@H](C1)CCN3C)C(=C2)OC" . "HJXSISWJKLMCHI-FIFRQSLGSA-N" . "InChI=1S/C25H28N6O2/c1-4-16-6-5-7-18(10-16)28-24-19-11-21(23(33-3)12-20(19)26-15-27-24)29-25(32)31-13-17-8-9-30(2)22(17)14-31/h1,5-7,10-12,15,17,19,22,24,28H,8-9,13-14H2,2-3H3,(H,29,32)/t17-,19?,22+,24?/m1/s1" . "c1cnc2c(c1)cc(cc2)Nc1nc(NC2CC2)c2c(n1)nc[nH]2" . "c1cnc2c(c1)cc(cc2)Nc1nc(NC2CC2)c2c(n1)nc[nH]2" . "QUTFBURLXCODBH-UHFFFAOYSA-N" . "InChI=1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24)" . "CN1CCN(CC1)c1ccc(cc1C)Nc1ncc(c(n1)NC1C2C=CC(C1C(=O)N)C2)F" . "CN1CCN(CC1)c1ccc(cc1C)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)F" . "KSOVGRCOLZZTPF-QMKUDKLTSA-N" . "InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1" . "N#CC(c1nc2c(s1)cccc2)c1ccnc(n1)OCc1ccc(cc1)CN1CCOCC1" . "N#CC(c1nc2c(s1)cccc2)c1ccnc(n1)OCc1ccc(cc1)CN1CCOCC1" . "XCPPIJCBCWUBNT-UHFFFAOYSA-N" . "InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2" . "CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2" . "CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2" . "CBHCDHNUZWWAPP-UHFFFAOYSA-N" . "InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3" . "COc1cc2c(cc1N1CCC(CC1)N1CCCC1)ncc(c2Nc1ccc(c(c1)Cl)Sc1nccn1C)C#N" . "COc1cc2c(cc1N1CCC(CC1)N1CCCC1)ncc(c2Nc1ccc(c(c1)Cl)Sc1nccn1C)C#N" . "CVAKNHIXTWLGJO-UHFFFAOYSA-N" . "InChI=1S/C30H32ClN7OS/c1-36-14-9-33-30(36)40-28-6-5-21(15-24(28)31)35-29-20(18-32)19-34-25-17-26(27(39-2)16-23(25)29)38-12-7-22(8-13-38)37-10-3-4-11-37/h5-6,9,14-17,19,22H,3-4,7-8,10-13H2,1-2H3,(H,34,35)" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(cc2)c1csc(n1)c1ccccc1)CC" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(cc2)c1csc(n1)c1ccccc1)CC" . "QDWKGEFGLQMDAM-UHFFFAOYSA-N" . "InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)" . "OCC1N(C)CCC1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1Cl)C(F)(F)F)O" . "OC[C@@H]1N(C)CC[C@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1Cl)C(F)(F)F)O" . "MRPGRAKIAJJGMM-OCCSQVGLSA-N" . "InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1" . "Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)NC1=NC(CO1)(C)C" . "Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)NC1=NC(CO1)(C)C" . "SDEAXTCZPQIFQM-UHFFFAOYSA-N" . "InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)" . "CCN(CCNC(=O)c1c(C)[nH]c2c1CCCC2=C1C(=O)Nc2c1cc(F)cc2)CC" . "CCN(CCNC(=O)c1c(C)[nH]c2c1CCC/C/2=C/1/C(=O)Nc2c1cc(F)cc2)CC" . "KGSRYTUWXUESJK-FXBPSFAMSA-N" . "InChI=1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-" . "COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "WLAVZAAODLTUSW-UHFFFAOYSA-N" . "InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)" . "CS(=O)CCNCc1ccc(o1)c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F" . "CS(=O)CCNCc1ccc(o1)c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F" . "OAMVGUFHZPRXOM-UHFFFAOYSA-N" . "InChI=1S/C29H26ClFN4O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)" . "Cn1ncc(c1)c1cnc2c(n1)n(nn2)C(c1ccc2n(c1)ccn2)C" . "Cn1ncc(c1)c1cnc2c(n1)n(nn2)[C@H](c1ccc2n(c1)ccn2)C" . "XYDNMOZJKOGZLS-NSHDSACASA-N" . "InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1" . "OCCn1ncc2c1ccc(c2)Oc1ccc(cc1CNC(=O)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)F" . "OCCn1ncc2c1ccc(c2)Oc1ccc(cc1CNC(=O)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)F" . "LNMRSSIMGCDUTP-UHFFFAOYSA-N" . "InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)" . "N#CN=c1n(c2ccc(nc2)C(C#N)(C)C)c2c(n1C)cnc1c2cc(cc1)c1cnc(c(c1)C(F)(F)F)N" . "N#CN=c1n(c2ccc(nc2)C(C#N)(C)C)c2c(n1C)cnc1c2cc(cc1)c1cnc(c(c1)C(F)(F)F)N" . "VJLRLTSXTLICIR-UHFFFAOYSA-N" . "InChI=1S/C27H20F3N9/c1-26(2,13-31)22-7-5-17(11-35-22)39-23-18-8-15(16-9-19(27(28,29)30)24(33)36-10-16)4-6-20(18)34-12-21(23)38(3)25(39)37-14-32/h4-12H,1-3H3,(H2,33,36)" . "OCCC(Nc1ncc2c(n1)n(C)c(=O)c(c2)Oc1ccc(cc1F)F)CCO" . "OCCC(Nc1ncc2c(n1)n(C)c(=O)c(c2)Oc1ccc(cc1F)F)CCO" . "JYYLVUFNAHSSFE-UHFFFAOYSA-N" . "InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)" . "OCCn1ncc(c1)c1cnc(c2c1scc2c1ccc(cc1)NC(=O)Nc1cccc(c1)F)N" . "OCCn1ncc(c1)c1cnc(c2c1scc2c1ccc(cc1)NC(=O)Nc1cccc(c1)F)N" . "WPHKIQPVPYJNAX-UHFFFAOYSA-N" . "InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(c(c1)Nc1nccc(n1)c1cccnc1)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(c(c1)Nc1nccc(n1)c1cccnc1)C" . "BJCJYEYYYGBROF-UHFFFAOYSA-N" . "InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)" . "O=C(c1cccc2c1cccc2)CC[N+](C)(C)C" . "O=C(c1cccc2c1cccc2)CC[N+](C)(C)C" . "WZJKPXZLQTXALB-UHFFFAOYSA-N" . "InChI=1S/C16H20NO/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3/q+1" . "C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F" . "C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F" . "MVZGYPSXNDCANY-UHFFFAOYSA-N" . "InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)" . "OCC(Cn1cnc2c(c1=O)c(Nc1ccc(cc1F)I)c(c(=O)n2C)F)O" . "OC[C@@H](Cn1cnc2c(c1=O)c(Nc1ccc(cc1F)I)c(c(=O)n2C)F)O" . "RCLQNICOARASSR-SECBINFHSA-N" . "InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1" . "OCCONC(=O)c1cc(CN2OCCCC2=O)c(c(c1Nc1ccc(cc1F)I)F)F" . "OCCONC(=O)c1cc(CN2OCCCC2=O)c(c(c1Nc1ccc(cc1F)I)F)F" . "FIMYFEGKMOCQKT-UHFFFAOYSA-N" . "InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)" . "OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2" . "OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2" . "RFWVETIZUQEJEF-UHFFFAOYSA-N" . "InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)" . "Cn1cnc(c1)c1ccc(nc1)Nc1cc2n(cnc2c(c1F)C)CC1CC1" . "Cn1cnc(c1)c1ccc(nc1)Nc1cc2n(cnc2c(c1F)C)CC1CC1" . "INGJMHPGMVUEKY-UHFFFAOYSA-N" . "InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)" . "CCC(c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2" . "CC[C@@H](c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2" . "HDXDQPRPFRKGKZ-INIZCTEOSA-N" . "InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1" . "O=C(N1CSCC1)C1NCC(C1)N1CCN(CC1)c1cc(nn1c1ccccc1)C" . "O=C(N1CSCC1)[C@H]1NC[C@H](C1)N1CCN(CC1)c1cc(nn1c1ccccc1)C" . "WGRQANOPCQRCME-PMACEKPBSA-N" . "InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1" . "CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc([nH]1)C)c1cccc(c1)F)C(=O)N2" . "CCN1CCC(CC1)Nc1ccc2c(c1)/C(=C(/c1ncc([nH]1)C)/c1cccc(c1)F)/C(=O)N2" . "DMQYDVBIPXAAJA-VHXPQNKSSA-N" . "InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)/b24-23-" . "NCc1ccc(cc1)c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)NC(C(=O)O)CCCNC(=N)N" . "NCc1ccc(cc1)c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@H](C(=O)O)CCCNC(=N)N" . "SEXUXSMBJLNXIR-FQEVSTJZSA-N" . "InChI=1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1" . "OC1CNCCC1CNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "YCVGLKWJKIKVBI-MJGOQNOKSA-N" . "InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1" . "O=C1OC(C(C1)NC(=O)C1(CC1)n1c(=O)c(NC(=O)c2ccc(cc2C)Nc2ccc3c(c2)cccc3)cn(c1=O)C(C)C)O" . "O=C1OC([C@H](C1)NC(=O)C1(CC1)n1c(=O)c(NC(=O)c2ccc(cc2C)Nc2ccc3c(c2)cccc3)cn(c1=O)C(C)C)O" . "BTGMTHBOODBMHN-SUHMBNCMSA-N" . "InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1" . "Fc1cnc(nc1NCC(C(F)(F)F)(C(F)(F)F)O)c1nn(c(c1)c1nocc1)Cc1ccccc1F" . "Fc1cnc(nc1NCC(C(F)(F)F)(C(F)(F)F)O)c1nn(c(c1)c1nocc1)Cc1ccccc1F" . "CYSJNTQNMDWAJV-UHFFFAOYSA-N" . "InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32)" . "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(CCCCCCCCCCCCCCC)O)COC1OC(COC(=C)CCc2ccccc2)C(C(C1O)O)O" . "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](CCCCCCCCCCCCCCC)O)CO[C@H]1O[C@H](COC(=C)CCc2ccccc2)[C@@H]([C@@H]([C@H]1O)O)O" . "AACQUTZHAXVZEB-MMSUBXCOSA-N" . "InChI=1S/C60H109NO8/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-42-46-56(63)61-53(54(62)45-41-36-34-32-30-28-17-15-13-11-9-7-5-2)49-68-60-59(66)58(65)57(64)55(69-60)50-67-51(3)47-48-52-43-39-38-40-44-52/h38-40,43-44,53-55,57-60,62,64-66H,3-37,41-42,45-50H2,1-2H3,(H,61,63)/t53-,54+,55+,57-,58-,59+,60-/m0/s1" . "O=C(c1ccc(cc1)Nc1oc(nc1C(=O)N)c1c(F)cccc1Cl)N1CCOCC1" . "O=C(c1ccc(cc1)Nc1oc(nc1C(=O)N)c1c(F)cccc1Cl)N1CCOCC1" . "HEDPDFHTQKEORT-UHFFFAOYSA-N" . "InChI=1S/C21H18ClFN4O4/c22-14-2-1-3-15(23)16(14)19-26-17(18(24)28)20(31-19)25-13-6-4-12(5-7-13)21(29)27-8-10-30-11-9-27/h1-7,25H,8-11H2,(H2,24,28)" . "CCCCC(NC(=O)CCCCC(=O)Nc1ccccc1)CCCC(=O)NO" . "CCCC[C@H](NC(=O)CCCCC(=O)Nc1ccccc1)CCCC(=O)NO" . "ZYFVLHYHXNFROE-KRWDZBQOSA-N" . "InChI=1S/C21H33N3O4/c1-2-3-10-17(13-9-16-21(27)24-28)22-19(25)14-7-8-15-20(26)23-18-11-5-4-6-12-18/h4-6,11-12,17,28H,2-3,7-10,13-16H2,1H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1" . "CCC(=O)N1CCC(CC1)C(=O)NCc1ccc(cc1C(F)(F)F)OC" . "CCC(=O)N1CCC(CC1)C(=O)NCc1ccc(cc1C(F)(F)F)OC" . "IJNCJYJSEFDKFC-UHFFFAOYSA-N" . "InChI=1S/C18H23F3N2O3/c1-3-16(24)23-8-6-12(7-9-23)17(25)22-11-13-4-5-14(26-2)10-15(13)18(19,20)21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,25)" . "[N-]=[N+]=NCCCOc1cc(C)c(c(c1)C)C(=O)NC(C(=O)OC(C(c1cc(OC)c(cc1[N+](=O)[O-])OC)C)C)CNC(=O)CNC(=O)c1cccc(c1)NC(=N)N" . "[N-]=[N+]=NCCCOc1cc(C)c(c(c1)C)C(=O)NC(C(=O)OC(C(c1cc(OC)c(cc1[N+](=O)[O-])OC)C)C)CNC(=O)CNC(=O)c1cccc(c1)NC(=N)N" . "CCIKYPZLPYEMFX-UHFFFAOYSA-N" . "InChI=1S/C37H46N10O10/c1-20-13-26(56-12-8-11-43-46-40)14-21(2)33(20)35(50)45-28(18-41-32(48)19-42-34(49)24-9-7-10-25(15-24)44-37(38)39)36(51)57-23(4)22(3)27-16-30(54-5)31(55-6)17-29(27)47(52)53/h7,9-10,13-17,22-23,28H,8,11-12,18-19H2,1-6H3,(H,41,48)(H,42,49)(H,45,50)(H4,38,39,44)" . "OCCn1cc(c(c1c1ccccc1C(F)(F)F)C)C(=O)Nc1ccc(cc1)S(=O)(=O)C" . "OCCn1cc(c(c1c1ccccc1C(F)(F)F)C)C(=O)Nc1ccc(cc1)S(=O)(=O)C" . "NOSNHVJANRODGR-UHFFFAOYSA-N" . "InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)" . "OB(C1CCCN1C(=O)CNC(=O)c1cccc2c1cccc2)O" . "OB([C@@H]1CCCN1C(=O)CNC(=O)c1cccc2c1cccc2)O" . "QVGIJGPVKMNEPA-HNNXBMFYSA-N" . "InChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1" . "CC(C(C(=O)N1CCCC1B(O)O)N)C" . "CC([C@@H](C(=O)N1CCC[C@H]1B(O)O)N)C" . "FKCMADOPPWWGNZ-YUMQZZPRSA-N" . "InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1" . "ONC(=O)c1ccc(cc1)Cn1c2CN3CC(c2c2c1cccc2)C(=O)N(C3=O)C" . "ONC(=O)c1ccc(cc1)Cn1c2CN3CC(c2c2c1cccc2)C(=O)N(C3=O)C" . "ZCAIUGLOTHAUQX-UHFFFAOYSA-N" . "InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)" . "Brc1ccc2c(c1)C(=NC(c1n2cnc1C(=O)O)C)c1ccccc1F" . "Brc1ccc2c(c1)C(=N[C@@H](c1n2cnc1C(=O)O)C)c1ccccc1F" . "OSBXEAZWQGBYFU-SNVBAGLBSA-N" . "InChI=1S/C19H13BrFN3O2/c1-10-18-17(19(25)26)22-9-24(18)15-7-6-11(20)8-13(15)16(23-10)12-4-2-3-5-14(12)21/h2-10H,1H3,(H,25,26)/t10-/m1/s1" . "N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2N" . "N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N" . "WGUXQKIWMYYPQI-SFHVURJKSA-N" . "InChI=1S/C21H20N4O2/c1-12(2)26-19-9-6-13(10-14(19)11-22)21-24-20(25-27-21)17-5-3-4-16-15(17)7-8-18(16)23/h3-6,9-10,12,18H,7-8,23H2,1-2H3/t18-/m0/s1" . "S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCc2ccccc2)C(=O)N1" . "S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCc2ccccc2)C(=O)N1" . "WJNBKDZARWFFKR-UHFFFAOYSA-N" . "InChI=1S/C18H13ClN2O3S/c19-14-9-12(8-13-16(22)20-18(25)21-17(13)23)6-7-15(14)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,25)" . "[O-]C(=O)C(CS(=O)(=O)O)N" . "[O-]C(=O)C(CS(=O)(=O)O)N" . "XVOYSCVBGLVSOL-UHFFFAOYSA-M" . "InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(NCCOCCOCCOCCOCCC(=O)N(C1CCC3(C(C1)CCC1C3CCC3(C1CCC3c1ccc3c(c1)cncc3)C)C)C)ccc2" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(NCCOCCOCCOCCOCCC(=O)N([C@H]1CC[C@]3(C(C1)CC[C@@H]1C3CC[C@]3([C@H]1CC[C@@H]3c1ccc3c(c1)cncc3)C)C)C)ccc2" . "JECHBTRAPARMGI-KMIZWFMDSA-N" . "InChI=1S/C53H69N5O9/c1-52-19-15-38(32-37(52)9-10-39-42-12-11-41(53(42,2)20-16-43(39)52)35-8-7-34-17-21-54-33-36(34)31-35)57(3)47(60)18-23-64-25-27-66-29-30-67-28-26-65-24-22-55-44-6-4-5-40-48(44)51(63)58(50(40)62)45-13-14-46(59)56-49(45)61/h4-8,17,21,31,33,37-39,41-43,45,55H,9-16,18-20,22-30,32H2,1-3H3,(H,56,59,61)/t37?,38-,39-,41+,42-,43?,45?,52-,53+/m0/s1" . "CN(C1CCC2(C(=CCC3C2CCC2(C3CCC2c2ccc3c(c2)cncc3)C)C1)C)C" . "CN([C@H]1CC[C@]2(C(=CC[C@@H]3C2CC[C@]2([C@H]3CC[C@@H]2c2ccc3c(c2)cncc3)C)C1)C)C" . "IWZSHWBGHQBIML-ZGGLMWTQSA-N" . "InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-6-5-20-13-16-31-19-22(20)17-21/h5-7,13,16-17,19,24-28H,8-12,14-15,18H2,1-4H3/t24-,25-,26+,27-,28?,29-,30+/m0/s1" . "CN(C1CC23CCC4(O2)C(=CCC2(C4CCC2c2ccc4c(c2)cncc4)C)C=C3C(C1O)O)C" . "CN([C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2([C@H]4CC[C@@H]2c2ccc4c(c2)cncc4)C)C=C3[C@H]([C@@H]1O)O)C" . "KSGZCKSNTAJOJS-DZBMUNJRSA-N" . "InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1" . "CN1CCN(C(=O)C1)c1cccc2c1CCN(C2C(=O)Nc1ccc(cc1)C(=O)O)C(=O)C=Cc1c(F)c(Cl)ccc1n1cnnn1" . "CN1CCN(C(=O)C1)c1cccc2c1CCN([C@@H]2C(=O)Nc1ccc(cc1)C(=O)O)C(=O)/C=C/c1c(F)c(Cl)ccc1n1cnnn1" . "WYFCZWSWFGJODV-MIANJLSGSA-N" . "InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1" . "O1CCC(CC1)NCC=CCN(C1CCCc2c1nccc2)CC1NCc2c(C1)cccc2" . "O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2" . "QPAGOTNPJABYCP-FITNPZAZSA-N" . "InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1" . "NCCCCN(C1CCCc2c1nccc2)CC1NCc2c(C1)cccc2" . "NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2" . "MYCKNKHATQGHEV-YADHBBJMSA-N" . "InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1" . "CCN(c1cc2oc(cc2c(c1CC)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCN(CC1)C(C)C)C1CCOCC1" . "CCN(c1cc2oc(cc2c(c1CC)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCN(CC1)C(C)C)C1CCOCC1" . "NYWVSLBALKNFJR-UHFFFAOYSA-N" . "InChI=1S/C34H48N4O4/c1-7-26-29(38(8-2)25-11-15-41-16-12-25)19-31-27(18-30(42-31)24-9-13-37(14-10-24)21(3)4)32(26)34(40)35-20-28-22(5)17-23(6)36-33(28)39/h17-19,21,24-25H,7-16,20H2,1-6H3,(H,35,40)(H,36,39)" . "CN(CCC(c1ccc(cc1)F)Oc1cccc2c1OCO2)C" . "CN(CCC(c1ccc(cc1)F)Oc1cccc2c1OCO2)C" . "XFCIOLPMKMDDNQ-UHFFFAOYSA-N" . "InChI=1S/C18H20FNO3/c1-20(2)11-10-15(13-6-8-14(19)9-7-13)23-17-5-3-4-16-18(17)22-12-21-16/h3-9,15H,10-12H2,1-2H3" . "CCOc1cc(ccc1OCC)c1scc(n1)c1cccc(n1)C(=O)O" . "CCOc1cc(ccc1OCC)c1scc(n1)c1cccc(n1)C(=O)O" . "XDBHURGONHZNJF-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)" . "OC(=O)C(c1ccc(cc1)C=C1CCCCC1=O)C" . "OC(=O)C(c1ccc(cc1)/C=C/1/CCCCC1=O)C" . "AUZUGWXLBGZUPP-GXDHUFHOSA-N" . "InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+" . "CC(OC(=O)CCCC1CCC2C(OC1)CC(C2C=CC(COc1cc(F)ccc1F)O)O)C" . "CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C" . "BKVUSNOUTQMSBE-XCMGCKIWSA-N" . "InChI=1S/C26H36F2O6/c1-16(2)34-26(31)5-3-4-17-6-9-21-20(23(30)13-24(21)32-14-17)10-8-19(29)15-33-25-12-18(27)7-11-22(25)28/h7-8,10-12,16-17,19-21,23-24,29-30H,3-6,9,13-15H2,1-2H3/b10-8+/t17-,19+,20+,21+,23+,24-/m0/s1" . "O=C(c1cccc(c1)N=Nc1cccc(c1)OC1CC(C1)N1CCCCC1)N1CCCC1" . "O=C(c1cccc(c1)/N=N/c1cccc(c1)OC1C[C@H](C1)N1CCCCC1)N1CCCC1" . "QQXICCNAEXQIHK-JMBHWGOTSA-N" . "InChI=1S/C26H32N4O2/c31-26(30-14-4-5-15-30)20-8-6-9-21(16-20)27-28-22-10-7-11-24(17-22)32-25-18-23(19-25)29-12-2-1-3-13-29/h6-11,16-17,23,25H,1-5,12-15,18-19H2/b28-27+/t23-,25?" . "O=C(c1cccc(c1)N=Nc1cccc(c1)OCCCN1CCCCC1)N1CCCC1" . "O=C(c1cccc(c1)/N=N/c1cccc(c1)OCCCN1CCCCC1)N1CCCC1" . "AXFRZIJLVKELGM-RQZHXJHFSA-N" . "InChI=1S/C25H32N4O2/c30-25(29-16-4-5-17-29)21-9-6-10-22(19-21)26-27-23-11-7-12-24(20-23)31-18-8-15-28-13-2-1-3-14-28/h6-7,9-12,19-20H,1-5,8,13-18H2/b27-26-" . "O=C(c1ccc2c(c1)ccc(c2)OCCCN1CCCCC1)N1CCCC1" . "O=C(c1ccc2c(c1)ccc(c2)OCCCN1CCCCC1)N1CCCC1" . "KBLLVDUPDMDMON-UHFFFAOYSA-N" . "InChI=1S/C23H30N2O2/c26-23(25-14-4-5-15-25)21-8-7-20-18-22(10-9-19(20)17-21)27-16-6-13-24-11-2-1-3-12-24/h7-10,17-18H,1-6,11-16H2" . "CC(CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1OC(COS(=O)(=O)O)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC1OC(COS(=O)(=O)O)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC1OC(COS(=O)(=O)O)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC1OC(COS(=O)(=O)O)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C)C" . "LNUFLCYMSVYYNW-ZPJMAFJPSA-N" . "InChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(108-121(79,80)81)38(104-117(67,68)69)34(30(96-46)18-91-112(52,53)54)100-47-43(109-122(82,83)84)39(105-118(70,71)72)35(31(97-47)19-92-113(55,56)57)101-48-44(110-123(85,86)87)40(106-119(73,74)75)36(32(98-48)20-93-114(58,59)60)102-49-45(111-124(88,89)90)41(107-120(76,77)78)37(103-116(64,65)66)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-/m1/s1" . "CC#CC(=O)NC1CCCN(C1)c1c(F)cc(c2c1c(C)c([nH]2)C)C(=O)N" . "CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(c2c1c(C)c([nH]2)C)C(=O)N" . "VJPPLCNBDLZIFG-ZDUSSCGKSA-N" . "InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1" . "CC(C1=NCCN1)Oc1c(Cl)cccc1Cl" . "CC(C1=NCCN1)Oc1c(Cl)cccc1Cl" . "KSMAGQUYOIHWFS-UHFFFAOYSA-N" . "InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)" . "COc1ccc2c(n1)CCN(C2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C)C(=O)C1CC(C1)CC(=O)O" . "COc1ccc2c(n1)CCN([C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C)C(=O)[C@@H]1C[C@@H](C1)CC(=O)O" . "ICMFYVOUDGRBLG-VFHHBZAHSA-N" . "InChI=1S/C28H32FN3O5/c1-28(2)8-6-16-13-18(14-20(29)24(16)28)30-26(35)25-19-4-5-22(37-3)31-21(19)7-9-32(25)27(36)17-10-15(11-17)12-23(33)34/h4-5,13-15,17,25H,6-12H2,1-3H3,(H,30,35)(H,33,34)/t15-,17+,25-/m1/s1" . "OC(=O)C=Cc1ccc(cc1)Cn1ccnc1" . "OC(=O)/C=C/c1ccc(cc1)Cn1ccnc1" . "SHZKQBHERIJWAO-AATRIKPKSA-N" . "InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+" . "FC(Oc1ccc(c2c1oc1c2cncc1)C(=O)N=c1c(Cl)cn(cc1Cl)O)F" . "FC(Oc1ccc(c2c1oc1c2cncc1)C(=O)N=c1c(Cl)cn(cc1Cl)O)F" . "CFRXVFRHMZLQBS-UHFFFAOYSA-N" . "InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H" . "OCCN1CCN(CC1)c1ccc(c(c1F)F)Nc1ncc2c(n1)c(ccc2)c1cccc(c1)NC(=O)C=C" . "OCCN1CCN(CC1)c1ccc(c(c1F)F)Nc1ncc2c(n1)c(ccc2)c1cccc(c1)NC(=O)C=C" . "IDRGFNPZDVBSSE-UHFFFAOYSA-N" . "InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1occ2" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1occ2" . "LZMJNVRJMFMYQS-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)" . "C=CC(=O)N1CCC(CC1)[C@@H]1CCNc2n1nc(c2C(=O)N)c1ccc(cc1)Oc1ccccc1" . "C=CC(=O)N1CCC(CC1)[C@@H]1CCNc2n1nc(c2C(=O)N)c1ccc(cc1)Oc1ccccc1" . "RNOAOAWBMHREKO-QFIPXVFZSA-N" . "InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1" . "COc1cccc(c1)c1ccc(c(c1)F)NC(=O)C1=C(CCC1)C(=O)O" . "COc1cccc(c1)c1ccc(c(c1)F)NC(=O)C1=C(CCC1)C(=O)O" . "XPRDUGXOWVXZLL-UHFFFAOYSA-N" . "InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)" . "FC(Oc1ccc(cc1)c1ccc2n(c1)c(nn2)C(F)(F)F)(F)F" . "FC(Oc1ccc(cc1)c1ccc2n(c1)c(nn2)C(F)(F)F)(F)F" . "FEVBKJITJDHASC-UHFFFAOYSA-N" . "InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H" . "Fc1cc(C(=O)N)c2c(c1c1cccc(c1C)n1c(=O)c3cccc(c3n(c1=O)C)F)c1CCC(Cc1[nH]2)C(O)(C)C" . "Fc1cc(C(=O)N)c2c(c1c1cccc(c1C)n1c(=O)c3cccc(c3n(c1=O)C)F)c1CC[C@@H](Cc1[nH]2)C(O)(C)C" . "ZRYMMWAJAFUANM-INIZCTEOSA-N" . "InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1" . "CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C" . "CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C" . "PDNNUMNEXITLCZ-UHFFFAOYSA-N" . "InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)" . "N#CC1(CC1)NC(=O)C1CC(CN1C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(cc1C(F)(F)F)c1cnn(c1)C" . "N#CC1(CC1)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(cc1C(F)(F)F)c1cnn(c1)C" . "KXAAIORSMACJSI-AEFFLSMTSA-N" . "InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1" . "[O-][n+]1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2" . "[O-][n+]1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2" . "JJWKQXNHYDJXKF-UHFFFAOYSA-N" . "InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)" . "Cc1noc(n1)C(=Cc1cccc(c1)c1cc(cc2c1nccc2)C(S(=O)(=O)C)(C)C)c1ccc(cc1)S(=O)(=O)C" . "Cc1noc(n1)/C(=C/c1cccc(c1)c1cc(cc2c1nccc2)C(S(=O)(=O)C)(C)C)/c1ccc(cc1)S(=O)(=O)C" . "YYGZHVJDHMMABU-OGLMXYFKSA-N" . "InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+" . "CC(=c1[nH]c(c[nH]1)C(C(C(CO)O)O)O)N=O" . "C/C(=c/1/[nH]c(c[nH]1)[C@H]([C@@H]([C@@H](CO)O)O)O)/N=O" . "CGJLPLVZAAEKTK-LIVYHJONSA-N" . "InChI=1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,10-11,13-16H,3H2,1H3/b9-4+/t6-,7-,8-/m1/s1" . "CCOc1ccc(cc1)c1nn2c(c1c1ccc(cc1)S(=O)(=O)C)cccn2" . "CCOc1ccc(cc1)c1nn2c(c1c1ccc(cc1)S(=O)(=O)C)cccn2" . "NXMZBNYLCVTRGB-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3" . "CC(=NCCSCCC(C(=O)O)N)N" . "CC(=NCCSCC[C@@H](C(=O)O)N)N" . "MOLOJNHYNHBPCW-ZETCQYMHSA-N" . "InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1" . "NC(=O)c1occ(c1)c1cnc(c2n1ncn2)Nc1ccc(cc1)N1CCN(CC1)C(C)(C)C" . "NC(=O)c1occ(c1)c1cnc(c2n1ncn2)Nc1ccc(cc1)N1CCN(CC1)C(C)(C)C" . "DLGZLIXYVSQGOX-UHFFFAOYSA-N" . "InChI=1S/C24H28N8O2/c1-24(2,3)31-10-8-30(9-11-31)18-6-4-17(5-7-18)29-22-23-27-15-28-32(23)19(13-26-22)16-12-20(21(25)33)34-14-16/h4-7,12-15H,8-11H2,1-3H3,(H2,25,33)(H,26,29)" . "O=C(C1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O" . "O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O" . "CADWTPLFEZSAHM-OAQYLSRUSA-N" . "InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)/t21-/m1/s1" . "OC(=O)C(NC(=O)c1ccc(cc1)CCc1ccc2c(c1)c(N)nc(n2)N)CC(=C)C(=O)O" . "OC(=O)[C@@H](NC(=O)c1ccc(cc1)CCc1ccc2c(c1)c(N)nc(n2)N)CC(=C)C(=O)O" . "NAWXUBYGYWOOIX-SFHVURJKSA-N" . "InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)/t18-/m0/s1" . "OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc(c1C)C(=O)NC(=C)N)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O" . "OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc(c1C)C(=O)NC(=C)N)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O" . "GUVMFDICMFQHSZ-UHFFFAOYSA-N" . "Ic1ccc(cc1)N(C(=O)C1CCCN1C(=O)C(C(C)(C)C)NC(=O)C=C(c1ccc(cc1)OP(=O)(O)O)C)c1ccccc1" . "Ic1ccc(cc1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)/C=C(/c1ccc(cc1)OP(=O)(O)O)/C)c1ccccc1" . "CGLGRSOJPUXNFA-YVXBOAIISA-N" . "InChI=1S/C33H37IN3O7P/c1-22(23-12-18-27(19-13-23)44-45(41,42)43)21-29(38)35-30(33(2,3)4)32(40)36-20-8-11-28(36)31(39)37(25-9-6-5-7-10-25)26-16-14-24(34)15-17-26/h5-7,9-10,12-19,21,28,30H,8,11,20H2,1-4H3,(H,35,38)(H2,41,42,43)/b22-21+/t28-,30+/m0/s1" . "Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C" . "Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C" . "QHADVLVFMKEIIP-UHFFFAOYSA-N" . "InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)" . "OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2" . "OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2" . "WQAGVQVBDHOHRD-UHFFFAOYSA-N" . "InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)" . "O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F" . "O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F" . "IVUGBSGLHRJSSP-UHFFFAOYSA-N" . "InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)" . "CC(=CC(C(=O)O)N)CP(=O)(O)O" . "C/C(=C/C(C(=O)O)N)/CP(=O)(O)O" . "BDYHNCZIGYIOGJ-DUXPYHPUSA-N" . "InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+" . "O=C(NCc1ccccc1)CNC(=O)C1Cc2ccccc2CN1C(=O)C(Cc1c(C)cc(cc1C)O)N" . "O=C(NCc1ccccc1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(cc1C)O)N" . "SYOVEDOWOXNOJG-SVBPBHIXSA-N" . "InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1" . "CCNC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2C)c2c(n1)C(C)(C)S(=C)(=C)C2" . "CCNC(=O)Nc1ccc(cc1)c1nc(N2CCOC[C@@H]2C)c2c(n1)C(C)(C)S(=C)(=C)C2" . "AQEVFCKBHLCDIP-INIZCTEOSA-N" . "InChI=1S/C24H33N5O2S/c1-7-25-23(30)26-18-10-8-17(9-11-18)21-27-20-19(15-32(5,6)24(20,3)4)22(28-21)29-12-13-31-14-16(29)2/h8-11,16H,5-7,12-15H2,1-4H3,(H2,25,26,30)/t16-/m0/s1" . "OC1CCC(CC1)Nc1ncc2c(n1)n(C1COCC1)c(n2)Nc1c(F)cc(cc1F)F" . "OC1CCC(CC1)Nc1ncc2c(n1)n([C@@H]1COCC1)c(n2)Nc1c(F)cc(cc1F)F" . "IBGLGMOPHJQDJB-MOKVOYLWSA-N" . "InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1" . "CC(=CCOP(=O)(NC(C(=O)OCc1ccccc1)C)Oc1ccccc1)CO[Si](C(C)(C)C)(C)C" . "C/C(=C/COP(=O)(N[C@H](C(=O)OCc1ccccc1)C)Oc1ccccc1)/CO[Si](C(C)(C)C)(C)C" . "OAOYKSGPQULCDH-WHZCJLAPSA-N" . "InChI=1S/C27H40NO6PSi/c1-22(20-33-36(6,7)27(3,4)5)18-19-32-35(30,34-25-16-12-9-13-17-25)28-23(2)26(29)31-21-24-14-10-8-11-15-24/h8-18,23H,19-21H2,1-7H3,(H,28,30)/b22-18+/t23-,35?/m0/s1" . "CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O" . "CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O" . "SSEBTPPFLLCUMN-UHFFFAOYSA-N" . "InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3" . "FCC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC" . "[18F]CC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC" . "YZXTXNWZTAVDKH-LRFGSCOBSA-N" . "InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/i20-1" . "FCC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC" . "FC[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC" . "YZXTXNWZTAVDKH-KPAZRMRSSA-N" . "InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/t12-,15-,19-/m1/s1" . "OC(=O)C1(O)SCC(SC1)(O)C(=O)O" . "OC(=O)C1(O)SCC(SC1)(O)C(=O)O" . "GYZMXMSJOZUNEQ-UHFFFAOYSA-N" . "InChI=1S/C6H8O6S2/c7-3(8)5(11)1-13-6(12,2-14-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10)" . "COC1CC(C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)C(=CC=CC(C(C(=CC(C1O)C)C)OC(=O)N)OC)C" . "CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C/[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C" . "QTQAWLPCGQOSGP-KSRBKZBZSA-N" . "InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1" . "COC1CC(C)CC2=C(NCCN(C)C)C(=O)C=C(C2=O)NC(=O)C(=CC=CC(C(C(=CC(C1O)C)C)OC(=O)N)OC)C" . "CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C/[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C" . "KUFRQPKVAWMTJO-LMZWQJSESA-N" . "InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1" . "C=CCNc1c(O)cc2c(c1CC(C)CC(OC)C(O)C(C)C=C(C)C(C(C=CC=C(C(=O)N2)C)OC)OC(=O)N)O.Cl" . "C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)/[C@@H]([C@H](/C=C/C=C(/C(=O)N2)/C)OC)OC(=O)N)O.Cl" . "OIRUWDYJGMHDHJ-AFXVCOSJSA-N" . "InChI=1S/C31H45N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1" . "COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC" . "COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC" . "TWUSDDMONZULSC-UHFFFAOYSA-N" . "InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3" . "O=C1NC(=O)C(=Cc2ccc3c(c2)c(ccn3)c2ccncc2)S1" . "O=C1NC(=O)/C(=C/c2ccc3c(c2)c(ccn3)c2ccncc2)/S1" . "QDITZBLZQQZVEE-YBEGLDIGSA-N" . "InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-" . "COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1" . "COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1" . "ARQDTTRYUMUINH-UHFFFAOYSA-N" . "InChI=1S/C19H24N4O2/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-4-5-9-20-16/h2-9H,10-15H2,1H3,(H,21,24)" . "OCC(COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O" . "OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O" . "KJKKMMMRWISKRF-FQEVSTJZSA-N" . "InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1" . "Oc1cc2ccccc2c2c1cccc2" . "Oc1cc2ccccc2c2c1cccc2" . "DZKIUEHLEXLYKM-UHFFFAOYSA-N" . "InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H" . "N#Cc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)C1(C)COC(C(=N1)N)(C)C(F)(F)F)F" . "N#Cc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)[C@]1(C)CO[C@@](C(=N1)N)(C)C(F)(F)F)F" . "BQFHTVUWPJXLOW-VQTJNVASSA-N" . "InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)N=C(N)OCC1(F)F)F" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)OCC1(F)F)F" . "DVMUZHLUMHPCGZ-QGZVFWFLSA-N" . "InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1" . "CCCC(P(=O)(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)CCCCC1SCC2C1NC(=O)N2)Cc1ccc(cc1)O)CC(=O)O" . "CCCC(P(=O)(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CCCCC1SC[C@H]2[C@@H]1NC(=O)N2)Cc1ccc(cc1)O)CC(=O)O" . "QFLWZFQWSBQYPS-AWRAUJHKSA-N" . "InChI=1S/C44H55Cl2N6O11PS/c1-4-7-37(64(61,62-30-18-12-27(45)13-19-30)63-31-20-14-28(46)15-21-31)51-42(58)33(23-38(55)56)47-41(57)32(22-26-10-16-29(53)17-11-26)48-43(59)39(25(2)3)50-36(54)9-6-5-8-35-40-34(24-65-35)49-44(60)52-40/h10-21,25,32-35,37,39-40,53H,4-9,22-24H2,1-3H3,(H,47,57)(H,48,59)(H,50,54)(H,51,58)(H,55,56)(H2,49,52,60)/t32-,33-,34-,35?,37?,39-,40-/m0/s1" . "CC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)C(F)F" . "C[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)C(F)F" . "AACUJFVOHGRMTR-DPXNYUHVSA-N" . "InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1" . "Clc1cccc(c1CSc1nnc(s1)c1cnccn1)Cl" . "Clc1cccc(c1CSc1nnc(s1)c1cnccn1)Cl" . "BQNXBSYSQXSXPT-UHFFFAOYSA-N" . "InChI=1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2" . "O=C(Nc1cc(nn1c1ccccc1)C(C)(C)C)Nc1ccc(cc1F)Oc1ccnc2c1ncc(=O)[nH]2" . "O=C(Nc1cc(nn1c1ccccc1)C(C)(C)C)Nc1ccc(cc1F)Oc1ccnc2c1ncc(=O)[nH]2" . "KYYKGSDLXXKQCR-UHFFFAOYSA-N" . "InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)" . "CSc1cc(ccc1NC(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)Oc1ccnc2c1ncc(=O)[nH]2" . "CSc1cc(ccc1NC(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)Oc1ccnc2c1ncc(=O)[nH]2" . "DPMYVVGAYAPQNS-UHFFFAOYSA-N" . "InChI=1S/C28H27N7O3S/c1-28(2,3)22-15-23(35(34-22)17-8-6-5-7-9-17)32-27(37)31-19-11-10-18(14-21(19)39-4)38-20-12-13-29-26-25(20)30-16-24(36)33-26/h5-16H,1-4H3,(H,29,33,36)(H2,31,32,37)" . "C1CCC(C1)c1[nH]c2c(n1)nc(nc2c1ccccc1)c1ccccc1" . "C1CCC(C1)c1[nH]c2c(n1)nc(nc2c1ccccc1)c1ccccc1" . "NDJOQVVSPLVIDN-UHFFFAOYSA-N" . "InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)" . "CC(C(C(c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C)NC(=O)C(F)(F)C)C" . "CC([C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C)NC(=O)C(F)(F)C)C" . "ZQFNDBISEYQVRR-LOSJGSFVSA-N" . "InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1" . "COc1nc(sc1C(=O)N)c1ccnc(c1)NC(=O)C1CC1" . "COc1nc(sc1C(=O)N)c1ccnc(c1)NC(=O)C1CC1" . "CYADPSMQNARVII-UHFFFAOYSA-N" . "InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)" . "COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2c1cccc2)c1ccnc(c1)NC(=O)C1CC1" . "COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2c1cccc2)c1ccnc(c1)NC(=O)C1CC1" . "XYSJVXMQSXKJCN-UHFFFAOYSA-N" . "InChI=1S/C30H32N6O3S/c1-39-29-26(40-30(36-29)19-13-16-31-24(17-19)35-27(37)18-11-12-18)28(38)33-15-6-14-32-25-20-7-2-4-9-22(20)34-23-10-5-3-8-21(23)25/h2,4,7,9,13,16-18H,3,5-6,8,10-12,14-15H2,1H3,(H,32,34)(H,33,38)(H,31,35,37)" . "OCCNC(=O)c1c(C)nn(c1CO)c1cccc2c1sc(c2)Cc1cccc(c1)C(F)(F)F" . "OCCNC(=O)c1c(C)nn(c1CO)c1cccc2c1sc(c2)Cc1cccc(c1)C(F)(F)F" . "VJMRKWPMFQGIPI-UHFFFAOYSA-N" . "InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)" . "[O-][n+]1cccc(c1)c1nc2c(cc1C(C(F)(F)F)Nc1ncnc3c1nccc3)cccc2Cl" . "[O-][n+]1cccc(c1)c1nc2c(cc1[C@H](C(F)(F)F)Nc1ncnc3c1nccc3)cccc2Cl" . "LNLJHGXOFYUARS-OAQYLSRUSA-N" . "InChI=1S/C23H14ClF3N6O/c24-16-6-1-4-13-10-15(18(31-19(13)16)14-5-3-9-33(34)11-14)21(23(25,26)27)32-22-20-17(29-12-30-22)7-2-8-28-20/h1-12,21H,(H,29,30,32)/t21-/m1/s1" . "COc1ccc(c(c1)S(=O)(=O)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)C(NS(=O)(=O)C)C" . "COc1ccc(c(c1)S(=O)(=O)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)[C@@H](NS(=O)(=O)C)C" . "NXODIUKWAVUFGF-INIZCTEOSA-N" . "InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1" . "COc1cc(ccc1c1cc(ccc1F)c1cnnc2c1ncn2CC)S(=O)(=O)CC" . "COc1cc(ccc1c1cc(ccc1F)c1cnnc2c1ncn2CC)S(=O)(=O)CC" . "PTTQXDBPTFOCMT-UHFFFAOYSA-N" . "InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3" . "N#Cc1cc(ccc1Oc1ccc(c(c1)C(F)(F)F)Cl)NS(=O)(=O)c1ccc(cc1)N" . "N#Cc1cc(ccc1Oc1ccc(c(c1)C(F)(F)F)Cl)NS(=O)(=O)c1ccc(cc1)N" . "GADGQEKPNKSGMT-UHFFFAOYSA-N" . "InChI=1S/C20H13ClF3N3O3S/c21-18-7-4-15(10-17(18)20(22,23)24)30-19-8-3-14(9-12(19)11-25)27-31(28,29)16-5-1-13(26)2-6-16/h1-10,27H,26H2" . "N#Cc1cc(OCCN2CC(CC2=O)C2(C)CCS(=O)(=O)CC2)ccc1F" . "N#Cc1cc(OCCN2C[C@@H](CC2=O)C2(C)CCS(=O)(=O)CC2)ccc1F" . "SYEMWCXBADSSGE-OAHLLOKOSA-N" . "InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1" . "Cc1cccc(c1)c1ccnc2n1ncc2C(=O)N" . "Cc1cccc(c1)c1ccnc2n1ncc2C(=O)N" . "HNKGGVGQAVODNJ-UHFFFAOYSA-N" . "InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)" . "CCCCCC=CC(=O)CCc1ccc(c(c1)OC)O" . "CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O" . "OQWKEEOHDMUXEO-BQYQJAHWSA-N" . "InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+" . "CCC(c1ccc(c(c1)N)C(=O)O)NC(=O)N1CC(=NOc2ccccc2)NCC(C1=O)Cc1cc(Cl)ccc1OC" . "CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1C/C(=N/Oc2ccccc2)/NC[C@H](C1=O)Cc1cc(Cl)ccc1OC" . "LHASZEBEQGPCFM-CJFMBICVSA-N" . "InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20-,25-/m1/s1" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1nnc2n1cccc2)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1nnc2n1cccc2)C" . "SLIVDYMORZGPLW-UHFFFAOYSA-N" . "InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)" . "O=C(N1CC2C(C1)C2CNC(=O)c1ccc2c(c1)nn[nH]2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "O=C(N1C[C@@H]2[C@H](C1)[C@@H]2CNC(=O)c1ccc2c(c1)nn[nH]2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "ZDOBSAPHUUUOHX-BJWYYQGGSA-N" . "InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16+,17-" . "CC1CC(N)CC(C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "VRQXRVAKPDCRCI-ZNMIVQPWSA-N" . "InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1" . "COCc1c(CN2CCNC(=O)C2)n2c(c1c1cc3c(s1)c(OC)cc(c3)C)c(N)ncn2" . "COCc1c(CN2CCNC(=O)C2)n2c(c1c1cc3c(s1)c(OC)cc(c3)C)c(N)ncn2" . "HNLRRJSKGXOYNO-UHFFFAOYSA-N" . "InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)" . "C=CC(=O)N1CCN(CC1)CCCn1c2nc(NC)ncc2cc(c1=O)c1c(Cl)c(OC)cc(c1Cl)OC" . "C=CC(=O)N1CCN(CC1)CCCn1c2nc(NC)ncc2cc(c1=O)c1c(Cl)c(OC)cc(c1Cl)OC" . "PUIXMSRTTHLNKI-UHFFFAOYSA-N" . "InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)" . "Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2" . "Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2" . "BEMNJULZEQTDJY-UHFFFAOYSA-N" . "InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)" . "C=CC(=O)N1CCC(C1)n1nc(c2c1ncnc2N)C#Cc1cc(OC)cc(c1)OC" . "C=CC(=O)N1CC[C@@H](C1)n1nc(c2c1ncnc2N)C#Cc1cc(OC)cc(c1)OC" . "KEIPNCCJPRMIAX-HNNXBMFYSA-N" . "InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1" . "COCCNCCc1cccc(c1)Nc1ncc2c(n1)c1ccccc1C(C2)c1ccccc1F" . "COCCNCCc1cccc(c1)Nc1ncc2c(n1)c1ccccc1[C@@H](C2)c1ccccc1F" . "KPJDVVCDVBFRMU-AREMUKBSSA-N" . "InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1" . "CC(CN(C1CCN(CC1)c1[nH]nc(n1)N)CCc1ccc(cc1)Cl)C" . "CC(CN(C1CCN(CC1)c1[nH]nc(n1)N)CCc1ccc(cc1)Cl)C" . "BADSWYIEDNZIEB-UHFFFAOYSA-N" . "InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)" . "Fc1ccc2c(c1)c(C)c(s2)S(=O)(=O)Nc1ccc(cc1S(=O)(=O)C)c1scc(n1)C(=O)O" . "Fc1ccc2c(c1)c(C)c(s2)S(=O)(=O)Nc1ccc(cc1S(=O)(=O)C)c1scc(n1)C(=O)O" . "CBRCULCCRGSSLB-UHFFFAOYSA-N" . "InChI=1S/C20H15FN2O6S4/c1-10-13-8-12(21)4-6-16(13)31-20(10)33(28,29)23-14-5-3-11(7-17(14)32(2,26)27)18-22-15(9-30-18)19(24)25/h3-9,23H,1-2H3,(H,24,25)" . "CCOc1ccccc1C(=O)NCc1coc(n1)c1ccc(c(c1)OC(C)C)OC(F)F" . "CCOc1ccccc1C(=O)NCc1coc(n1)c1ccc(c(c1)OC(C)C)OC(F)F" . "VFBILHPIHUPBPZ-UHFFFAOYSA-N" . "InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)" . "CCCCCC=CCC=CCC=CCCCCCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O" . "HOBAELRKJCKHQD-QNEBEIHSSA-N" . "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-" . "OC(=O)c1ccc(cc1)S(=O)(=O)N(c1ncc2c(c1C1CC1)cccc2)Cc1ccc(cc1)OC(F)(F)F" . "OC(=O)c1ccc(cc1)S(=O)(=O)N(c1ncc2c(c1C1CC1)cccc2)Cc1ccc(cc1)OC(F)(F)F" . "CWEFDWIKLABKBX-UHFFFAOYSA-N" . "InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)" . "OC(=O)CC(C(=O)O)Cl" . "OC(=O)C[C@@H](C(=O)O)Cl" . "QEGKXSHUKXMDRW-REOHCLBHSA-N" . "InChI=1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1" . "CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=CC1)C(=O)O)(C)C)(C)C" . "CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C(=O)O)(C)C)(C)C" . "YCHYFHOSGQABSW-RTBURBONSA-N" . "InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)C" . "CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)C" . "GAKUNXBDVGLOFS-UHFFFAOYSA-N" . "InChI=1S/C39H70O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,37H,4-11,13,15-17,20-35H2,1-3H3" . "CCN(C(=O)COC(=O)C=CC(=O)OC)CC" . "CCN(C(=O)COC(=O)/C=C/C(=O)OC)CC" . "AKUGRXRLHCCENI-VOTSOKGWSA-N" . "InChI=1S/C11H17NO5/c1-4-12(5-2)9(13)8-17-11(15)7-6-10(14)16-3/h6-7H,4-5,8H2,1-3H3/b7-6+" . "CN(CCNS(=O)(=O)Cc1cccc(c1)Nc1nccc(n1)Oc1ccc2c(c1)cc([nH]2)C)C" . "CN(CCNS(=O)(=O)Cc1cccc(c1)Nc1nccc(n1)Oc1ccc2c(c1)cc([nH]2)C)C" . "TTZSNFLLYPYKIL-UHFFFAOYSA-N" . "InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)" . "COCCNc1cc(ncc1C#N)NC(=O)N1CCCc2c1nc(C=O)c(c2)CN1CCN(CC1=O)C" . "COCCNc1cc(ncc1C#N)NC(=O)N1CCCc2c1nc(C=O)c(c2)CN1CCN(CC1=O)C" . "BHKDKKZMPODMIQ-UHFFFAOYSA-N" . "InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)" . "CCN1C(=O)N(Cc2c1c1cc([nH]c1nc2)CN1CCOCC1)c1c(F)c(OC)cc(c1F)OC" . "CCN1C(=O)N(Cc2c1c1cc([nH]c1nc2)CN1CCOCC1)c1c(F)c(OC)cc(c1F)OC" . "HCDMJFOHIXMBOV-UHFFFAOYSA-N" . "InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)" . "COc1ccc(nn1)C(c1cc(c(cc1Cl)F)c1ncnc2c1ccc(c2)N1CCOCC1)O" . "COc1ccc(nn1)[C@H](c1cc(c(cc1Cl)F)c1ncnc2c1ccc(c2)N1CCOCC1)O" . "MOWXJLUYGFNTAL-DEOSSOPVSA-N" . "InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1" . "COc1nc(F)cnc1NS(=O)(=O)c1cccc(c1Cl)Cl" . "COc1nc(F)cnc1NS(=O)(=O)c1cccc(c1Cl)Cl" . "NWSUDJQTTGDPIR-UHFFFAOYSA-N" . "InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)" . "C=CC(=O)NC1CN(CC1F)c1nc(Nc2cn(nc2OC)C)c2c(n1)n(C)cn2" . "C=CC(=O)N[C@@H]1CN(C[C@H]1F)c1nc(Nc2cn(nc2OC)C)c2c(n1)n(C)cn2" . "JYIUNVOCEFIUIU-GHMZBOCLSA-N" . "InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1" . "Nc1cncc(n1)c1cn2ccnc2c(n1)Nc1ccc(cc1)N1CCN(CC1)C1COC1" . "Nc1cncc(n1)c1cn2ccnc2c(n1)Nc1ccc(cc1)N1CCN(CC1)C1COC1" . "XCIGZBVOUQVIPI-UHFFFAOYSA-N" . "InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)" . "OC(=O)c1c2ccccc2cc2c1cccc2" . "OC(=O)c1c2ccccc2cc2c1cccc2" . "XGWFJBFNAQHLEF-UHFFFAOYSA-N" . "InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)" . "COc1cc(ccc1Nc1nc2NCCc2c(n1)Nc1ccccc1S(=O)(=O)NC(C)C)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1nc2NCCc2c(n1)Nc1ccccc1S(=O)(=O)NC(C)C)N1CCC(CC1)N1CCN(CC1)C" . "NPJCURIANJMFEO-UHFFFAOYSA-N" . "InChI=1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)" . "OC(=O)C1CCC(CC1)CC(=O)N1CCc2c(C1)n(Cc1ccc(cc1F)Cl)c1c2cccn1" . "OC(=O)[C@@H]1CC[C@H](CC1)CC(=O)N1CCc2c(C1)n(Cc1ccc(cc1F)Cl)c1c2cccn1" . "RKUKGCKNRLOSDX-QAQDUYKDSA-N" . "InChI=1S/C26H27ClFN3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-" . "N#CC(=CC(N(C1COC1)C)(C)C)C(=O)N1CCCC1Cn1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "N#C/C(=C/C(N(C1COC1)C)(C)C)/C(=O)N1CCC[C@H]1Cn1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "YELZMARZEBVKBL-VAZXNAHHSA-N" . "InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(41)17-42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/b21-15+/t22-/m0/s1" . "Ic1cccc(c1)C(=O)NC1C=CC2C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O" . "Ic1cccc(c1)C(=O)N[C@@H]1C=CC2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O" . "WTIFKSFIQUZRRN-FMDQGZFPSA-N" . "InChI=1S/C27H27IN2O3/c28-18-3-1-2-17(12-18)26(32)29-20-8-7-19-21-13-16-6-9-22(31)24-23(16)27(19,25(20)33-24)10-11-30(21)14-15-4-5-15/h1-3,6-9,12,15,19-21,25,31H,4-5,10-11,13-14H2,(H,29,32)/t19?,20-,21-,25+,27+/m1/s1" . "CC(C(=O)O)C(=O)O" . "CC(C(=O)O)C(=O)O" . "ZIYVHBGGAOATLY-UHFFFAOYSA-N" . "InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)" . "CCCCCC=CCC(C(C1CC1)C(C=CCC=CCCCC(=O)OC)O)C1CC1" . "CCCCC/C=C/CC(C(C1CC1)[C@H](/C=C/C/C=C/CCCC(=O)OC)O)C1CC1" . "ODNVBPFEZJHAAU-OBNWJGEWSA-N" . "InChI=1S/C27H44O3/c1-3-4-5-6-9-12-15-24(22-18-19-22)27(23-20-21-23)25(28)16-13-10-7-8-11-14-17-26(29)30-2/h7-9,12-13,16,22-25,27-28H,3-6,10-11,14-15,17-21H2,1-2H3/b8-7-,12-9-,16-13-/t24?,25-,27?/m0/s1" . "NCC(=CF)CCc1ccc(cc1)F" . "NC/C(=C/F)/CCc1ccc(cc1)F" . "VXLBSYHAEKDUSU-JXMROGBWSA-N" . "InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+" . "NCC(=CF)COc1ccc(cc1)S(=O)(=O)N" . "NC/C(=C/F)/COc1ccc(cc1)S(=O)(=O)N" . "GJRSZKOPZAJCGZ-VMPITWQZSA-N" . "InChI=1S/C10H13FN2O3S/c11-5-8(6-12)7-16-9-1-3-10(4-2-9)17(13,14)15/h1-5H,6-7,12H2,(H2,13,14,15)/b8-5+" . "C=CC(=O)N1CCC(CC1)CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N" . "C=CC(=O)N1CCC(CC1)CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N" . "QUIWHXQETADMGN-UHFFFAOYSA-N" . "InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)" . "CN1C(=O)C(NC1=O)Cc1c[nH]c2c1cccc2Cl" . "CN1C(=O)C(NC1=O)Cc1c[nH]c2c1cccc2Cl" . "WIKGAEMMNQTUGL-UHFFFAOYSA-N" . "InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)" . "S=C1NC(C(=O)N1C)Cc1c[nH]c2c1cccc2" . "S=C1NC(C(=O)N1C)Cc1c[nH]c2c1cccc2" . "TXUWMXQFNYDOEZ-UHFFFAOYSA-N" . "InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)" . "COc1cc2OC(O)(CC(=O)c2c(c1)O)c1ccc(cc1)OCc1ccccc1" . "COc1cc2OC(O)(CC(=O)c2c(c1)O)c1ccc(cc1)OCc1ccccc1" . "OUAZLWHOOTXVCE-UHFFFAOYSA-N" . "InChI=1S/C23H20O6/c1-27-18-11-19(24)22-20(25)13-23(26,29-21(22)12-18)16-7-9-17(10-8-16)28-14-15-5-3-2-4-6-15/h2-12,24,26H,13-14H2,1H3" . "O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OCc1ccccc1C)C1=C(O2)CC(CC1=O)(C)C" . "O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OCc1ccccc1C)C1=C(O2)CC(CC1=O)(C)C" . "UEKIYVKPQNKSDI-UHFFFAOYSA-N" . "InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3" . "Cc1cccc(c1)Oc1cnc(=O)[nH]c1" . "Cc1cccc(c1)Oc1cnc(=O)[nH]c1" . "HJQILFPVRNHTIG-UHFFFAOYSA-N" . "InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)" . "CNC(=O)CC1C(=O)N(c2c1cccc2)C1CCN(CC1)C1CCC(CC1)C(C)C" . "CNC(=O)CC1C(=O)N(c2c1cccc2)C1CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C" . "IGSSUIQLZJANKJ-QIDMFYOTSA-N" . "InChI=1S/C25H37N3O2/c1-17(2)18-8-10-19(11-9-18)27-14-12-20(13-15-27)28-23-7-5-4-6-21(23)22(25(28)30)16-24(29)26-3/h4-7,17-20,22H,8-16H2,1-3H3,(H,26,29)/t18-,19+,22?" . "CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c(nc1c1ccccc1)c1ccccc1" . "CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c(nc1c1ccccc1)c1ccccc1" . "ITACCRHKSPSKKL-UHFFFAOYSA-N" . "InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3" . "O=CNC(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2" . "O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2" . "UJVDJAPJQWZRFR-DHIUTWEWSA-N" . "InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1" . "N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl" . "N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl" . "RVGLGHVJXCETIO-UHFFFAOYSA-N" . "InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)" . "COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O" . "COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O" . "GDUANFXPOZTYKS-UHFFFAOYSA-N" . "InChI=1S/C18H10BrF2NO6/c1-27-8-4-10(20)15(11(21)5-8)17(24)22-12-3-7(19)2-9-13(23)6-14(18(25)26)28-16(9)12/h2-6H,1H3,(H,22,24)(H,25,26)" . "COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F" . "COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F" . "CYNLZIBKERMMOA-UHFFFAOYSA-N" . "InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)" . "CCc1nc(N)nc(c1OCCCOc1ccccc1CCC(=O)O)N" . "CCc1nc(N)nc(c1OCCCOc1ccccc1CCC(=O)O)N" . "VDGXZSSDCDPCRF-UHFFFAOYSA-N" . "InChI=1S/C18H24N4O4/c1-2-13-16(17(19)22-18(20)21-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(23)24/h3-4,6-7H,2,5,8-11H2,1H3,(H,23,24)(H4,19,20,21,22)" . "O=CN(CCCP(=O)(O)O)O" . "O=CN(CCCP(=O)(O)O)O" . "GJXWDTUCERCKIX-UHFFFAOYSA-N" . "InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)" . "COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O" . "COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O" . "OBBCRPUNCUPUOS-UHFFFAOYSA-N" . "InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3" . "OC(=O)C1CC1C(=O)O" . "OC(=O)[C@@H]1C[C@@H]1C(=O)O" . "RLWFMZKPPHHHCB-WSOKHJQSSA-N" . "InChI=1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3+" . "Fc1ccc2c(c1)c(cc(n2)c1ccc(cc1)CN1CCOCC1)C(=O)NCCN1CCCC1" . "Fc1ccc2c(c1)c(cc(n2)c1ccc(cc1)CN1CCOCC1)C(=O)NCCN1CCCC1" . "BENUHBSJOJMZEE-UHFFFAOYSA-N" . "InChI=1S/C27H31FN4O2/c28-22-7-8-25-23(17-22)24(27(33)29-9-12-31-10-1-2-11-31)18-26(30-25)21-5-3-20(4-6-21)19-32-13-15-34-16-14-32/h3-8,17-18H,1-2,9-16,19H2,(H,29,33)" . "O=CNc1coc2c(c1=O)cc(c(c2)NS(=O)(=O)C)Oc1ccccc1" . "O=CNc1coc2c(c1=O)cc(c(c2)NS(=O)(=O)C)Oc1ccccc1" . "ANMATWQYLIFGOK-UHFFFAOYSA-N" . "InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)" . "NCCCNCCCCNCCCNC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(C(C)C)OS(=O)(=O)O)C)C)O)C" . "NCCCNCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C" . "WUJVPODXELZABP-FWJXURDUSA-N" . "InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1" . "CC(OCc1cc(O)c(c(c1Cc1cc(O)c(c(c1Br)Br)O)Br)O)C" . "CC(OCc1cc(O)c(c(c1Cc1cc(O)c(c(c1Br)Br)O)Br)O)C" . "ZBDKXZCSKUHAPY-UHFFFAOYSA-N" . "InChI=1S/C17H17Br3O5/c1-7(2)25-6-9-5-12(22)16(23)14(19)10(9)3-8-4-11(21)17(24)15(20)13(8)18/h4-5,7,21-24H,3,6H2,1-2H3" . "OCC(=O)C1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)OC(=O)c1ccccc1" . "OCC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)OC(=O)c1ccccc1" . "LPEYMYDYPGRLBU-YGZHYJPASA-N" . "InChI=1S/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,26-,27-,28-/m0/s1" . "O=C(c1cnc2c(c1)CC1(C2)C(=O)Nc2c1cccn2)NC1CC(C(N(C1=O)CC(F)(F)F)C)c1c(F)ccc(c1F)F" . "O=C(c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2)N[C@H]1C[C@H]([C@H](N(C1=O)CC(F)(F)F)C)c1c(F)ccc(c1F)F" . "QIVUCLWGARAQIO-OLIXTKCUSA-N" . "InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1" . "Fc1cccc(c1)c1c(nc2n(c1=O)c(C)cs2)C(Nc1ncnc2c1nc[nH]2)C" . "Fc1cccc(c1)c1c(nc2n(c1=O)c(C)cs2)[C@@H](Nc1ncnc2c1nc[nH]2)C" . "RSIWALKZYXPAGW-NSHDSACASA-N" . "InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1" . "OCC(CCc1ccc(cc1Cl)Sc1cccc(c1)OCc1ccccc1)(CO)N" . "OCC(CCc1ccc(cc1Cl)Sc1cccc(c1)OCc1ccccc1)(CO)N" . "IINUNQPYJGJCJI-UHFFFAOYSA-N" . "InChI=1S/C24H26ClNO3S/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18/h1-10,13-14,27-28H,11-12,15-17,26H2" . "Nc1ncc(cc1c1ccc(nc1)C(F)(F)F)c1ccc(cc1)S(=O)(=O)C" . "Nc1ncc(cc1c1ccc(nc1)C(F)(F)F)c1ccc(cc1)S(=O)(=O)C" . "RTJQABCNNLMCJF-UHFFFAOYSA-N" . "InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)" . "OC(=O)c1cc(F)c2c(c1)sc(n2)N1C2CCC1CC(C2)OCc1c(onc1c1ccccc1OC(F)(F)F)C1CC1" . "OC(=O)c1cc(F)c2c(c1)sc(n2)N1[C@@H]2CC[C@H]1C[C@H](C2)OCc1c(onc1c1ccccc1OC(F)(F)F)C1CC1" . "VYLOOGHLKSNNEK-PIIMJCKOSA-N" . "InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)N)(C)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCC(=O)O)Cc1ccccc1)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](Cc1[nH]cnc1)N)(C)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCC(=O)O)Cc1ccccc1)C" . "DLSWIYLPEUIQAV-CCUURXOWSA-N" . "InChI=1S/C187H291N45O59/c1-18-105(10)154(180(282)208-108(13)159(261)216-133(86-114-89-200-119-50-40-39-49-117(114)119)170(272)218-129(82-102(4)5)171(273)228-152(103(6)7)178(280)215-121(53-44-72-199-186(192)193)162(264)201-91-141(242)209-120(52-43-71-198-185(190)191)161(263)204-94-151(257)258)230-172(274)131(83-111-45-33-31-34-46-111)219-167(269)126(64-69-149(253)254)214-166(268)122(51-41-42-70-195-144(245)98-290-79-78-289-76-74-197-145(246)99-291-80-77-288-75-73-196-139(240)66-61-127(183(285)286)211-140(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-146(247)248)212-158(260)107(12)206-157(259)106(11)207-165(267)125(60-65-138(189)239)210-142(243)92-202-163(265)123(62-67-147(249)250)213-168(270)128(81-101(2)3)217-169(271)130(85-113-56-58-116(238)59-57-113)220-175(277)135(95-233)223-177(279)137(97-235)224-179(281)153(104(8)9)229-174(276)134(88-150(255)256)221-176(278)136(96-234)225-182(284)156(110(15)237)231-173(275)132(84-112-47-35-32-36-48-112)222-181(283)155(109(14)236)227-143(244)93-203-164(266)124(63-68-148(251)252)226-184(287)187(16,17)232-160(262)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,245)(H,196,240)(H,197,246)(H,201,264)(H,202,265)(H,203,266)(H,204,263)(H,206,259)(H,207,267)(H,208,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1" . "N#Cc1cc(ccc1F)NC(=O)C1c2ccccc2C(=O)N(C1c1cccnc1)CC(F)(F)F" . "N#Cc1cc(ccc1F)NC(=O)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cccnc1)CC(F)(F)F" . "VKCPFWKTFZAOTO-LEWJYISDSA-N" . "InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1" . "NCCCC(Nc1cc(OC)c(c2c1nc(OC)cc2C)Oc1cccc(c1)C(F)(F)F)C" . "NCCCC(Nc1cc(OC)c(c2c1nc(OC)cc2C)Oc1cccc(c1)C(F)(F)F)C" . "LBHLFPGPEGDCJG-UHFFFAOYSA-N" . "InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3" . "CC1Cc2c3cc(F)c(cc3[nH]c2C2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl" . "C[C@H]1Cc2c3cc(F)c(cc3[nH]c2[C@@]2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl" . "CKLPLPZSUQEDRT-WPCRTTGESA-N" . "InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1" . "OC(=O)C1OC1C(=O)O" . "OC(=O)[C@@H]1O[C@@H]1C(=O)O" . "DCEMCPAKSGRHCN-XIXRPRMCSA-N" . "InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+" . "Brc1ccc(cc1)CC1(C)N(C)C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl" . "Brc1ccc(cc1)C[C@@]1(C)N(C)C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl" . "FJNJHZQMQRVZEE-GOSISDBHSA-N" . "InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1" . "N#Cc1ccc(cc1)CC1(C)C(=O)N(c2n1c(cn2)C(=O)NC(C(=O)NC1(CC1)c1ccccn1)C)c1cc(Cl)c(c(c1)Cl)F" . "N#Cc1ccc(cc1)C[C@]1(C)C(=O)N(c2n1c(cn2)C(=O)N[C@H](C(=O)NC1(CC1)c1ccccn1)C)c1cc(Cl)c(c(c1)Cl)F" . "JZTTUZXIQIRVAB-FZEVHQGJSA-N" . "InChI=1S/C32H26Cl2FN7O3/c1-18(27(43)40-32(10-11-32)25-5-3-4-12-37-25)39-28(44)24-17-38-30-41(21-13-22(33)26(35)23(34)14-21)29(45)31(2,42(24)30)15-19-6-8-20(16-36)9-7-19/h3-9,12-14,17-18H,10-11,15H2,1-2H3,(H,39,44)(H,40,43)/t18-,31+/m0/s1" . "CNc1nc(NC2CCCC(C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)nc(n1)C" . "CNc1nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)nc(n1)C" . "LQHDJQIMETZMPH-ZBFHGGJFSA-N" . "InChI=1S/C21H24F3N7O/c1-12-28-19(26-2)31-20(29-12)30-16-5-3-4-14(9-16)18(32)27-11-15-7-6-13(10-25)8-17(15)21(22,23)24/h6-8,14,16H,3-5,9,11H2,1-2H3,(H,27,32)(H2,26,28,29,30,31)/t14-,16+/m1/s1" . "CCOCCn1cc(ccc1=O)C(=O)Nc1ccc(cn1)n1nc(cc1C(F)(F)F)c1cccnc1" . "CCOCCn1cc(ccc1=O)C(=O)Nc1ccc(cn1)n1nc(cc1C(F)(F)F)c1cccnc1" . "KMESAVNRPDKZCQ-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N6O3/c1-2-36-11-10-32-15-17(5-8-22(32)34)23(35)30-21-7-6-18(14-29-21)33-20(24(25,26)27)12-19(31-33)16-4-3-9-28-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,29,30,35)" . "O=C(N(C)C)Cn1ncc(c1)c1onc(n1)C(c1ccc(cc1)c1cnc(nc1)N)(C1CC1)C" . "O=C(N(C)C)Cn1ncc(c1)c1onc(n1)C(c1ccc(cc1)c1cnc(nc1)N)(C1CC1)C" . "QGPXEIMWTKWHMH-UHFFFAOYSA-N" . "InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)" . "CCS(=O)(=O)c1ncc2c(c1)cc([nH]2)CC(C(F)(F)F)(CC(c1ccc(cc1C(=O)N)F)(C)C)O" . "CCS(=O)(=O)c1ncc2c(c1)cc([nH]2)C[C@@](C(F)(F)F)(CC(c1ccc(cc1C(=O)N)F)(C)C)O" . "AUIFRJWXYUNPPV-QFIPXVFZSA-N" . "InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/m0/s1" . "N#Cc1cccn1CCC(C(=O)N1CCC(CC1)C)NS(=O)(=O)c1cccc2c1cc[nH]2" . "N#Cc1cccn1CC[C@H](C(=O)N1CCC(CC1)C)NS(=O)(=O)c1cccc2c1cc[nH]2" . "BRJXJOWXAFLRTE-OAQYLSRUSA-N" . "InChI=1S/C23H27N5O3S/c1-17-8-13-28(14-9-17)23(29)21(10-15-27-12-3-4-18(27)16-24)26-32(30,31)22-6-2-5-20-19(22)7-11-25-20/h2-7,11-12,17,21,25-26H,8-10,13-15H2,1H3/t21-/m1/s1" . "CC(Nc1ccnc(n1)Nc1cccc(c1)c1cccnc1)C" . "CC(Nc1ccnc(n1)Nc1cccc(c1)c1cccnc1)C" . "JTFUPGNZUPRHCZ-UHFFFAOYSA-N" . "InChI=1S/C18H19N5/c1-13(2)21-17-8-10-20-18(23-17)22-16-7-3-5-14(11-16)15-6-4-9-19-12-15/h3-13H,1-2H3,(H2,20,21,22,23)" . "C#CC1(O)CCC2C1(C)CCC1C2C(C)CC2=C1CCC(=O)C2" . "C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](C)CC2=C1CCC(=O)C2" . "WZDGZWOAQTVYBX-XOINTXKNSA-N" . "InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1" . "COc1ccc(cc1)S(=O)(=O)N(c1ccc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O" . "COc1ccc(cc1)S(=O)(=O)N(c1ccc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O" . "KWSIQJUNYMMCTB-UHFFFAOYSA-N" . "InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)" . "Fc1ccc(cc1C)n1c(=O)ccc2c1c1cc[nH]c1nc2" . "Fc1ccc(cc1C)n1c(=O)ccc2c1c1cc[nH]c1nc2" . "WQNRDXHKVSKUPI-UHFFFAOYSA-N" . "InChI=1S/C17H12FN3O/c1-10-8-12(3-4-14(10)18)21-15(22)5-2-11-9-20-17-13(16(11)21)6-7-19-17/h2-9H,1H3,(H,19,20)" . "O=C(C1CCN(CC1)c1nc2c(n1C(C)C)cc(c(c2)C)C)NC1CCCC1" . "O=C(C1CCN(CC1)c1nc2c(n1C(C)C)cc(c(c2)C)C)NC1CCCC1" . "FPPVJOTXZIRXTF-UHFFFAOYSA-N" . "InChI=1S/C23H34N4O/c1-15(2)27-21-14-17(4)16(3)13-20(21)25-23(27)26-11-9-18(10-12-26)22(28)24-19-7-5-6-8-19/h13-15,18-19H,5-12H2,1-4H3,(H,24,28)" . "FC(c1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=NC1=O)Nc1ccccc1)(F)F" . "FC(c1ccc(cc1)n1c(C)cc(c1C)/C=C/1/SC(=NC1=O)Nc1ccccc1)(F)F" . "YBBWTVGRVHTTDD-MOSHPQCFSA-N" . "InChI=1S/C23H18F3N3OS/c1-14-12-16(15(2)29(14)19-10-8-17(9-11-19)23(24,25)26)13-20-21(30)28-22(31-20)27-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,27,28,30)/b20-13-" . "Clc1ccc(cc1)NC(=O)C(C1CCC(CC1)c1ccnc2c1cc(F)cc2)C" . "Clc1ccc(cc1)NC(=O)[C@@H](C1CCC(CC1)c1ccnc2c1cc(F)cc2)C" . "KRTIYQIPSAGSBP-KLAILNCOSA-N" . "InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1" . "CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "JDNLPKCAXICMBW-UHFFFAOYSA-N" . "InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3" . "FCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "FCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "ALQFAGFPQCBPED-UHFFFAOYSA-N" . "InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2" . "COc1ccc(cc1OC)C(=O)Nc1cc(ccc1n1ncnc1)OC(F)(F)F" . "COc1ccc(cc1OC)C(=O)Nc1cc(ccc1n1ncnc1)OC(F)(F)F" . "YCDOKDADFOBKIL-UHFFFAOYSA-N" . "InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)" . "ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C" . "ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C" . "GOVYBPLHWIEHEJ-UHFFFAOYSA-N" . "InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)" . "OC(=O)C(CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N" . "OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N" . "QOVYHDHLFPKQQG-NDEPHWFRSA-N" . "InChI=1S/C33H51N11O3/c34-28(32(46)47)12-13-30(45)43-20-14-25(15-21-43)38-31-27-10-4-5-11-29(27)39-33(40-31)37-22-26-23-44(42-41-26)19-7-17-35-16-6-18-36-24-8-2-1-3-9-24/h4-5,10-11,23-25,28,35-36H,1-3,6-9,12-22,34H2,(H,46,47)(H2,37,38,39,40)/t28-/m0/s1" . "COCCn1ncc(c1)Nc1ncc(c(n1)Oc1ccccc1NC(=O)C=C)Cl" . "COCCn1ncc(c1)Nc1ncc(c(n1)Oc1ccccc1NC(=O)C=C)Cl" . "ORBLOJJZDLUQDF-UHFFFAOYSA-N" . "InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)" . "C=CC(=O)Nc1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1)N1CCN(CC1)C" . "C=CC(=O)Nc1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1)N1CCN(CC1)C" . "SCMLGVPMSXTUNC-UHFFFAOYSA-N" . "InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)" . "O=C(NCc1ccc(cc1)C(=O)N)NCC1OCCN(C1)Cc1ccc(c(c1)Cl)Cl" . "O=C(NCc1ccc(cc1)C(=O)N)NC[C@H]1OCCN(C1)Cc1ccc(c(c1)Cl)Cl" . "GPLUUMAKBFSDIE-QGZVFWFLSA-N" . "InChI=1S/C21H24Cl2N4O3/c22-18-6-3-15(9-19(18)23)12-27-7-8-30-17(13-27)11-26-21(29)25-10-14-1-4-16(5-2-14)20(24)28/h1-6,9,17H,7-8,10-13H2,(H2,24,28)(H2,25,26,29)/t17-/m1/s1" . "OCCN1CCN(CC1)C1CCCc2c(C1)ccc(c2OC)Nc1ncc(c(n1)Nc1ccccc1C(=O)NC)Cl" . "OCCN1CCN(CC1)[C@H]1CCCc2c(C1)ccc(c2OC)Nc1ncc(c(n1)Nc1ccccc1C(=O)NC)Cl" . "BCSHRERPHLTPEE-NRFANRHFSA-N" . "InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1" . "O=C(C1CC1)Nc1nn2c(n1)cccc2c1ccc(cc1)C(=O)N1CC(C1)(C)C" . "O=C(C1CC1)Nc1nn2c(n1)cccc2c1ccc(cc1)C(=O)N1CC(C1)(C)C" . "MPYACSQFXVMWNO-UHFFFAOYSA-N" . "InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)" . "CNS(=O)(=O)CC1CCC(CC1)N(c1[nH]cnc2c1ccn2)C" . "CNS(=O)(=O)C[C@@H]1CC[C@H](CC1)N(c1[nH]cnc2c1ccn2)C" . "HJWLJNBZVZDLAQ-HAQNSBGRSA-N" . "InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-" . "Clc1ccc(cc1)C1CCC(CC1)C1=C(O)C(=O)c2c(C1=O)cccc2" . "Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2" . "KUCQYCKVKVOKAY-CTYIDZIISA-N" . "InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-" . "Clc1ccc(c(c1)Cl)CNC1CCN(C1)c1ncc(cn1)Br" . "Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br" . "PXQNLQLMRMROSB-ZDUSSCGKSA-N" . "InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1" . "COc1cc(ccc1OC)c1nc(Nc2ncccc2C(=O)N)n2c(c1)ncc2" . "COc1cc(ccc1OC)c1nc(Nc2ncccc2C(=O)N)n2c(c1)ncc2" . "JWQOJVOKBAAAAR-UHFFFAOYSA-N" . "InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)" . "COC(=O)c1ccc2c(c1)NC(=O)C2=C(c1ccccc1)Nc1ccc2c(c1)CCN2C(=O)CN1CCOCC1" . "COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)/Nc1ccc2c(c1)CCN2C(=O)CN1CCOCC1" . "JVDJHTYIWQIOCA-ZIADKAODSA-N" . "InChI=1S/C31H30N4O5/c1-39-31(38)22-7-9-24-25(18-22)33-30(37)28(24)29(20-5-3-2-4-6-20)32-23-8-10-26-21(17-23)11-12-35(26)27(36)19-34-13-15-40-16-14-34/h2-10,17-18,32H,11-16,19H2,1H3,(H,33,37)/b29-28-" . "NCCn1c(CCCC)nc2c1c1ccc(cc1nc2N)C(=O)OC" . "NCCn1c(CCCC)nc2c1c1ccc(cc1nc2N)C(=O)OC" . "ZYCFMHCDZSVIGF-UHFFFAOYSA-N" . "InChI=1S/C18H23N5O2/c1-3-4-5-14-22-15-16(23(14)9-8-19)12-7-6-11(18(24)25-2)10-13(12)21-17(15)20/h6-7,10H,3-5,8-9,19H2,1-2H3,(H2,20,21)" . "COc1ccc(cn1)C(N1CCN(C1=O)CCCc1ccc2c(n1)NCCC2)CC(=O)O" . "COc1ccc(cn1)[C@@H](N1CCN(C1=O)CCCc1ccc2c(n1)NCCC2)CC(=O)O" . "HGFOOLONGOBCMP-IBGZPJMESA-N" . "InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1" . "OC(=O)C=CC(=O)O" . "OC(=O)/C=C/C(=O)O" . "VZCYOOQTPOCHFL-UPHRSURJSA-N" . "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-" . "CCOc1cc2ncc(n2cc1S(=O)(=O)C(C)(C)C)c1cc(N)nc(c1)F" . "CCOc1cc2ncc(n2cc1S(=O)(=O)C(C)(C)C)c1cc(N)nc(c1)F" . "QWDMZDSZMVJFFJ-UHFFFAOYSA-N" . "InChI=1S/C18H21FN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22)" . "CNC(=O)C(C(C)(C)C)NC(=O)C(C(N(C=O)O)C)CCCc1ccccc1" . "CNC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]([C@@H](N(C=O)O)C)CCCc1ccccc1" . "GHVMTHKJUAOZJP-CGTJXYLNSA-N" . "InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1" . "CC(c1c(O)cc(cc1O)C=Cc1ccccc1)C" . "CC(c1c(O)cc(cc1O)/C=C/c1ccccc1)C" . "ZISJNXNHJRQYJO-CMDGGOBGSA-N" . "InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+" . "Clc1ccc(cc1)C(=O)n1c2ccc(cc2c2c1CCCC2=O)S(=O)(=O)C" . "Clc1ccc(cc1)C(=O)n1c2ccc(cc2c2c1CCCC2=O)S(=O)(=O)C" . "MITGKKFYIJJQGL-UHFFFAOYSA-N" . "InChI=1S/C20H16ClNO4S/c1-27(25,26)14-9-10-16-15(11-14)19-17(3-2-4-18(19)23)22(16)20(24)12-5-7-13(21)8-6-12/h5-11H,2-4H2,1H3" . "COc1ccc(cc1)CCNCC(P(=O)(O)O)N" . "COc1ccc(cc1)CCNCC(P(=O)(O)O)N" . "HFIVLLBFACNAFN-UHFFFAOYSA-N" . "InChI=1S/C11H19N2O4P/c1-17-10-4-2-9(3-5-10)6-7-13-8-11(12)18(14,15)16/h2-5,11,13H,6-8,12H2,1H3,(H2,14,15,16)" . "OC(=O)C(CP(=O)(C(CCc1ccc(cc1)[N+](=O)[O-])N)O)Cc1ccccc1" . "OC(=O)C(CP(=O)(C(CCc1ccc(cc1)[N+](=O)[O-])N)O)Cc1ccccc1" . "YSYQXQQIKOEBNN-UHFFFAOYSA-N" . "InChI=1S/C19H23N2O6P/c20-18(11-8-14-6-9-17(10-7-14)21(24)25)28(26,27)13-16(19(22)23)12-15-4-2-1-3-5-15/h1-7,9-10,16,18H,8,11-13,20H2,(H,22,23)(H,26,27)" . "C1CCC(CC1)Nc1nccc(c1)c1cc2cnccc2c(n1)N1CCNCC1" . "C1CCC(CC1)Nc1nccc(c1)c1cc2cnccc2c(n1)N1CCNCC1" . "DIZACSOTRSXCHC-UHFFFAOYSA-N" . "InChI=1S/C23H28N6/c1-2-4-19(5-3-1)27-22-15-17(6-9-26-22)21-14-18-16-25-8-7-20(18)23(28-21)29-12-10-24-11-13-29/h6-9,14-16,19,24H,1-5,10-13H2,(H,26,27)" . "COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl" . "COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl" . "FLSMVCMSUNISFK-UHFFFAOYSA-N" . "InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)" . "OCC(C(=O)NC(C(=O)O)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CCC(=O)O)CCC(=O)N)CC(C)C)CCC(=O)O)CCCN=C(N)N)C)CC(C)C)CC(=O)N" . "OC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)O)CCC(=O)N)CC(C)C)CCC(=O)O)CCCN=C(N)N)C)CC(C)C)CC(=O)N" . "WZTIQQBMSJTRBR-WYKNNRPVSA-N" . "InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1" . "CC(N=C(/N=C(/Nc1ccc(cc1)Cl)/N)N)C" . "CC(N=C(/N=C(/Nc1ccc(cc1)Cl)/N)N)C" . "SSOLNOMRVKKSON-UHFFFAOYSA-N" . "InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)" . "OCC1(C)C(O)CCC2(C1CCC(=C)C2CC=C1C(O)COC1=O)C" . "OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1/[C@H](O)COC1=O)C" . "BOJKULTULYSRAS-OTESTREVSA-N" . "InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1" . "O=C(N1CCN(CC1)Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)Cl" . "O=C(N1CCN(CC1)Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)Cl" . "QTYHUADZOPIUME-UHFFFAOYSA-N" . "InChI=1S/C26H28ClN3O3S/c1-21-24(27)13-8-14-25(21)30(34(32,33)23-11-6-3-7-12-23)20-26(31)29-17-15-28(16-18-29)19-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3" . "OC(=O)CCN1C(=S)SC(=C2C(=O)NC3C2C=C(Cl)C=C3)C1=O" . "OC(=O)CCN1C(=S)S/C(=C/2/C(=O)NC3C2C=C(Cl)C=C3)/C1=O" . "NLLDCQPHRJHMSX-KHPPLWFESA-N" . "InChI=1S/C14H11ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5,7-8H,3-4H2,(H,16,20)(H,18,19)/b11-10-" . "O=C(c1ccncc1)C=Cc1ccc2c(n1)cccc2" . "O=C(c1ccncc1)C=Cc1ccc2c(n1)cccc2" . "UJJUKZPBUMCSJZ-UHFFFAOYSA-N" . "InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H" . "O=C1CCc2c(N1)ccc(c2)Nc1cc(OC2CCOCC2)c(cc1Cl)[N+](=O)[O-]" . "O=C1CCc2c(N1)ccc(c2)Nc1cc(OC2CCOCC2)c(cc1Cl)[N+](=O)[O-]" . "RRELDGDKULRRDM-UHFFFAOYSA-N" . "InChI=1S/C20H20ClN3O5/c21-15-10-18(24(26)27)19(29-14-5-7-28-8-6-14)11-17(15)22-13-2-3-16-12(9-13)1-4-20(25)23-16/h2-3,9-11,14,22H,1,4-8H2,(H,23,25)" . "COc1ccc2c(c1)nc(nc2C)N=C(N)N" . "COc1ccc2c(c1)nc(nc2C)N=C(N)N" . "ZJBMSSBTCGJZEE-UHFFFAOYSA-N" . "InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)" . "Cc1ccc(cc1)C(=O)NNC(=NS(=O)(=O)c1ccc(cc1)n1nc(cc1c1cccs1)C(F)(F)F)N1CCCC1" . "Cc1ccc(cc1)C(=O)NN/C(=N/S(=O)(=O)c1ccc(cc1)n1nc(cc1c1cccs1)C(F)(F)F)/N1CCCC1" . "FPHDAMLVFFWTQL-UHFFFAOYSA-N" . "InChI=1S/C27H25F3N6O3S2/c1-18-6-8-19(9-7-18)25(37)31-32-26(35-14-2-3-15-35)34-41(38,39)21-12-10-20(11-13-21)36-22(23-5-4-16-40-23)17-24(33-36)27(28,29)30/h4-13,16-17H,2-3,14-15H2,1H3,(H,31,37)(H,32,34)" . "N#Cc1c(ccc2c1ccc1c2cccc1)Cc1cc(C#N)c2c(c1)c1ccccc1cc2" . "N#Cc1c(ccc2c1ccc1c2cccc1)Cc1cc(C#N)c2c(c1)c1ccccc1cc2" . "IXJJCXATJSXNJM-UHFFFAOYSA-N" . "InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2" . "CCC1C(COc2nccc3c2cc(OC)c(c3)C(=O)N)NC(=O)C1F" . "CC[C@H]1[C@@H](COc2nccc3c2cc(OC)c(c3)C(=O)N)NC(=O)[C@H]1F" . "JKDGKIBAOAFRPJ-ZBINZKHDSA-N" . "InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1" . "COc1cc2c(OCC3NC(=O)C(C3C)F)nccc2cc1C(=O)N" . "COc1cc2c(OC[C@H]3NC(=O)[C@H]([C@H]3C)F)nccc2cc1C(=O)N" . "GISRWBROCYNDME-PELMWDNLSA-N" . "InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1" . "ONC(=O)CCCCCCNC(=O)c1noc(c1)c1ccc(cc1)NC(=O)OC(C)(C)C" . "ONC(=O)CCCCCCNC(=O)c1noc(c1)c1ccc(cc1)NC(=O)OC(C)(C)C" . "WWGBHDIHIVGYLZ-UHFFFAOYSA-N" . "InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)" . "ONC(=O)CCCCCCN(c1ccccn1)c1ccccn1" . "ONC(=O)CCCCCCN(c1ccccn1)c1ccccn1" . "QKTORDWLHYWRJF-UHFFFAOYSA-N" . "InChI=1S/C17H22N4O2/c22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16/h4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22)" . "CCOc1cc2ncc(c(c2cc1NC(=O)C=CC1CCCN1C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N" . "CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/[C@H]1CCCN1C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N" . "SADXACCFNXBCFY-IYNHSRRRSA-N" . "InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1" . "OCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C" . "OCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C" . "LZLBRISQTJVZNP-UHFFFAOYSA-N" . "InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3" . "CC1CCC(S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1" . "C[C@H]1CC[C@@H](S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1" . "WLCIIQPUMOJJOF-MHECFPHRSA-N" . "InChI=1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1" . "Nc1nc(nc2c1nnn2CC1OCCN(C1)Cc1nccs1)C(F)(F)F" . "Nc1nc(nc2c1nnn2C[C@@H]1OCCN(C1)Cc1nccs1)C(F)(F)F" . "VNLPYEMGHGDRRZ-MRVPVSSYSA-N" . "InChI=1S/C14H15F3N8OS/c15-14(16,17)13-20-11(18)10-12(21-13)25(23-22-10)6-8-5-24(2-3-26-8)7-9-19-1-4-27-9/h1,4,8H,2-3,5-7H2,(H2,18,20,21)/t8-/m1/s1" . "CC1SCC2(O1)CN1CCC2CC1" . "CC1SCC2(O1)CN1CCC2CC1" . "WUTYZMFRCNBCHQ-UHFFFAOYSA-N" . "InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3" . "CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)cccc2OCC(=O)O" . "CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)cccc2OCC(=O)O" . "BHLXTPHDSZUFHR-UHFFFAOYSA-N" . "InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)" . "CCCn1c(=NC(=O)c2cccc(c2)C(=O)N)[nH]c2c1cccc2" . "CCCn1/c(=N/C(=O)c2cccc(c2)C(=O)N)/[nH]c2c1cccc2" . "UOZVVPXKJGOFIG-UHFFFAOYSA-N" . "InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)" . "Fc1cc2CCOc2c(c1)C(CC(C(F)(F)F)(CNc1cccc2c1ccc(n2)C)O)(C)C" . "Fc1cc2CCOc2c(c1)C(C[C@](C(F)(F)F)(CNc1cccc2c1ccc(n2)C)O)(C)C" . "VJGFOYBQOIPQFY-XMMPIXPASA-N" . "InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1" . "CCN(C(=O)c1c(Cl)cccc1Cl)CC(C(F)(F)F)(CNC(=O)c1cnn(c1N)c1ccc(cc1)F)O" . "CCN(C(=O)c1c(Cl)cccc1Cl)C[C@](C(F)(F)F)(CNC(=O)c1cnn(c1N)c1ccc(cc1)F)O" . "LKQMULLPLYLIGW-QFIPXVFZSA-N" . "InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)/t22-/m0/s1" . "Clc1nc2n[nH]nc2nc1Cl" . "Clc1nc2n[nH]nc2nc1Cl" . "RKHFIGLWZHVDCG-UHFFFAOYSA-N" . "InChI=1S/C4HCl2N5/c5-1-2(6)8-4-3(7-1)9-11-10-4/h(H,7,8,9,10,11)" . "COc1ccccc1Oc1c(OCCC(=O)Nc2c(C)cccc2C)nc(nc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1" . "COc1ccccc1Oc1c(OCCC(=O)Nc2c(C)cccc2C)nc(nc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1" . "MTNFANNLCUMCNB-UHFFFAOYSA-N" . "InChI=1S/C36H38N6O6S/c1-23-11-9-12-24(2)30(23)39-29(43)19-22-47-35-31(48-28-14-8-7-13-27(28)46-6)32(40-34(41-35)33-37-20-10-21-38-33)42-49(44,45)26-17-15-25(16-18-26)36(3,4)5/h7-18,20-21H,19,22H2,1-6H3,(H,39,43)(H,40,41,42)" . "O=C(c1ccc2c(c1)CCC1C2(CCC(C1)(O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C" . "O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C" . "QJJBNCHSWFGXML-KEKPKEOLSA-N" . "InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1" . "O=C(c1ccc2c(c1)CCC1C2(CCC(C1)(OP(=O)(O)O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C" . "O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(OP(=O)(O)O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C" . "BVXLAHSJXXSWFF-KEKPKEOLSA-N" . "InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1" . "OCC1N2CCCCN(CC2C1c1ccc(cc1)C#Cc1ccccc1)C(=O)Nc1ccc(cc1)OC" . "OC[C@H]1N2CCCCN(C[C@H]2[C@H]1c1ccc(cc1)C#Cc1ccccc1)C(=O)Nc1ccc(cc1)OC" . "OJOYTIQMDFICSJ-FRXPANAUSA-N" . "InChI=1S/C31H33N3O3/c1-37-27-17-15-26(16-18-27)32-31(36)33-19-5-6-20-34-28(21-33)30(29(34)22-35)25-13-11-24(12-14-25)10-9-23-7-3-2-4-8-23/h2-4,7-8,11-18,28-30,35H,5-6,19-22H2,1H3,(H,32,36)/t28-,29+,30+/m0/s1" . "Cn1nc(c(c1C)Cc1nnc(o1)c1sc2c(c1OC1CCNCC1)cccc2)C" . "Cn1nc(c(c1C)Cc1nnc(o1)c1sc2c(c1OC1CCNCC1)cccc2)C" . "XZORQADPEUSNQJ-UHFFFAOYSA-N" . "InChI=1S/C22H25N5O2S/c1-13-17(14(2)27(3)26-13)12-19-24-25-22(29-19)21-20(28-15-8-10-23-11-9-15)16-6-4-5-7-18(16)30-21/h4-7,15,23H,8-12H2,1-3H3" . "OCc1ccc(cc1)c1nc(N)nc2c1c(C#N)c[nH]2" . "OCc1ccc(cc1)c1nc(N)nc2c1c(C#N)c[nH]2" . "BJQSJIPGTMBHKF-UHFFFAOYSA-N" . "InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)" . "CNC(=O)c1c(oc2c1c(CN1CCCCC1)c(cc2)O)c1ccc(cc1)O" . "CNC(=O)c1c(oc2c1c(CN1CCCCC1)c(cc2)O)c1ccc(cc1)O" . "PQGCMFVNJWTUFH-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)" . "Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2c(n1)nc(n2)C(F)(F)C" . "Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2c(n1)nc(n2)C(F)(F)C" . "OIZSVTOIBNSVOS-UHFFFAOYSA-N" . "InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3" . "CCC(C(=O)N(Cc1ccccc1)O)(C)C" . "CCC(C(=O)N(Cc1ccccc1)O)(C)C" . "AVYVHIKSFXVDBG-UHFFFAOYSA-N" . "InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3" . "Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl" . "Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl" . "HGUFODBRKLSHSI-UHFFFAOYSA-N" . "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H" . "NC1=NC2(CO1)c1cc(C#CC3(C)COC3)cnc1Oc1c2cc(cc1)c1cccnc1F" . "NC1=N[C@]2(CO1)c1cc(C#CC3(C)COC3)cnc1Oc1c2cc(cc1)c1cccnc1F" . "GKKFBOARESVMBW-VWLOTQADSA-N" . "InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1" . "NCC1OC(Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3" . "NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3" . "QLJOSZATCBCBDR-DFKUFRTHSA-N" . "InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1" . "NC(=O)C(Nc1ccc2c(c1)OCCn1c2nc(c1)N1C(=O)OCC1C(F)F)C" . "NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1c2nc(c1)N1C(=O)OC[C@H]1C(F)F)C" . "SGEUNORSOZVTOL-CABZTGNLSA-N" . "InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1" . "OC(CCc1ccccc1)CCC1C(O)CC(C1CC=CCCCC(=O)OCCCCO[N+](=O)[O-])O" . "O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)OCCCCO[N+](=O)[O-])O" . "LOVMMUBRQUFEAH-UIEAZXIASA-N" . "InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23+,24+,25-,26+/m0/s1" . "OCc1cccc(c1)c1ccc(c(n1)C(=O)Nc1c(C)ccc(c1C)C(=O)O)C" . "OCc1cccc(c1)c1ccc(c(n1)C(=O)Nc1c(C)ccc(c1C)C(=O)O)C" . "WRBLOVAXQYYLFM-UHFFFAOYSA-N" . "InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)" . "NC1CC(COC1c1cc(F)ccc1F)N1CC2=C(C1)CS(=O)(=O)C2" . "N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CC2=C(C1)CS(=O)(=O)C2" . "ROFOCLOPXHFEIE-XOKHGSTOSA-N" . "InChI=1S/C17H20F2N2O3S/c18-12-1-2-15(19)14(3-12)17-16(20)4-13(7-24-17)21-5-10-8-25(22,23)9-11(10)6-21/h1-3,13,16-17H,4-9,20H2/t13-,16+,17-/m1/s1" . "CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2" . "CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2" . "PDGKHKMBHVFCMG-UHFFFAOYSA-N" . "InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)" . "CCOC(=O)Cn1nc(cc1c1ccc(cc1)c1cccc(c1)S(=O)(=O)C)C(F)(F)F" . "CCOC(=O)Cn1nc(cc1c1ccc(cc1)c1cccc(c1)S(=O)(=O)C)C(F)(F)F" . "ZUMNJDGBYXHASJ-UHFFFAOYSA-N" . "InChI=1S/C21H19F3N2O4S/c1-3-30-20(27)13-26-18(12-19(25-26)21(22,23)24)15-9-7-14(8-10-15)16-5-4-6-17(11-16)31(2,28)29/h4-12H,3,13H2,1-2H3" . "ON=c1cc(oc2c1cc(CCCN1CCOCC1)cc2)c1ncc2c(c1)scc2" . "ON=c1cc(oc2c1cc(CCCN1CCOCC1)cc2)c1ncc2c(c1)scc2" . "ZTEDNASHAWNBKQ-UHFFFAOYSA-N" . "InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2" . "CCCc1nc(ccc1C=CC(=O)NC(c1cc(F)c(c(c1)F)NS(=O)(=O)C)C)C(F)(F)F" . "CCCc1nc(ccc1/C=C/C(=O)N[C@@H](c1cc(F)c(c(c1)F)NS(=O)(=O)C)C)C(F)(F)F" . "UKGJZDSUJSPAJL-YPUOHESYSA-N" . "InChI=1S/C21H22F5N3O3S/c1-4-5-17-13(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12(2)14-10-15(22)20(16(23)11-14)29-33(3,31)32/h6-12,29H,4-5H2,1-3H3,(H,27,30)/b9-7+/t12-/m1/s1" . "CC(CC(=O)Nc1cncc(c1)c1ccc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C" . "CC(CC(=O)Nc1cncc(c1)c1ccc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C" . "AQDWDWAYVBQMAM-UHFFFAOYSA-N" . "InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)" . "NC(C(=O)O)Cc1ccc(cc1)Cl" . "NC(C(=O)O)Cc1ccc(cc1)Cl" . "NIGWMJHCCYYCSF-UHFFFAOYSA-N" . "InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)" . "N#CCC(=O)N1CC(C21CCN(C2)c1ncnc2c1cc[nH]2)C" . "N#CCC(=O)N1C[C@@H]([C@]21CCN(C2)c1ncnc2c1cc[nH]2)C" . "LOWWYYZBZNSPDT-ZBEGNZNMSA-N" . "InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2OCc1ccc(cc1)CN1CCOCC1" . "O=C1CC[C@@H](C(=O)N1)N1Cc2c(C1=O)cccc2OCc1ccc(cc1)CN1CCOCC1" . "IXZOHGPZAQLIBH-NRFANRHFSA-N" . "InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1" . "Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2" . "Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2" . "AZEXWHKOMMASPA-UHFFFAOYSA-N" . "InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3" . "OCC(=CCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)C" . "OC/C(=C/CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)/C" . "IPOCPVGCROEFJO-NTEUORMPSA-N" . "InChI=1S/C18H33O8P/c1-14(11-19)9-8-10-27(22,25-12-23-15(20)17(2,3)4)26-13-24-16(21)18(5,6)7/h9,19H,8,10-13H2,1-7H3/b14-9+" . "S=C=NCCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(CO)CC1)(C)C)(C)C" . "S=C=NCCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@H](CO)CC1)(C)C)(C)C" . "JCIYJYHFBBXSBF-HMXCVIKNSA-N" . "InChI=1S/C26H39NO3S/c1-25(2,11-7-5-6-8-12-27-17-31)19-14-22(29)24-20-13-18(16-28)9-10-21(20)26(3,4)30-23(24)15-19/h14-15,18,20-21,28-29H,5-13,16H2,1-4H3/t18-,20-,21-/m1/s1" . "BrCCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=CC1)C)(C)C)(C)C" . "BrCCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C" . "SZDVFUZKFPGYEK-WOJBJXKFSA-N" . "InChI=1S/C25H37BrO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-14H2,1-5H3/t19-,20-/m1/s1" . "NCCCn1c2ccccc2c(=O)c2c1c(C)c(C)cc2" . "NCCCn1c2ccccc2c(=O)c2c1c(C)c(C)cc2" . "CFPDEQBPNROZDC-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21/h3-4,6-9H,5,10-11,19H2,1-2H3" . "CSc1nc(c(n1C)c1ccnc(c1)NC(=O)C)c1ccc(cc1)F" . "CSc1nc(c(n1C)c1ccnc(c1)NC(=O)C)c1ccc(cc1)F" . "CJKGORBZVWDVRY-UHFFFAOYSA-N" . "InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)" . "CCOC(=O)c1cccc(c1)NC(=O)CCCCCCCSc1nnc(n1C)Cc1nn(C)c(=O)c2c1cccc2" . "CCOC(=O)c1cccc(c1)NC(=O)CCCCCCCSc1nnc(n1C)Cc1nn(C)c(=O)c2c1cccc2" . "GWNFQAKCJYEJEW-UHFFFAOYSA-N" . "InChI=1S/C30H36N6O4S/c1-4-40-29(39)21-13-12-14-22(19-21)31-27(37)17-8-6-5-7-11-18-41-30-33-32-26(35(30)2)20-25-23-15-9-10-16-24(23)28(38)36(3)34-25/h9-10,12-16,19H,4-8,11,17-18,20H2,1-3H3,(H,31,37)" . "N#Cc1cccc(c1)COc1cc(OCc2cccc(c2C)c2ccc3c(c2)OCCO3)c(cc1CN1CC(CC1C(=O)O)O)Cl" . "N#Cc1cccc(c1)COc1cc(OCc2cccc(c2C)c2ccc3c(c2)OCCO3)c(cc1CN1C[C@@H](C[C@@H]1C(=O)O)O)Cl" . "QBXVXKRWOVBUDB-GRKNLSHJSA-N" . "InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1" . "COc1nc(OCc2cccc(c2C)c2ccccc2)ccc1CNCCNC(=O)C" . "COc1nc(OCc2cccc(c2C)c2ccccc2)ccc1CNCCNC(=O)C" . "JEDPSOYOYVELLZ-UHFFFAOYSA-N" . "InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)" . "ClC(P(=O)(O)O)(P(=O)(O)O)Cl" . "ClC(P(=O)(O)O)(P(=O)(O)O)Cl" . "ACSIXWWBWUQEHA-UHFFFAOYSA-N" . "InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)" . "CN(C(=O)n1cnc(c1)c1cccnc1)C1CCCCC1" . "CN(C(=O)n1cnc(c1)c1cccnc1)C1CCCCC1" . "DWCWWJONKWHPDD-UHFFFAOYSA-N" . "InChI=1S/C16H20N4O/c1-19(14-7-3-2-4-8-14)16(21)20-11-15(18-12-20)13-6-5-9-17-10-13/h5-6,9-12,14H,2-4,7-8H2,1H3" . "COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C" . "COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C" . "XHOLNRLADUSQLD-UHFFFAOYSA-N" . "InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)" . "COc1cc2c(ccnc2cc1OCC1(N)CC1)Oc1ccc2c(c1F)cc([nH]2)C" . "COc1cc2c(ccnc2cc1OCC1(N)CC1)Oc1ccc2c(c1F)cc([nH]2)C" . "KSMZEXLVHXZPEF-UHFFFAOYSA-N" . "InChI=1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3" . "NC1CCCCC1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O" . "N[C@H]1CCCC[C@H]1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O" . "MJHOMTRKVMKCNE-NWDGAFQWSA-N" . "InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1" . "[O-][N+](=O)OC1COC2C1OCC2O" . "[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O" . "YWXYYJSYQOXTPL-SLPGGIOYSA-N" . "InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1" . "CCOc1cc(ccc1C1=NC(C(N1C(=O)N1CCN(CC1)CCCS(=O)(=O)C)(C)c1ccc(cc1)Cl)(C)c1ccc(cc1)Cl)C(C)(C)C" . "CCOc1cc(ccc1C1=N[C@@]([C@@](N1C(=O)N1CCN(CC1)CCCS(=O)(=O)C)(C)c1ccc(cc1)Cl)(C)c1ccc(cc1)Cl)C(C)(C)C" . "QBGKPEROWUKSBK-QPPIDDCLSA-N" . "InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1" . "CN(CCCNC(=O)c1ccc(cc1)c1cc(O)c2c(c1)cccn2)C" . "CN(CCCNC(=O)c1ccc(cc1)c1cc(O)c2c(c1)cccn2)C" . "QDBVSOZTVKXUES-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)" . "O=c1ccc2c(o1)cc1c(c2OCCCCc2ccccc2)cco1" . "O=c1ccc2c(o1)cc1c(c2OCCCCc2ccccc2)cco1" . "JJAWGNIQEOFURP-UHFFFAOYSA-N" . "InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2" . "COc1cc(OC)ccc1c1c[nH]c2c1c(ccn2)c1cscc1" . "COc1cc(OC)ccc1c1c[nH]c2c1c(ccn2)c1cscc1" . "WEHOIIGXTMKVRG-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O2S/c1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12/h3-11H,1-2H3,(H,20,21)" . "N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1ccc2c(c1)CC(=O)N2" . "N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1ccc2c(c1)CC(=O)N2" . "DHPSFJYFPJRCTN-UHFFFAOYSA-N" . "InChI=1S/C23H20N6O/c24-14-17-11-15(3-6-21(17)29-9-1-2-10-29)20-7-8-25-23(28-20)26-18-4-5-19-16(12-18)13-22(30)27-19/h3-8,11-12H,1-2,9-10,13H2,(H,27,30)(H,25,26,28)" . "COc1ccc(cc1)N1N=CC2C1N=C(N=C2)Nc1cc(OC)c(c(c1)OCCCN1CCN(CC1)C)OC" . "COc1ccc(cc1)N1N=CC2C1N=C(N=C2)Nc1cc(OC)c(c(c1)OCCCN1CCN(CC1)C)OC" . "DRSHXJFUUPIBHX-UHFFFAOYSA-N" . "InChI=1S/C28H37N7O4/c1-33-11-13-34(14-12-33)10-5-15-39-25-17-21(16-24(37-3)26(25)38-4)31-28-29-18-20-19-30-35(27(20)32-28)22-6-8-23(36-2)9-7-22/h6-9,16-20,27H,5,10-15H2,1-4H3,(H,31,32)" . "N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1cccc(c1)NC(=O)N1CCCC1" . "N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1cccc(c1)NC(=O)N1CCCC1" . "MQAQKNLCUSPSAF-UHFFFAOYSA-N" . "InChI=1S/C26H27N7O/c27-18-20-16-19(8-9-24(20)32-12-1-2-13-32)23-10-11-28-25(31-23)29-21-6-5-7-22(17-21)30-26(34)33-14-3-4-15-33/h5-11,16-17H,1-4,12-15H2,(H,30,34)(H,28,29,31)" . "COc1ccc(cc1)c1ccc(cc1)C1NC2C(=N1)C(=C(C=N2)C(=O)N)NNCCCNC(=O)C1CCCCC1" . "COc1ccc(cc1)c1ccc(cc1)C1NC2C(=N1)C(=C(C=N2)C(=O)N)NNCCCNC(=O)C1CCCCC1" . "UMLDEMVOMRDOLS-UHFFFAOYSA-N" . "InChI=1S/C30H37N7O3/c1-40-23-14-12-20(13-15-23)19-8-10-21(11-9-19)28-35-26-25(24(27(31)38)18-33-29(26)36-28)37-34-17-5-16-32-30(39)22-6-3-2-4-7-22/h8-15,18,22,28-29,34,36-37H,2-7,16-17H2,1H3,(H2,31,38)(H,32,39)" . "CN(C(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C" . "CN(C(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C" . "ZDEZQXNVPSUJHK-UHFFFAOYSA-N" . "InChI=1S/C26H24F3N7O3/c1-33(25(37)20-8-7-17(36(38)39)15-21(20)26(27,28)29)16-10-13-35(14-11-16)24-19-6-4-3-5-18(19)23(31-32-24)22-9-12-30-34(22)2/h3-9,12,15-16H,10-11,13-14H2,1-2H3" . "OC(=O)CCNC(=O)c1ccc(cc1)C(C1CC(C1)(C)C)Nc1ccc(nc1)n1cnc(c1)C(F)(F)F" . "OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](C1CC(C1)(C)C)Nc1ccc(nc1)n1cnc(c1)C(F)(F)F" . "MYZIDYJMNWEJMC-QHCPKHFHSA-N" . "InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-19-7-8-21(31-13-19)34-14-20(32-15-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)/t23-/m0/s1" . "O=C(N(c1ccc(cc1)C1CCCCC1)Cc1ccc(cc1)C(=O)Nc1n[nH]nn1)Nc1cccc(c1)S(=O)(=O)C" . "O=C(N(c1ccc(cc1)C1CCCCC1)Cc1ccc(cc1)C(=O)Nc1n[nH]nn1)Nc1cccc(c1)S(=O)(=O)C" . "PPTKULJUDJWTSA-UHFFFAOYSA-N" . "InChI=1S/C29H31N7O4S/c1-41(39,40)26-9-5-8-24(18-26)30-29(38)36(25-16-14-22(15-17-25)21-6-3-2-4-7-21)19-20-10-12-23(13-11-20)27(37)31-28-32-34-35-33-28/h5,8-18,21H,2-4,6-7,19H2,1H3,(H,30,38)(H2,31,32,33,34,35,37)" . "CCC(=O)C1CCCN1C(=O)C(N(C(=O)C(NC(=O)C1CSC(=N1)C1CC(CN1C(=O)C(N(C(=O)C(NC(=O)C(C)(C)C)C)C)Cc1ccc(c(c1)Br)O)C)CC(C)C)C)Cc1ccccc1" . "CCC(=O)[C@@H]1CCCN1C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H]1CSC(=N1)[C@@H]1C[C@@H](CN1C(=O)[C@H](N(C(=O)[C@@H](NC(=O)C(C)(C)C)C)C)Cc1ccc(c(c1)Br)O)C)CC(C)C)C)Cc1ccccc1" . "ADHYVMBQQIBLSN-WQGIEDEVSA-N" . "InChI=1S/C50H70BrN7O8S/c1-11-41(59)37-18-15-21-57(37)47(64)39(25-32-16-13-12-14-17-32)56(10)46(63)35(22-29(2)3)53-43(61)36-28-67-44(54-36)38-23-30(4)27-58(38)48(65)40(26-33-19-20-42(60)34(51)24-33)55(9)45(62)31(5)52-49(66)50(6,7)8/h12-14,16-17,19-20,24,29-31,35-40,60H,11,15,18,21-23,25-28H2,1-10H3,(H,52,66)(H,53,61)/t30-,31-,35+,36+,37-,38-,39-,40+/m0/s1" . "CCOC(Cn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)OCC" . "CCOC(Cn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)OCC" . "PSICWGWNIOOULV-UHFFFAOYSA-N" . "InChI=1S/C18H21N7O3/c1-3-26-13(27-4-2)8-25-17-14(16(19)21-9-22-17)15(24-25)10-5-6-12-11(7-10)23-18(20)28-12/h5-7,9,13H,3-4,8H2,1-2H3,(H2,20,23)(H2,19,21,22)" . "CC(=O)Nc1ccc(cc1)O" . "CC(=O)Nc1ccc(cc1)O" . "RZVAJINKPMORJF-UHFFFAOYSA-N" . "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)" . "NCCCCC(N1CC2N(CC1=O)C(=O)C(CN2C(=O)c1ccco1)NC(=O)CC(C)C)C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CC(C)C" . "NCCCC[C@H](N1CC2N(CC1=O)C(=O)[C@H](CN2C(=O)c1ccco1)NC(=O)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CC(C)C" . "OHQDORKALTUSJJ-ZHLQKWORSA-N" . "InChI=1S/C38H53N7O10/c1-22(2)16-26(34(49)42-27(38(53)54)18-24-10-12-25(46)13-11-24)41-35(50)29(8-5-6-14-39)43-20-32-44(37(52)30-9-7-15-55-30)19-28(40-31(47)17-23(3)4)36(51)45(32)21-33(43)48/h7,9-13,15,22-23,26-29,32,46H,5-6,8,14,16-21,39H2,1-4H3,(H,40,47)(H,41,50)(H,42,49)(H,53,54)/t26-,27-,28-,29-,32?/m0/s1" . "CC(C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2" . "C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2" . "NJNXCJPSMWKXHO-VIFPVBQESA-N" . "InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1" . "CN1CCC2(C(C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O" . "CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O" . "LEPBHAAYNPPRRA-WMZHIEFXSA-N" . "InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1" . "CN(C1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C" . "CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C" . "XKBSPAZCFAIBJL-OAHLLOKOSA-N" . "InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m1/s1" . "Fc1cc2c(C3CC(=O)NC3=O)c[nH]c2cc1" . "Fc1cc2c(C3CC(=O)NC3=O)c[nH]c2cc1" . "MXKLDYKORJEOPR-UHFFFAOYSA-N" . "InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)" . "CC(CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)N)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CC[C@H](C2)N)C)C" . "RJNGJYWAIUJHOJ-DSHIFKSRSA-N" . "InChI=1S/C27H49N/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17,28H2,1-5H3/t19-,20?,21-,22+,23-,24+,25+,26+,27-/m1/s1" . "Cn1ncc(c1)C#Cc1cccc2c1c(=O)n(c(c2)C(NC(=O)c1c(N)nn2c1nccc2)C)c1ccccc1" . "Cn1ncc(c1)C#Cc1cccc2c1c(=O)n(c(c2)[C@@H](NC(=O)c1c(N)nn2c1nccc2)C)c1ccccc1" . "XUMALORDVCFWKV-IBGZPJMESA-N" . "InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1" . "CCc1nc2n(c1N(c1sc(c(n1)c1ccc(cc1)F)C#N)C)cc(cc2C)N1CCN(CC1)CC(=O)N1CC(C1)O" . "CCc1nc2n(c1N(c1sc(c(n1)c1ccc(cc1)F)C#N)C)cc(cc2C)N1CCN(CC1)CC(=O)N1CC(C1)O" . "REQQVBGILUTQNN-UHFFFAOYSA-N" . "InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3" . "N#Cc1ccc(cc1)NC(=O)c1ccc2c(c1)nc(n2C(C1CCCCC1)C)c1cc2OCOc2cc1Br" . "N#Cc1ccc(cc1)NC(=O)c1ccc2c(c1)nc(n2[C@H](C1CCCCC1)C)c1cc2OCOc2cc1Br" . "FJAOGFGHTPYADT-SFHVURJKSA-N" . "InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1" . "C=CC(=O)N1CC(CCC1C)Nc1ncnc2c1cc[nH]2" . "C=CC(=O)N1C[C@@H](CC[C@@H]1C)Nc1ncnc2c1cc[nH]2" . "CBRJPFGIXUFMTM-WDEREUQCSA-N" . "InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1" . "CC(NC(=O)COc1cccc(c1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2)C" . "CC(NC(=O)COc1cccc(c1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2)C" . "GKHIVNAUVKXIIY-UHFFFAOYSA-N" . "InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)" . "COc1ccc(cc1)C(=O)c1ccc(cc1C(=O)O)C(=O)c1ccc(cn1)N(c1ccc(cc1)Cl)CC1CC1" . "COc1ccc(cc1)C(=O)c1ccc(cc1C(=O)O)C(=O)c1ccc(cn1)N(c1ccc(cc1)Cl)CC1CC1" . "GRDDFJXOEAJYCT-UHFFFAOYSA-N" . "InChI=1S/C31H25ClN2O5/c1-39-25-12-4-20(5-13-25)29(35)26-14-6-21(16-27(26)31(37)38)30(36)28-15-11-24(17-33-28)34(18-19-2-3-19)23-9-7-22(32)8-10-23/h4-17,19H,2-3,18H2,1H3,(H,37,38)" . "COc1cc(cnc1C(=O)C1CC1C(=O)O)N(c1ccc2c3c1cccc3CC2)CC1CC1" . "COc1cc(cnc1C(=O)C1CC1C(=O)O)N(c1ccc2c3c1cccc3CC2)CC1CC1" . "FQHWQFIPEVBFKT-UHFFFAOYSA-N" . "InChI=1S/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)" . "O=C(c1n[nH]c(n1)Cc1ccccc1)NC1COc2c(N(C1=O)C)cccc2" . "O=C(c1n[nH]c(n1)Cc1ccccc1)N[C@H]1COc2c(N(C1=O)C)cccc2" . "LYPAFUINURXJSG-AWEZNQCLSA-N" . "InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1" . "CCCCCCCCCCCCOP(=S)(O)O" . "CCCCCCCCCCCCOP(=S)(O)O" . "ISWBBUXCFWZBKC-UHFFFAOYSA-N" . "InChI=1S/C12H27O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h2-12H2,1H3,(H2,13,14,17)" . "CCCc1nn(c2c1nc(nc2Oc1ncc(s1)N(N=O)C)c1cc(ccc1OCC)S(=O)(=O)C1CC(C)NC(C1)C)C" . "CCCc1nn(c2c1nc(nc2Oc1ncc(s1)N(N=O)C)c1cc(ccc1OCC)S(=O)(=O)C1CC(C)NC(C1)C)C" . "BNIFBESUYAAZKT-UHFFFAOYSA-N" . "InChI=1S/C28H36N8O5S2/c1-7-9-21-24-25(36(6)33-21)27(41-28-29-15-23(42-28)35(5)34-37)32-26(31-24)20-14-18(10-11-22(20)40-8-2)43(38,39)19-12-16(3)30-17(4)13-19/h10-11,14-17,19,30H,7-9,12-13H2,1-6H3" . "COc1ccc2c(c1)ccc(c2)C(C(=O)OCCCCO[N+](=O)[O-])C" . "COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)OCCCCO[N+](=O)[O-])C" . "AKFJWRDCWYYTIG-ZDUSSCGKSA-N" . "InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1" . "Clc1ccc(cc1)C=NNC(=O)c1ccccc1" . "Clc1ccc(cc1)/C=N/NC(=O)c1ccccc1" . "YJGPDMQKIPQVLX-MHWRWJLKSA-N" . "InChI=1S/C14H11ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b16-10+" . "NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC" . "NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC" . "DOTGPNHGTYJDEP-UHFFFAOYSA-N" . "InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)" . "N#Cc1ccc(cc1)c1n[nH]cc1CN1CCN(C(C1)C)c1ccc(cn1)C(F)(F)F" . "N#Cc1ccc(cc1)c1n[nH]cc1CN1CCN([C@@H](C1)C)c1ccc(cn1)C(F)(F)F" . "VNTCGXMLDSKOKN-OAHLLOKOSA-N" . "InChI=1S/C22H21F3N6/c1-15-13-30(8-9-31(15)20-7-6-19(12-27-20)22(23,24)25)14-18-11-28-29-21(18)17-4-2-16(10-26)3-5-17/h2-7,11-12,15H,8-9,13-14H2,1H3,(H,28,29)/t15-/m1/s1" . "OCC1OC(Oc2n[nH]c(c2Cc2ccc(cc2C)OCCCNCC(C(=O)N)(C)C)C(C)C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](Oc2n[nH]c(c2Cc2ccc(cc2C)OCCCNCC(C(=O)N)(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O" . "LREHMKLEOJAVMQ-TXKDOCKMSA-N" . "InChI=1S/C28H44N4O8/c1-15(2)21-19(25(32-31-21)40-26-24(36)23(35)22(34)20(13-33)39-26)12-17-7-8-18(11-16(17)3)38-10-6-9-30-14-28(4,5)27(29)37/h7-8,11,15,20,22-24,26,30,33-36H,6,9-10,12-14H2,1-5H3,(H2,29,37)(H,31,32)/t20-,22-,23+,24-,26+/m1/s1" . "CNCCN1CCC(CC1)c1nccc(c1)CN(C(=O)c1cccc(c1)Oc1ccccc1)C" . "CNCCN1CCC(CC1)c1nccc(c1)CN(C(=O)c1cccc(c1)Oc1ccccc1)C" . "VUIITYLFSAXKIQ-UHFFFAOYSA-N" . "InChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3" . "O=C1CSc2c(N1Cc1cccc(c1)C(F)(F)F)cccc2" . "O=C1CSc2c(N1Cc1cccc(c1)C(F)(F)F)cccc2" . "ZUIJXKLTUFCDGO-UHFFFAOYSA-N" . "InChI=1S/C16H12F3NOS/c17-16(18,19)12-5-3-4-11(8-12)9-20-13-6-1-2-7-14(13)22-10-15(20)21/h1-8H,9-10H2" . "O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O)NC1=CC(C=CC1)C(=O)NC1=C(C)C=CC(C1)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O" . "O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O)NC1=CC(C=CC1)C(=O)NC1=C(C)C=CC(C1)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O" . "RLZIFZVDVFDJNF-UHFFFAOYSA-N" . "InChI=1S/C51H44N6O23S6/c1-25-9-11-31(49(60)56-43-41(83(69,70)71)21-27-13-15-35(81(63,64)65)23-37(27)45(43)85(75,76)77)19-39(25)54-47(58)29-5-3-7-33(17-29)52-51(62)53-34-8-4-6-30(18-34)48(59)55-40-20-32(12-10-26(40)2)50(61)57-44-42(84(72,73)74)22-28-14-16-36(82(66,67)68)24-38(28)46(44)86(78,79)80/h3-7,9-19,21-24,30,32H,8,20H2,1-2H3,(H,54,58)(H,55,59)(H,56,60)(H,57,61)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)" . "COc1cc(cc2c1cc(NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1cc3c(OC)cc(cc3cc1S(=O)(=O)O)S(=O)(=O)O)C)c(c2)S(=O)(=O)O)S(=O)(=O)O" . "COc1cc(cc2c1cc(NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1cc3c(OC)cc(cc3cc1S(=O)(=O)O)S(=O)(=O)O)C)c(c2)S(=O)(=O)O)S(=O)(=O)O" . "OVDXRPYTXUZANY-UHFFFAOYSA-N" . "InChI=1S/C53H44N6O19S4/c1-27-11-13-31(51(62)58-43-25-39-33(21-47(43)81(71,72)73)17-37(79(65,66)67)23-45(39)77-3)19-41(27)56-49(60)29-7-5-9-35(15-29)54-53(64)55-36-10-6-8-30(16-36)50(61)57-42-20-32(14-12-28(42)2)52(63)59-44-26-40-34(22-48(44)82(74,75)76)18-38(80(68,69)70)24-46(40)78-4/h5-26H,1-4H3,(H,56,60)(H,57,61)(H,58,62)(H,59,63)(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)" . "O=C(N1CCc2c1ccc(c2F)c1cn(c2c1c(N)ncn2)C)Cc1cccc(n1)C" . "O=C(N1CCc2c1ccc(c2F)c1cn(c2c1c(N)ncn2)C)Cc1cccc(n1)C" . "PRWSIEBRGXYXAJ-UHFFFAOYSA-N" . "InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27)" . "O=C(Nc1c(Br)cc(cc1Br)C(C)C)Nc1cccnc1" . "O=C(Nc1c(Br)cc(cc1Br)C(C)C)Nc1cccnc1" . "JFNKIJKRXKPQCC-UHFFFAOYSA-N" . "InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)" . "Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2" . "Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2" . "DHZNMEIBMACSFH-UHFFFAOYSA-N" . "InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3" . "Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1c2cccc1" . "Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1c2cccc1" . "NKYMVQPXXTZHSF-UHFFFAOYSA-N" . "InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)" . "Clc1nc(Nc2cccc(c2)Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)O)nc(n1)Cl" . "Clc1nc(Nc2cccc(c2)Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)O)nc(n1)Cl" . "BLCUJFVIEUPNOP-UHFFFAOYSA-N" . "InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-5-3-4-10(8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-6-1-2-7-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)" . "OCC(Nc1ncc(c(n1)N)Oc1cc(I)c(cc1C(C)C)OC)CO" . "OCC(Nc1ncc(c(n1)N)Oc1cc(I)c(cc1C(C)C)OC)CO" . "PAYROHWFGZADBR-UHFFFAOYSA-N" . "InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22)" . "COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC" . "COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC" . "YXSLJKQTIDHPOT-UHFFFAOYSA-N" . "InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2" . "COc1ccc2c(c1)ccc(c2)C(C(=O)Oc1ccc(cc1)C(=S)N)C" . "COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)Oc1ccc(cc1)C(=S)N)C" . "YCNMAPLPQYQJFC-ZDUSSCGKSA-N" . "InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)/t13-/m0/s1" . "CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(=O)(=O)F)c2c(c1=O)nc([nH]2)C1CCCCC1" . "CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(=O)(=O)F)c2c(c1=O)nc([nH]2)C1CCCCC1" . "KAJVJPLKXGLLDA-UHFFFAOYSA-N" . "InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)" . "CNCCN1CCC(CC1)OCc1ccccc1" . "CNCCN1CCC(CC1)OCc1ccccc1" . "HBOJWAYLSJLULG-UHFFFAOYSA-N" . "InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3" . "OC(C1OC(C(C1O)O)n1ccc2c1ncnc2N)c1ccccc1" . "O[C@@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N)c1ccccc1" . "WWOOWAHTEXIWBO-QFRSUPTLSA-N" . "InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1" . "N#Cc1cc2c(n1Cc1c[nH]nc1)ccc(c2C)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F" . "N#Cc1cc2c(n1Cc1c[nH]nc1)ccc(c2C)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F" . "DETOMBLLEOZTMZ-UHFFFAOYSA-N" . "InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)" . "CN(C1CN(CC1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)C)C1CCc2c1c(F)ccc2)C" . "CN([C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)C)C1CCc2c1c(F)ccc2)C" . "REVJNSVNICWODC-KIDMSAQOSA-N" . "InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1" . "OCCCc1ccc2c3c1cccc3c(=O)n(c2=O)c1cc2c(cc1C)n(c(=O)n2C)C" . "OCCCc1ccc2c3c1cccc3c(=O)n(c2=O)c1cc2c(cc1C)n(c(=O)n2C)C" . "OFWWWKWUCDUISA-UHFFFAOYSA-N" . "InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3" . "COc1cc2c(cc1NS(=O)(=O)c1ccc(cc1C)Br)n(c(=O)n2C)C" . "COc1cc2c(cc1NS(=O)(=O)c1ccc(cc1C)Br)n(c(=O)n2C)C" . "YUNQZQREIHWDQT-UHFFFAOYSA-N" . "InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3" . "Cc1ccc(cc1c1cc(n2c1nccc2)C(=O)C)C(=O)NC1CC1" . "Cc1ccc(cc1c1cc(n2c1nccc2)C(=O)C)C(=O)NC1CC1" . "RPBMXJHQYJLPDN-UHFFFAOYSA-N" . "InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)" . "COC1CNCC(C1Nc1ncc(c2c1[nH]c(=O)c(c2)C)c1cncc(c1)C)OCC1CCC(CC1)(F)F" . "CO[C@H]1CNC[C@H]([C@@H]1Nc1ncc(c2c1[nH]c(=O)c(c2)C)c1cncc(c1)C)OCC1CCC(CC1)(F)F" . "YDPMMWAOCCOULO-JBRSBNLGSA-N" . "InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1" . "O=C1CCCN1C" . "O=C1CCCN1C" . "SECXISVLQFMRJM-UHFFFAOYSA-N" . "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" . "CN(CC(=O)O)CCOP(=O)(OP(=O)(O)O)O" . "CN(CC(=O)O)CCOP(=O)(OP(=O)(O)O)O" . "YERUUUBBRAPJND-UHFFFAOYSA-N" . "InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)" . "C=CC(=O)Nc1cc(ccc1C)N1C(=O)CCc2c1c1cc(ccc1nc2)n1cccn1" . "C=CC(=O)Nc1cc(ccc1C)N1C(=O)CCc2c1c1cc(ccc1nc2)n1cccn1" . "AANOKQLITQDWQD-UHFFFAOYSA-N" . "InChI=1S/C25H21N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-5,7-9,11-15H,1,6,10H2,2H3,(H,28,31)" . "OC(=O)C(CCCN=C(N)N)N" . "OC(=O)[C@H](CCCN=C(N)N)N" . "ODKSFYDXXFIFQN-BYPYZUCNSA-N" . "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1" . "O=C(c1sc(nc1C)c1cccnc1)Nc1ccccc1c1cn2c(n1)scc2CN1CCOCC1" . "O=C(c1sc(nc1C)c1cccnc1)Nc1ccccc1c1cn2c(n1)scc2CN1CCOCC1" . "LAMQVIQMVKWXOC-UHFFFAOYSA-N" . "InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)" . "COCCCn1c2nc3ccccc3nc2c(c1N)C(=O)NC1CCCC1" . "COCCCn1c2nc3ccccc3nc2c(c1N)C(=O)NC1CCCC1" . "VNOFYGGJZCEPAH-UHFFFAOYSA-N" . "InChI=1S/C20H25N5O2/c1-27-12-6-11-25-18(21)16(20(26)22-13-7-2-3-8-13)17-19(25)24-15-10-5-4-9-14(15)23-17/h4-5,9-10,13H,2-3,6-8,11-12,21H2,1H3,(H,22,26)" . "O=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)N(c1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C" . "O=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)N(c1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C" . "SNRUTMWCDZHKKM-UHFFFAOYSA-N" . "InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)" . "Clc1cccc(c1)C(CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O" . "Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O" . "LLDXOPKUNJTIRF-QFIPXVFZSA-N" . "InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1" . "Cc1cccc(c1)c1oc(nc1C(=O)Nc1cnn(n1)Cc1occ(n1)C(F)(F)C)C" . "Cc1cccc(c1)c1oc(nc1C(=O)Nc1cnn(n1)Cc1occ(n1)C(F)(F)C)C" . "PBTWPEDVIMHJEO-UHFFFAOYSA-N" . "InChI=1S/C20H18F2N6O3/c1-11-5-4-6-13(7-11)18-17(24-12(2)31-18)19(29)26-15-8-23-28(27-15)9-16-25-14(10-30-16)20(3,21)22/h4-8,10H,9H2,1-3H3,(H,26,27,29)" . "O=S(=O)(c1ccc(cc1)Oc1ccccc1)CC1SC1" . "O=S(=O)(c1ccc(cc1)Oc1ccccc1)CC1SC1" . "LSONWRHLFZYHIN-UHFFFAOYSA-N" . "InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2" . "CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2C(=O)O)NC(=S)NCCCCCC(=O)OCC2OC(O)C(C(C2O)OC(C(=O)NC(C(=O)NC(C(=O)N)CCC(=O)O)C)C)NC(=O)C)ccc(=[N+](CC)CC)c1)CC" . "CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2C(=O)O)NC(=S)NCCCCCC(=O)OC[C@H]2O[C@@H](O)[C@@H]([C@H]([C@@H]2O)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)CCC(=O)O)C)C)NC(=O)C)ccc(=[N+](CC)CC)c1)CC" . "WIKKPYADGXLQLA-FREYQMBCSA-O" . "InChI=1S/C54H72N8O15S/c1-8-61(9-2)33-17-20-36-40(26-33)76-41-27-34(62(10-3)11-4)18-21-37(41)45(36)35-19-16-32(25-38(35)52(71)72)59-54(78)56-24-14-12-13-15-44(66)74-28-42-47(67)48(46(53(73)77-42)58-31(7)63)75-30(6)51(70)57-29(5)50(69)60-39(49(55)68)22-23-43(64)65/h16-21,25-27,29-30,39,42,46-48,53,67,73H,8-15,22-24,28H2,1-7H3,(H8,55,56,57,58,60,63,64,65,68,69,70,71,72,78)/p+1/t29-,30+,39+,42+,46+,47+,48+,53+/m0/s1" . "CN(C(=O)CN)CC(=O)O" . "CN(C(=O)CN)CC(=O)O" . "VYAMLSCELQQRAE-UHFFFAOYSA-N" . "InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)" . "O=C(NC(C(=O)O)CCCC(C(=O)O)N)CCC(C(=O)O)N" . "O=C(N[C@@H](C(=O)O)CCC[C@@H](C(=O)O)N)CC[C@H](C(=O)O)N" . "QIFGMZZTJRULMA-XLPZGREQSA-N" . "InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8+/m0/s1" . "CC(P(=O)(O)O)NC(=O)C(N)C" . "C[C@@H](P(=O)(O)O)NC(=O)[C@@H](N)C" . "BHAYDBSYOBONRV-IUYQGCFVSA-N" . "InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1" . "CC(CC(CC(=O)OC(C(Cc1ccccc1)NC(=O)COc1c(C)cccc1C)CC(NC(=O)C(N1CCCNC1=O)C(C)C)Cc1ccccc1)NC(=O)CC(Cc1c[nH]cn1)N)C" . "CC(CC(CC(=O)O[C@H]([C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)C[C@@H](NC(=O)[C@@H](N1CCCNC1=O)C(C)C)Cc1ccccc1)NC(=O)CC(Cc1c[nH]cn1)N)C" . "CNRARJITWNMDCM-XGZCXRAPSA-N" . "InChI=1S/C51H70N8O7/c1-33(2)23-40(56-45(60)27-39(52)26-42-30-53-32-55-42)29-47(62)66-44(43(25-38-19-11-8-12-20-38)58-46(61)31-65-49-35(5)15-13-16-36(49)6)28-41(24-37-17-9-7-10-18-37)57-50(63)48(34(3)4)59-22-14-21-54-51(59)64/h7-13,15-20,30,32-34,39-41,43-44,48H,14,21-29,31,52H2,1-6H3,(H,53,55)(H,54,64)(H,56,60)(H,57,63)(H,58,61)/t39?,40?,41-,43-,44-,48-/m0/s1" . "NCCC(=O)NC(C(=O)O)CCCCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)N" . "NCCC(=O)N[C@H](C(=O)O)CCCCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)N" . "BXZFTTVQAOLWHY-INIZCTEOSA-N" . "InChI=1S/C21H28N4O6/c1-12-14-6-5-13(23)10-17(14)31-21(30)15(12)11-19(27)24-9-3-2-4-16(20(28)29)25-18(26)7-8-22/h5-6,10,16H,2-4,7-9,11,22-23H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t16-/m0/s1" . "c1ccc2c(c1)[I+]c1c2cccc1.[Cl-]" . "c1ccc2c(c1)[I+]c1c2cccc1.[Cl-]" . "FCFZKAVCDNTYID-UHFFFAOYSA-M" . "InChI=1S/C12H8I.ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H/q+1;/p-1" . "COc1cccc(c1)n1nc(cc1c1ccc(c(c1)Cl)C1CCCCC1)C(=O)O" . "COc1cccc(c1)n1nc(cc1c1ccc(c(c1)Cl)C1CCCCC1)C(=O)O" . "BNALUYKEGYUHQC-UHFFFAOYSA-N" . "InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)" . "COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1" . "COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1" . "WGABOZPQOOZAOI-UHFFFAOYSA-N" . "InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)" . "O=C(OC(c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O" . "O=C(O[C@@H](c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O" . "GQBRZBHEPUQRPL-LJQANCHMSA-N" . "InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1" . "O=C(CC(O)(C)C)NC(C(=O)N1CCC(C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C" . "O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C" . "PTNKPLPRPJERNR-XXBNENTESA-N" . "InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1" . "OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl" . "OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl" . "WAAWETUDFSIYSD-UHFFFAOYSA-N" . "InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)" . "OC(=O)CCCNCc1cc2c(s1)c(ccc2)c1ccc2c(c1)cccc2" . "OC(=O)CCCNCc1cc2c(s1)c(ccc2)c1ccc2c(c1)cccc2" . "XDCOYBQVEVSNNB-UHFFFAOYSA-N" . "InChI=1S/C23H21NO2S/c25-22(26)9-4-12-24-15-20-14-19-7-3-8-21(23(19)27-20)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-8,10-11,13-14,24H,4,9,12,15H2,(H,25,26)" . "O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1" . "O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1" . "NDKGACIWVAOUQH-UHFFFAOYSA-N" . "InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2" . "CCCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N" . "CCC[C@@](COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N" . "WDHXDLFPOPVGGO-IBGZPJMESA-N" . "InChI=1S/C20H24ClF3NO5PS/c1-2-8-19(25,12-30-31(27,28)29)9-7-13-3-5-15(11-16(13)21)32-18-10-14(20(22,23)24)4-6-17(18)26/h3-6,10-11,26H,2,7-9,12,25H2,1H3,(H2,27,28,29)/t19-/m0/s1" . "OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C" . "OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C" . "BGAJNPLDJJBRHK-UHFFFAOYSA-N" . "InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29)" . "CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(COP(=O)(O)O)(CO)N" . "CCCCCCCOc1ccc(cc1C(F)(F)F)CC[C@](COP(=O)(O)O)(CO)N" . "OFRUGVQKZMGHHH-GOSISDBHSA-N" . "InChI=1S/C19H31F3NO6P/c1-2-3-4-5-6-11-28-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-29-30(25,26)27/h7-8,12,24H,2-6,9-11,13-14,23H2,1H3,(H2,25,26,27)/t18-/m1/s1" . "CCOC(=O)C(Cc1ccc(cc1)c1cc(nc(n1)N)OC(C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl)N" . "CCOC(=O)[C@H](Cc1ccc(cc1)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl)N" . "MDSQOJYHHZBZKA-GBXCKJPGSA-N" . "InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1" . "NC1CONC1=O" . "N[C@@H]1CONC1=O" . "DYDCUQKUCUHJBH-UWTATZPHSA-N" . "InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1" . "NC1CONC1=O" . "N[C@H]1CONC1=O" . "DYDCUQKUCUHJBH-REOHCLBHSA-N" . "InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1" . "CN1CC(=CCC1)C(=O)O" . "CN1CC(=CCC1)C(=O)O" . "DNJFTXKSFAMXQF-UHFFFAOYSA-N" . "InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)" . "NC(C(=O)NC(C(=O)O)CC(C)C)Cc1[nH]cnc1" . "N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1[nH]cnc1" . "MMFKFJORZBJVNF-UWVGGRQHSA-N" . "InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1" . "Nc1cccc(c1)CNC(=O)c1ccc(nc1)Oc1ccc(cc1)OCc1cccc(c1)F" . "Nc1cccc(c1)CNC(=O)c1ccc(nc1)Oc1ccc(cc1)OCc1cccc(c1)F" . "JZMLHJRKSJXARY-UHFFFAOYSA-N" . "InChI=1S/C26H22FN3O3/c27-21-5-1-4-19(13-21)17-32-23-8-10-24(11-9-23)33-25-12-7-20(16-29-25)26(31)30-15-18-3-2-6-22(28)14-18/h1-14,16H,15,17,28H2,(H,30,31)" . "CCCCCCCCCCCCCCCC(C(=O)OCC1OC(O)C(CC1O)O)CCCCCCCCCCCCC" . "CCCCCCCCCCCCCCCC(C(=O)OCC1O[C@@H](O)C(C[C@@H]1O)O)CCCCCCCCCCCCC" . "HOINWSFARNFWIP-IGIMWDRYSA-N" . "InChI=1S/C36H70O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-31(27-25-23-21-19-17-14-12-10-8-6-4-2)35(39)41-30-34-32(37)29-33(38)36(40)42-34/h31-34,36-38,40H,3-30H2,1-2H3/t31?,32-,33?,34?,36+/m0/s1" . "O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)OC(C(F)(F)F)C(F)(F)F" . "O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)OC(C(F)(F)F)C(F)(F)F" . "SXHQLPHDBLTFPM-UHFFFAOYSA-N" . "InChI=1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2" . "O=C(n1cncn1)N1CCC(CC1)C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2" . "O=C(n1cncn1)N1CCC(CC1)C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2" . "CLSNATLUIXZPMV-UHFFFAOYSA-N" . "InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2" . "O=C(N(Cc1cccc(c1)c1ccccc1)C)Oc1cccc(c1)c1ccc(cc1)C(=O)N" . "O=C(N(Cc1cccc(c1)c1ccccc1)C)Oc1cccc(c1)c1ccc(cc1)C(=O)N" . "QKMMESWNJMOPIF-UHFFFAOYSA-N" . "InChI=1S/C28H24N2O3/c1-30(19-20-7-5-10-24(17-20)21-8-3-2-4-9-21)28(32)33-26-12-6-11-25(18-26)22-13-15-23(16-14-22)27(29)31/h2-18H,19H2,1H3,(H2,29,31)" . "OC(=O)CCNC(=O)c1ccc(cc1)C(Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F" . "OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F" . "FASLTMSUPQDLIB-MHZLTWQESA-N" . "InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1" . "COc1cc2c(NC3CCCCCC3)nc(nc2cc1OC)N1CCC(CC1)N1CCCCC1" . "COc1cc2c(NC3CCCCCC3)nc(nc2cc1OC)N1CCC(CC1)N1CCCCC1" . "WYVBISCFCHREDA-UHFFFAOYSA-N" . "InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)" . "CC(=O)OCC(=O)C12N=C(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C" . "CC(=O)OCC(=O)[C@@]12N=C(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C" . "FBHSPRKOSMHSIF-GRMWVWQJSA-N" . "InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1" . "N#Cc1ccc(cc1OCC(CNC(CC1Cc2c(C1)cccc2)(C)C)O)CCC(=O)O" . "N#Cc1ccc(cc1OC[C@@H](CNC(CC1Cc2c(C1)cccc2)(C)C)O)CCC(=O)O" . "NJBFJCJKWWIKRD-HSZRJFAPSA-N" . "InChI=1S/C26H32N2O4/c1-26(2,14-19-11-20-5-3-4-6-21(20)12-19)28-16-23(29)17-32-24-13-18(8-10-25(30)31)7-9-22(24)15-27/h3-7,9,13,19,23,28-29H,8,10-12,14,16-17H2,1-2H3,(H,30,31)/t23-/m1/s1" . "C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccccc1)c1ccc(cc1)C(C)C" . "C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccccc1)c1ccc(cc1)C(C)C" . "WXYYACUWOMKZQC-UHFFFAOYSA-N" . "InChI=1S/C27H24N2O2/c1-4-16-31-23-14-15-25-24(17-23)26(22-12-10-21(11-13-22)19(2)3)28-27(30)29(25)18-20-8-6-5-7-9-20/h1,5-15,17,19H,16,18H2,2-3H3" . "OC(CNC(Cc1ccc(c(c1)F)Cl)(C)C)COC(c1ccccc1c1ccc(c(c1)C)C(=O)O)C" . "O[C@H](CNC(Cc1ccc(c(c1)F)Cl)(C)C)CO[C@@H](c1ccccc1c1ccc(c(c1)C)C(=O)O)C" . "UNFHDRVFEQPUEL-DENIHFKCSA-N" . "InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1" . "OC(COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C" . "O[C@@H](COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C" . "FQJISUPNMFRIFZ-HXUWFJFHSA-N" . "InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1" . "O=C(COc1ccc(cc1)C1=[N+]2C(=Cc3n([B-]2(F)F)c(cc3)c2cccs2)C=C1)NCCCCCNC(=O)C1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)C(C(C1O)O)O" . "O=C(COc1ccc(cc1)C1=[N+]2C(=Cc3n([B-]2(F)F)c(cc3)c2cccs2)C=C1)NCCCCCNC(=O)[C@H]1O[C@H](OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O" . "DXQJLXWZLNCEJX-VBCGWZPHSA-N" . "InChI=1S/C41H47BF2N6O19P2S/c43-42(44)49-23(19-24-9-13-27(50(24)42)29-5-4-18-72-29)8-12-26(49)22-6-10-25(11-7-22)64-21-31(52)45-15-2-1-3-16-46-38(58)37-34(55)33(54)36(57)40(67-37)68-71(62,63)69-70(60,61)65-20-28-32(53)35(56)39(66-28)48-17-14-30(51)47-41(48)59/h4-14,17-19,28,32-37,39-40,53-57H,1-3,15-16,20-21H2,(H,45,52)(H,46,58)(H,60,61)(H,62,63)(H,47,51,59)/t28?,32?,33-,34-,35?,36+,37-,39?,40+/m0/s1" . "O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O" . "O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O" . "FMXSYRBHGUMFBA-UHFFFAOYSA-N" . "InChI=1S/C62H58F3N7O12S2/c63-62(64,65)44-16-12-37(13-17-44)40-14-18-46-42(31-40)32-43(60(74)75)34-50(46)39-10-8-36(9-11-39)38-24-29-71(30-25-38)27-6-3-7-45-35-72(70-69-45)28-5-2-1-4-26-68-59(73)41-15-19-47(51(33-41)61(76)77)54-48-20-22-52(66)57(85(78,79)80)55(48)84-56-49(54)21-23-53(67)58(56)86(81,82)83/h8-23,31-35,38,66H,1-7,24-30,67H2,(H,68,73)(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)" . "CN1CCN(CC1)C(=O)c1cccc(c1OC(C)C)NC(=O)c1csc2c1nc[nH]c2=O" . "CN1CCN(CC1)C(=O)c1cccc(c1OC(C)C)NC(=O)c1csc2c1nc[nH]c2=O" . "MJJJFOLDERHCND-UHFFFAOYSA-N" . "InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)" . "O=C1NC(C)(C)N(c2c1ccc(c2)n1c(=O)[nH]c2c1cccn2)C(c1ccccc1)C" . "O=C1NC(C)(C)N(c2c1ccc(c2)n1c(=O)[nH]c2c1cccn2)[C@@H](c1ccccc1)C" . "WNYKGJHEQVIFGL-OAHLLOKOSA-N" . "InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1" . "O=C(COc1ccc(cc1)CCCONc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)NCCc1nnn(c1)CCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)C=Cc1ccc2n1[B-](F)(F)[N+]1=C(C=CC1=C2)c1cccs1" . "O=C(COc1ccc(cc1)CCCONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)NCCc1nnn(c1)CCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)/C=C/c1ccc2n1[B-](F)(F)[N+]1=C(C=CC1=C2)c1cccs1" . "IKFGJXBDIZQEHP-NJFIWEGUSA-N" . "InChI=1S/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/m1/s1" . "COc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O" . "COc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O" . "MURCBJRRFKMCAT-UHFFFAOYSA-N" . "InChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)" . "COc1ccc(cn1)N(S(=O)(=O)c1ccccc1C)CC(=O)N(Cc1cccnc1)CC" . "CCN(C(=O)CN(S(=O)(=O)c1ccccc1C)c1ccc(nc1)OC([3H])([3H])[3H])Cc1ccc(nc1)[3H]" . "KJPHTXTWFHVJIG-MJVMYBOOSA-N" . "InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3/i3T3,13T" . "O=C(C1CCCCC1)Nc1cc(Nc2ccc(c(c2)Cl)Cl)nc2c1cccc2" . "O=C(C1CCCCC1)Nc1cc(Nc2ccc(c(c2)Cl)Cl)nc2c1cccc2" . "UWEIQVQNNLVOEI-UHFFFAOYSA-N" . "InChI=1S/C22H21Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28)" . "CNC(=O)C(N1CCc2c(C1CCc1ccc(nc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(nc1[3H])C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1[3H]" . "FIINKDGVMNTVCW-UCOREUHWSA-N" . "InChI=1S/C28H30F3N3O3/c1-32-27(35)26(19-7-5-4-6-8-19)34-14-13-20-15-23(36-2)24(37-3)16-21(20)22(34)11-9-18-10-12-25(33-17-18)28(29,30)31/h4-8,10,12,15-17,22,26H,9,11,13-14H2,1-3H3,(H,32,35)/t22-,26+/m0/s1/i7T,17T" . "CNC(=O)C(N1CCc2c(C1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "CNC(=O)[C@@H](c1c([3H])cccc1[3H])N1CCc2c([C@@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC" . "DKMACHNQISHMDN-AJYYXEBVSA-N" . "InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1/i7T,8T" . "C#CCC(C=CC=CC#CC(CCCC(=O)OC(C)C)O)O" . "C#CC[C@H](/C=C/C=C/C#C[C@H](CCCC(=O)OC(C)C)O)O" . "ZVOCIIHCJJEFRQ-BHXBHYJPSA-N" . "InChI=1S/C18H24O4/c1-4-10-16(19)11-7-5-6-8-12-17(20)13-9-14-18(21)22-15(2)3/h1,5-7,11,15-17,19-20H,9-10,13-14H2,2-3H3/b6-5+,11-7+/t16-,17-/m1/s1" . "OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C" . "OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C" . "NKQHBJNRBKHUQR-UHFFFAOYSA-N" . "InChI=1S/C22H23ClF2N4O2S/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3" . "CC(=O)NC(C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2" . "CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2" . "BYYQYXVAWXAYQC-IBGZPJMESA-N" . "InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1" . "Brc1cccc(c1)C(=NNC(=O)C1C(=O)NCC1c1ccccc1)C" . "Brc1cccc(c1)/C(=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)/C" . "RQKXQCSEZPQBNZ-QSBCOWLBSA-N" . "InChI=1S/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/m0/s1" . "OCc1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]" . "OCc1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]" . "GNJUKVGDCUKDLF-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3" . "COC(=O)C(c1ccccc1)C1CCCCN1" . "COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1" . "DUGOZIWVEXMGBE-CHWSQXEVSA-N" . "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1" . "CCOC(=O)c1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1" . "CCOC(=O)c1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1" . "LPROLPQTWKDPNU-UHFFFAOYSA-N" . "InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3" . "O=C(C1C(=O)NCC1c1ccccc1)NN=C(c1cccs1)C" . "O=C([C@@H]1C(=O)NC[C@H]1c1ccccc1)N/N=C(/c1cccs1)/C" . "GNFXCDMTRHENBV-CJINARDKSA-N" . "InChI=1S/C17H17N3O2S/c1-11(14-8-5-9-23-14)19-20-17(22)15-13(10-18-16(15)21)12-6-3-2-4-7-12/h2-9,13,15H,10H2,1H3,(H,18,21)(H,20,22)/b19-11+/t13-,15-/m0/s1" . "Brc1cccc(c1)C(=NNC(=O)C(c1n[nH]c(=O)c2c1cccc2)NC(=O)c1ccccc1)C" . "Brc1cccc(c1)/C(=N/NC(=O)C(c1n[nH]c(=O)c2c1cccc2)NC(=O)c1ccccc1)/C" . "UCUHFWIFSHROPY-RWPZCVJISA-N" . "InChI=1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+" . "CC(=CCOc1cc(nc2c1cccc2OCC=C(C)C)C(=O)OCC=C(C)C)C" . "CC(=CCOc1cc(nc2c1cccc2OCC=C(C)C)C(=O)OCC=C(C)C)C" . "APPXFGJVXDYNBO-UHFFFAOYSA-N" . "InChI=1S/C25H31NO4/c1-17(2)10-13-28-22-9-7-8-20-23(29-14-11-18(3)4)16-21(26-24(20)22)25(27)30-15-12-19(5)6/h7-12,16H,13-15H2,1-6H3" . "CC(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)CCCN1CCCCC1" . "C[C@H](c1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)CCCN1CCCCC1" . "QCZKLPFIGVYGPA-CQSZACIVSA-N" . "InChI=1S/C18H25F3N2O4S/c1-14(22-17(24)6-5-13-23-11-3-2-4-12-23)15-7-9-16(10-8-15)27-28(25,26)18(19,20)21/h7-10,14H,2-6,11-13H2,1H3,(H,22,24)/t14-/m1/s1" . "O=C(C1CCCN(C1c1ccc(cc1)NC1CCCC1)C(=O)c1c(C)cccc1F)Nc1ccc(c(c1)C(F)(F)F)C" . "O=C([C@H]1CCCN([C@H]1c1ccc(cc1)NC1CCCC1)C(=O)c1c(C)cccc1F)Nc1ccc(c(c1)C(F)(F)F)C" . "PUKBOVABABRILL-YZNIXAGQSA-N" . "InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1" . "CC(CC(c1occ(n1)C(=O)NC(C(=O)O)CCCN=C(N)N)NC(=O)c1c[nH]c2c1cccc2)C" . "CC(C[C@@H](c1occ(n1)C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)c1c[nH]c2c1cccc2)C" . "WGEOKEOSKNNXJR-ROUUACIJSA-N" . "InChI=1S/C24H31N7O5/c1-13(2)10-18(30-20(32)15-11-28-16-7-4-3-6-14(15)16)22-31-19(12-36-22)21(33)29-17(23(34)35)8-5-9-27-24(25)26/h3-4,6-7,11-13,17-18,28H,5,8-10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)(H4,25,26,27)/t17-,18-/m0/s1" . "CCC(n1c(Cc2cccs2)nc2c1ccc(c2)C(=O)NC(CC(=O)O)CC(C)C)CC" . "CCC(n1c(Cc2cccs2)nc2c1ccc(c2)C(=O)N[C@H](CC(=O)O)CC(C)C)CC" . "VCQKKZXFASLXAH-SFHVURJKSA-N" . "InChI=1S/C25H33N3O3S/c1-5-19(6-2)28-22-10-9-17(25(31)26-18(12-16(3)4)14-24(29)30)13-21(22)27-23(28)15-20-8-7-11-32-20/h7-11,13,16,18-19H,5-6,12,14-15H2,1-4H3,(H,26,31)(H,29,30)/t18-/m0/s1" . "Clc1ccc(cc1Cl)Nc1nc2ccccc2c2c1[nH]c(n2)C1CCCCC1" . "Clc1ccc(cc1Cl)Nc1nc2ccccc2c2c1[nH]c(n2)C1CCCCC1" . "UWJVRSIGHHSDSJ-UHFFFAOYSA-N" . "InChI=1S/C22H20Cl2N4/c23-16-11-10-14(12-17(16)24)25-22-20-19(15-8-4-5-9-18(15)26-22)27-21(28-20)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H,27,28)" . "Nc1sc(c(c1C(=O)c1cccc(c1)C(F)(F)F)C)C" . "Nc1sc(c(c1C(=O)c1cccc(c1)C(F)(F)F)C)C" . "KKDKAWKYGCUOGR-UHFFFAOYSA-N" . "InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3" . "O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1" . "O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1" . "JJZFWROHYSMCMU-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2" . "CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C" . "CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C" . "BSGIKRCNMBTGEB-UHFFFAOYSA-N" . "InChI=1S/C22H25BrN4O/c1-14-11-27(13-16-6-5-15(7-18(14)16)12-25(2)3)22(28)19-8-17-9-21(23)24-10-20(17)26(19)4/h5-10,14H,11-13H2,1-4H3" . "NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CS)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(N)C)CS)Cc1ccccc1" . "NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CS)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CS)Cc1ccccc1" . "AJUZRHILBXDUEG-LSKWFVNGSA-N" . "InChI=1S/C48H64N10O10S2/c1-26(2)40(48(67)68)58-47(66)39(25-70)57-44(63)36(21-29-15-17-31(59)18-16-29)53-42(61)34(14-9-19-49)52-45(64)37(22-30-23-51-33-13-8-7-12-32(30)33)55-43(62)35(20-28-10-5-4-6-11-28)54-46(65)38(24-69)56-41(60)27(3)50/h4-8,10-13,15-18,23,26-27,34-40,51,59,69-70H,9,14,19-22,24-25,49-50H2,1-3H3,(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,60)(H,57,63)(H,58,66)(H,67,68)/t27-,34-,35-,36-,37-,38-,39-,40-/m0/s1" . "CCN1CCN(CC1)c1cccc2c1CN(C2=O)C(c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1" . "CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1" . "MWCLCGKVMLYVJI-RUZDIDTESA-N" . "InChI=1S/C30H38N4O5S2/c1-4-32-15-17-33(18-16-32)26-9-5-8-23-24(26)21-34(30(23)35)25(22-12-13-27(38-2)28(20-22)39-3)10-6-14-31-41(36,37)29-11-7-19-40-29/h5,7-9,11-13,19-20,25,31H,4,6,10,14-18,21H2,1-3H3/t25-/m1/s1" . "CCc1cc(O)c(cc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)CCN(C2)C(=O)c1cnc(cn1)N1CCCCC1)F" . "CCc1cc(O)c(cc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)CCN(C2)C(=O)c1cnc(cn1)N1CCCCC1)F" . "XDJGNPSZQSWJCV-UHFFFAOYSA-N" . "InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)" . "Clc1ccc(c(c1)F)N1C(C2CCCCC2)C(=C(C1=O)O)C(=O)C" . "Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C" . "VQNLJXWZGVRLBA-MRXNPFEDSA-N" . "InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1" . "CCCC1CC(CCC1N1CCC(C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C" . "CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C" . "NUJWKQSEJDYCDB-GNRVTEMESA-N" . "InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1" . "Nc1ncccc1c1nc2c(n1c1ccc(cc1)C1(N)CCC1)nc(cc2)c1ccccc1" . "Nc1ncccc1c1nc2c(n1c1ccc(cc1)C1(N)CCC1)nc(cc2)c1ccccc1" . "HNFMVVHMKGFCMB-UHFFFAOYSA-N" . "InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)" . "CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC" . "CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC" . "BALLNEJQLSTPIO-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)" . "COc1cc(ccc1Nc1nc2n(n1)cc(cc2)c1ccc(cc1)NC(=O)C(c1ccc(cc1)F)C)S(=O)(=O)C" . "COc1cc(ccc1Nc1nc2n(n1)cc(cc2)c1ccc(cc1)NC(=O)[C@@H](c1ccc(cc1)F)C)S(=O)(=O)C" . "NRJKIOCCERLIDG-GOSISDBHSA-N" . "InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1" . "ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1" . "ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1" . "VLIUIBXPEDFJRF-UHFFFAOYSA-N" . "InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)" . "CC(N1CCN(CC1)Cc1cnc(o1)c1cc(cc2c1cn[nH]2)c1cccc2c1cc[nH]2)C" . "CC(N1CCN(CC1)Cc1cnc(o1)c1cc(cc2c1cn[nH]2)c1cccc2c1cc[nH]2)C" . "MCIDWGZGWVSZMK-UHFFFAOYSA-N" . "InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)" . "CCC(=O)N1CCC(C1)Nc1ncnc2c1CN(CC2)c1cnc(c(c1)C(F)(F)F)OC" . "CCC(=O)N1CC[C@@H](C1)Nc1ncnc2c1CN(CC2)c1cnc(c(c1)C(F)(F)F)OC" . "MWKYMZXCGYXLPL-ZDUSSCGKSA-N" . "InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1" . "Clc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)c1cnc2c(n1)n[nH]c2N)F" . "Clc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)c1cnc2c(n1)n[nH]c2N)F" . "DDKHTWASHUKHLD-UHFFFAOYSA-N" . "InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)" . "O=C1OC(=NC1=Cc1cccnc1)c1ccc(c(c1)C)Br" . "O=C1OC(=N/C/1=C/c1cccnc1)c1ccc(c(c1)C)Br" . "AIDLMCGWDDGYCV-RIYZIHGNSA-N" . "InChI=1S/C16H11BrN2O2/c1-10-7-12(4-5-13(10)17)15-19-14(16(20)21-15)8-11-3-2-6-18-9-11/h2-9H,1H3/b14-8+" . "OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C" . "OC(=O)[C@H](c1ccc(c(c1)F)c1ccccc1)C" . "SYTBZMRGLBWNTM-JTQLQIEISA-N" . "InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1" . "O=C(C(C)(C)C)C(=Cc1cccc(c1)[N+](=O)[O-])n1cncn1" . "O=C(C(C)(C)C)/C(=C/c1cccc(c1)[N+](=O)[O-])/n1cncn1" . "VKSOIYNNOFGGES-JYRVWZFOSA-N" . "InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8-" . "COCCOC1C(OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2O)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cc(C)c(nc2=O)N)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)C(OC1n1cnc2c1ncnc2N)COP(=O)(OC1C(COP(=O)(OC2C(COP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5C(COP(=O)(OC6C(COP(=O)(OC7C(COP(=O)(OC8C(CO)OC(C8OCCOC)n8cc(C)c(=O)[nH]c8=O)S)OC(C7OCCOC)n7cc(C)c(nc7=O)N)S)OC(C6OCCOC)n6cnc7c6ncnc7N)S)OC(C5OCCOC)n5cc(C)c(nc5=O)N)S)OC(C4OCCOC)n4cc(C)c(=O)[nH]c4=O)S)OC(C3OCCOC)n3cc(C)c(=O)[nH]c3=O)S)OC(C2OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OC(C1OCCOC)n1cc(C)c(nc1=O)N)S" . "COCCO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cc(C)c(nc2=O)N)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O[C@@H]1[C@@H](COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@@H]3[C@@H](COP(=O)(O[C@@H]4[C@@H](COP(=O)(O[C@@H]5[C@@H](COP(=O)(O[C@@H]6[C@@H](COP(=O)(O[C@@H]7[C@@H](COP(=O)(O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8OCCOC)n8cc(C)c(=O)[nH]c8=O)S)O[C@H]([C@@H]7OCCOC)n7cc(C)c(nc7=O)N)S)O[C@H]([C@@H]6OCCOC)n6cnc7c6ncnc7N)S)O[C@H]([C@@H]5OCCOC)n5cc(C)c(nc5=O)N)S)O[C@H]([C@@H]4OCCOC)n4cc(C)c(=O)[nH]c4=O)S)O[C@H]([C@@H]3OCCOC)n3cc(C)c(=O)[nH]c3=O)S)O[C@H]([C@@H]2OCCOC)n2cc(C)c(=O)[nH]c2=O)S)O[C@H]([C@@H]1OCCOC)n1cc(C)c(nc1=O)N)S" . "WWFDJIVIDXJAQR-FFWSQMGZSA-N" . "OCC(C1OC(=O)C(=O)C1=O)O" . "OC[C@@H]([C@H]1OC(=O)C(=O)C1=O)O" . "SBJKKFFYIZUCET-JLAZNSOCSA-N" . "InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1" . "O=C(Nc1ccc(cc1Cl)Br)NC1COC(OC1c1ccccc1)(C)C" . "O=C(Nc1ccc(cc1Cl)Br)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C" . "HHNAHVCOGFTMSQ-IRXDYDNUSA-N" . "InChI=1S/C19H20BrClN2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1" . "C=CC(=O)N1CCC(=Cc2ccc(c(c2)[N+](=O)[O-])F)C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])F)C1" . "C=CC(=O)N1CC/C(=C/c2ccc(c(c2)[N+](=O)[O-])F)/C(=O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])F)/C1" . "SCKXBVLYWLLALY-CQRYCMKKSA-N" . "InChI=1S/C23H17F2N3O6/c1-2-22(29)26-8-7-16(9-14-3-5-18(24)20(11-14)27(31)32)23(30)17(13-26)10-15-4-6-19(25)21(12-15)28(33)34/h2-6,9-12H,1,7-8,13H2/b16-9-,17-10-" . "CCCN(C1CCc2c(C1)cc(cc2)O)CCC" . "CCCN(C1CCc2c(C1)cc(cc2)O)CCC" . "BLYMJBIZMIGWFK-UHFFFAOYSA-N" . "InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3" . "N#CC(Cc1ccc(cc1)c1ccc2c(c1)n(C)c(=O)o2)NC(=O)C1CNCCCO1" . "N#C[C@H](Cc1ccc(cc1)c1ccc2c(c1)n(C)c(=O)o2)NC(=O)[C@@H]1CNCCCO1" . "AEXFXNFMSAAELR-RXVVDRJESA-N" . "InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1" . "CN(CC=CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)C" . "CN(C/C=C/C(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)C" . "QBACGOWRJDBXSG-ONEGZZNKSA-N" . "InChI=1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+" . "O=C(Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)C=CC[N+](Cc1n(C)cnc1[N+](=O)[O-])(C)C" . "O=C(Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)/C=C/C[N+](Cc1n(C)cnc1[N+](=O)[O-])(C)C" . "MUJMYVFVAWFUJL-SNAWJCMRSA-O" . "InChI=1S/C24H23BrClN9O3/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36)/p+1/b5-4+" . "CCc1c(ccc(c1C)O)C(=O)NNC(=O)C(c1cc(F)cc(c1)F)O" . "CCc1c(ccc(c1C)O)C(=O)NNC(=O)C(c1cc(F)cc(c1)F)O" . "SSNAPUUWBPZGOY-UHFFFAOYSA-N" . "InChI=1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)" . "COc1cc(ccc1Nc1ncc(c(n1)NC)Cl)C(=O)N1CCOCC1" . "COc1cc(ccc1Nc1ncc(c(n1)NC)Cl)C(=O)N1CCOCC1" . "YEVOZZZLKJKCCD-UHFFFAOYSA-N" . "InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "XVBGRTMNFNMINE-UHFFFAOYSA-N" . "InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)" . "NCCCCCCNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "NCCCCCCNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "DNYBIOICMDTDAP-UHFFFAOYSA-N" . "InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)" . "Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C" . "Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C" . "PBBRWFOVCUAONR-UHFFFAOYSA-N" . "InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC(C(=O)N2C)(F)F)C1CCCC1)C(=O)NC1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC(C(=O)N2C)(F)F)C1CCCC1)C(=O)NC1CCN(CC1)C" . "DJNZZLZKAXGMMC-UHFFFAOYSA-N" . "InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)" . "CN(CCCc1cnc(c(c1)Nc1ncc2c(n1)c1ccc(cc1NC(=S)C2)C(F)(F)F)C)C" . "CN(CCCc1cnc(c(c1)Nc1ncc2c(n1)c1ccc(cc1NC(=S)C2)C(F)(F)F)C)C" . "CODBZFJPKJDNDT-UHFFFAOYSA-N" . "InChI=1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32)" . "CCc1cccc(c1NC(=O)c1nn(c2c1CCc1c2nc(nc1)Nc1ccc(cc1OC(F)(F)F)C(=O)NC1CCN(CC1)C)C)CC" . "CCc1cccc(c1NC(=O)c1nn(c2c1CCc1c2nc(nc1)Nc1ccc(cc1OC(F)(F)F)C(=O)NC1CCN(CC1)C)C)CC" . "JFOAJUGFHDCBJJ-UHFFFAOYSA-N" . "InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)" . "COc1c(C)cnc(c1C)Cn1cnc2c1nc(N)nc2Cl" . "COc1c(C)cnc(c1C)Cn1cnc2c1nc(N)nc2Cl" . "QULDDKSCVCJTPV-UHFFFAOYSA-N" . "InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)" . "COc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C)OC1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C)OC1CCN(CC1)C" . "YUKWVHPTFRQHMF-UHFFFAOYSA-N" . "InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)" . "Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2c(n1)nc[nH]2)N1CCOCC1" . "Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2c(n1)nc[nH]2)N1CCOCC1" . "OVJBNYKNHXJGSA-UHFFFAOYSA-N" . "InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)" . "CN1CCN(CC1)c1ncc(c(c1)C(=O)Nc1ccc2c(c1)c1c(CC2)c(nn1c1ccc(cc1)F)C(=O)N)Cl" . "CN1CCN(CC1)c1ncc(c(c1)C(=O)Nc1ccc2c(c1)c1c(CC2)c(nn1c1ccc(cc1)F)C(=O)N)Cl" . "ZLEZHGHFWIHCGU-UHFFFAOYSA-N" . "InChI=1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40)" . "O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl" . "O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl" . "FAYAUAZLLLJJGH-UHFFFAOYSA-N" . "InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)" . "COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "IWMCPJZTADUIFX-UHFFFAOYSA-N" . "InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)" . "OCC1OC2(OCc3c2cc(cc3)Cc2ccc(cc2)CC)C(C(C1O)O)O" . "OC[C@H]1O[C@]2(OCc3c2cc(cc3)Cc2ccc(cc2)CC)[C@@H]([C@H]([C@@H]1O)O)O" . "VWVKUNOPTJGDOB-BDHVOXNPSA-N" . "InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1" . "OCC1OC(c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)[C@@H]([C@H]([C@@H]1O)O)O" . "AHFWIQIYAXSLBA-RQXATKFSSA-N" . "InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1" . "N#CC(n1nc(c(c1)Nc1ncc(c(n1)NC)C(F)(F)F)C)(C)C" . "N#CC(n1nc(c(c1)Nc1ncc(c(n1)NC)C(F)(F)F)C)(C)C" . "ZPPUMAMZIMPJGP-UHFFFAOYSA-N" . "InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)" . "CN(CC=CC(=O)N(C1CC2C(CC1F)N=C(c1n2cnc1)Nc1ccccc1C)C)C" . "CN(C/C=C/C(=O)N(C1CC2C(CC1F)N=C(c1n2cnc1)Nc1ccccc1C)C)C" . "KJDBCEWMSRFWQY-JXMROGBWSA-N" . "InChI=1S/C24H31FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,14-15,17,19-21H,11-13H2,1-4H3,(H,27,28)/b10-7+" . "CC1COCCN1c1cc(nc(n1)c1ccnc2c1cc[nH]2)C1(CC1)S(=O)(=N)C" . "C[C@@H]1COCCN1c1cc(nc(n1)c1ccnc2c1cc[nH]2)C1(CC1)[S@@](=O)(=N)C" . "OHUHVTCQTUDPIJ-JYCIKRDWSA-N" . "InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1" . "O=NC1=c2ccc(=c3nc([nH]c3=c3cc[nH]cc3)c3ccc(cc3)OCCN(C)C)cc2CC1" . "O=NC1=c2cc/c(=c/3/nc([nH]c3=c3cc[nH]cc3)c3ccc(cc3)OCCN(C)C)/cc2CC1" . "DPCXEUSDRQOOGZ-YYADALCUSA-N" . "InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,28H,6,10,15-16H2,1-2H3,(H,29,30)/b26-21+" . "NC1COCCC1Nc1ncc(c(n1)Nc1ccc(cc1)C)C(=O)N" . "N[C@@H]1COCC[C@@H]1Nc1ncc(c(n1)Nc1ccc(cc1)C)C(=O)N" . "KBPYMFSSFLOJPH-KGLIPLIRSA-N" . "InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m1/s1" . "CN1CCN(CC1)c1cccc(c1)Nc1nn2c(n1)c(ccc2)c1ccc(cc1)S(=O)(=O)C" . "CN1CCN(CC1)c1cccc(c1)Nc1nn2c(n1)c(ccc2)c1ccc(cc1)S(=O)(=O)C" . "RFZKSQIFOZZIAQ-UHFFFAOYSA-N" . "InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)" . "Clc1cccc(c1)C(CNC1=CC=NC(=O)C1=c1[nH]c2c([nH]1)cc(cc2C)N1CCOCC1)O" . "Clc1cccc(c1)C(CNC1=CC=NC(=O)C1=c1[nH]c2c([nH]1)cc(cc2C)N1CCOCC1)O" . "UGQMURPIMYALPH-UHFFFAOYSA-N" . "InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,28-30,32H,7-10,14H2,1H3" . "CC(NCCCn1c(Sc2cc(Cl)cc(c2)Cl)nc2c1ncnc2N)C" . "CC(NCCCn1c(Sc2cc(Cl)cc(c2)Cl)nc2c1ncnc2N)C" . "JYSLFQTWNRYWJT-UHFFFAOYSA-N" . "InChI=1S/C17H20Cl2N6S/c1-10(2)21-4-3-5-25-16-14(15(20)22-9-23-16)24-17(25)26-13-7-11(18)6-12(19)8-13/h6-10,21H,3-5H2,1-2H3,(H2,20,22,23)" . "O=C(c1sccc1NCc1ccnc2c1cccc2)Nc1ccc(cc1)OC(F)(F)F" . "O=C(c1sccc1NCc1ccnc2c1cccc2)Nc1ccc(cc1)OC(F)(F)F" . "FGTCROZDHDSNIO-UHFFFAOYSA-N" . "InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)" . "CNC(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCOCC1" . "CNC(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCOCC1" . "UYJNQQDJUOUFQJ-UHFFFAOYSA-N" . "InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)" . "O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F" . "O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F" . "MZDKLVOWGIOKTN-UHFFFAOYSA-N" . "InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)" . "CN(Cc1cccc(c1)NC(=C1C(=O)Nc2c1ccc(c2)C(=O)N(C)C)c1ccccc1)C" . "CN(Cc1cccc(c1)N/C(=C/1/C(=O)Nc2c1ccc(c2)C(=O)N(C)C)/c1ccccc1)C" . "HOMJAAIVTDVQJA-IZHYLOQSSA-N" . "InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,28H,17H2,1-4H3,(H,29,32)/b25-24-" . "Nc1ncc(c(n1)CC1CC1)c1ccnc(n1)Nc1ccncc1" . "Nc1ncc(c(n1)CC1CC1)c1ccnc(n1)Nc1ccncc1" . "XXSDLQLNIVFIJI-UHFFFAOYSA-N" . "InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)" . "Clc1nccc(c1)Nc1nccc(n1)c1cnc(nc1CC1CC1)NCC(O)(C)C" . "Clc1nccc(c1)Nc1nccc(n1)c1cnc(nc1CC1CC1)NCC(O)(C)C" . "AWNXKZVIZARMME-UHFFFAOYSA-N" . "InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28)" . "Fc1cc(cc(c1)c1ccnc(n1)Nc1ccc(cc1)n1cnc(n1)N1CCOCC1)N1CCOCC1" . "Fc1cc(cc(c1)c1ccnc(n1)Nc1ccc(cc1)n1cnc(n1)N1CCOCC1)N1CCOCC1" . "AHMHIFXJPSHHPH-UHFFFAOYSA-N" . "InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)" . "Nc1ncnc2c1ncn2Cc1nc2cccc(c2c(=O)n1c1ccccc1C)C" . "Nc1ncnc2c1ncn2Cc1nc2cccc(c2c(=O)n1c1ccccc1C)C" . "GNWHRHGTIBRNSM-UHFFFAOYSA-N" . "InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)" . "OC(=O)C(Cc1cc(Cl)c(c(c1)Cl)OCc1cc(N)cc2c1oc(n2)c1ccccc1)N" . "OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)OCc1cc(N)cc2c1oc(n2)c1ccccc1)N" . "XNRZJPQTMQZBCE-SFHVURJKSA-N" . "InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1" . "OCC(c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1nc(ncc1C)Nc1ccc(cc1Cl)F" . "OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1nc(ncc1C)Nc1ccc(cc1Cl)F" . "WUTVMXLIGHTZJC-OAQYLSRUSA-N" . "InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1" . "[O-]C(=O)c1ccc2c(c1)nc(c1c2cnc(n1)NC1CC1)Nc1cccc(c1)C(F)(F)F" . "[O-]C(=O)c1ccc2c(c1)nc(c1c2cnc(n1)NC1CC1)Nc1cccc(c1)C(F)(F)F" . "UXZATHOFDZQOMY-UHFFFAOYSA-M" . "InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1" . "C#Cc1cccc(c1)Nc1nc2cc(ccc2c2c1ncnc2)C(=O)[O-]" . "C#Cc1cccc(c1)Nc1nc2cc(ccc2c2c1ncnc2)C(=O)[O-]" . "HJGFPNFAFSFDNN-UHFFFAOYSA-M" . "InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1" . "Brc1c(Br)c(Br)c2c(c1Br)n[nH]n2" . "Brc1c(Br)c(Br)c2c(c1Br)n[nH]n2" . "OMZYUVOATZSGJY-UHFFFAOYSA-N" . "InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)" . "Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCCCC1" . "Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCCCC1" . "WUDBUIUHVNECTM-UHFFFAOYSA-N" . "InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)" . "NC(=O)c1cc(nc(c1)c1ccnc(c1)NC1CCCCC1)N1CCNCC1" . "NC(=O)c1cc(nc(c1)c1ccnc(c1)NC1CCCCC1)N1CCNCC1" . "XNWDRALEEPGBHB-UHFFFAOYSA-N" . "InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)" . "Oc1cc2c3SCCNC(=O)c3sc2cc1" . "Oc1cc2c3SCCNC(=O)c3sc2cc1" . "DHUAGGSHTKPOHU-UHFFFAOYSA-N" . "InChI=1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)" . "CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)Nc2c1cc(Cl)cc2" . "CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)/C=C/1/C(=O)Nc2c1cc(Cl)cc2" . "KGBPLKOPSFDBOX-CJLVFECKSA-N" . "InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+" . "CC1CN(CC(C1O)N)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "C[C@H]1CN(C[C@H]([C@@H]1O)N)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "ODZZYKUYGVLOTQ-ONJZCGHCSA-N" . "InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1" . "COc1cc(ccc1C(=O)Nc1ccc2c(c1)CCNCC2)c1cn[nH]c1" . "COc1cc(ccc1C(=O)Nc1ccc2c(c1)CCNCC2)c1cn[nH]c1" . "GMZCYCKIXQZORP-UHFFFAOYSA-N" . "InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)" . "Clc1ccc2=NC(=O)C(=c3[nH]c4c([nH]3)cccc4)C(=c2c1)NC1CN2CCC1CC2" . "Clc1ccc2=NC(=O)C(=c3[nH]c4c([nH]3)cccc4)C(=c2c1)N[C@@H]1CN2CCC1CC2" . "VBIIUHUSFOLTIU-LJQANCHMSA-N" . "InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19,25-27H,7-10,12H2/t19-/m1/s1" . "NC(=Nc1onc(c1)C(c1ccc(c(c1)F)c1ccccc1)C)N1CCOCC1" . "N/C(=N/c1onc(c1)[C@H](c1ccc(c(c1)F)c1ccccc1)C)/N1CCOCC1" . "MYTIJGWONQOOLC-HNNXBMFYSA-N" . "InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25)/t15-/m0/s1" . "CO[C@@]12C=C[C@@]34[C@@]5([C@@H]1N[C@@H]([C@]2(C)C3)c1ccccc1)CCN([C@@H]4Cc1c5cc(O)cc1)C" . "CO[C@@]12C=C[C@@]34[C@@]5([C@@H]1N[C@@H]([C@]2(C)C3)c1ccccc1)CCN([C@@H]4Cc1c5cc(O)cc1)C" . "RGJHUVJQGAAZLK-GKTFKBBASA-N" . "InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1" . "CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)C(C(F)(F)F)(O)C)C" . "CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)[C@](C(F)(F)F)(O)C)C" . "DTDZLJHKVNTQGZ-GOSISDBHSA-N" . "InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1" . "COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC" . "COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC" . "IMXHGCRIEAKIBU-UHFFFAOYSA-N" . "InChI=1S/C24H29N7O5/c1-34-23(32)26-17-5-3-16(4-6-17)20-27-21(29-11-13-36-14-12-29)19-15-25-31(22(19)28-20)18-7-9-30(10-8-18)24(33)35-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,32)" . "NCC(=CF)COc1ccc(cc1)C(=O)NC(C)(C)C" . "NC/C(=C/F)/COc1ccc(cc1)C(=O)NC(C)(C)C" . "OWNSXNXYELKDSO-DHZHZOJOSA-N" . "InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/b11-8+" . "COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOCC1)N1CC(C)OC(C1)C" . "COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOCC1)N1C[C@H](C)O[C@@H](C1)C" . "RFSMUFRPPYDYRD-CALCHBBNSA-N" . "InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+" . "COc1cc2c(cc1OC)ncnc2n1nc(nc1N)c1ccccn1" . "COc1cc2c(cc1OC)ncnc2n1nc(nc1N)c1ccccn1" . "ILBRKJBKDGCSCB-UHFFFAOYSA-N" . "InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)" . "OCCCn1c(C(=O)CF)c(c2c1ncnc2N)c1ccc(cc1)C" . "OCCCn1c(C(=O)CF)c(c2c1ncnc2N)c1ccc(cc1)C" . "IKLGYJACVCXYIL-UHFFFAOYSA-N" . "InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)" . "CCC(c1cc(nc2c1c(N)c(s2)C(=O)N)N1CCC(CC1)S(=O)(=O)C)(F)F" . "CCC(c1cc(nc2c1c(N)c(s2)C(=O)N)N1CCC(CC1)S(=O)(=O)C)(F)F" . "IYHHRZBKXXKDDY-UHFFFAOYSA-N" . "InChI=1S/C17H22F2N4O3S2/c1-3-17(18,19)10-8-11(23-6-4-9(5-7-23)28(2,25)26)22-16-12(10)13(20)14(27-16)15(21)24/h8-9H,3-7,20H2,1-2H3,(H2,21,24)" . "O=C1NC(=C(C(C1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F)C" . "O=C1NC(=C(C(C1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F)C" . "OLIIUAHHAZEXEX-UHFFFAOYSA-N" . "InChI=1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)" . "N#Cc1ccnc(c1)Nc1cc(cc(n1)N1CCC(C1)(F)F)C1CCN(CC1)C1COC1" . "N#Cc1ccnc(c1)Nc1cc(cc(n1)N1CCC(C1)(F)F)C1CCN(CC1)C1COC1" . "RHFIAUKMKYHHFA-UHFFFAOYSA-N" . "InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)" . "NC(C(=O)O)CS" . "N[C@@H](C(=O)O)CS" . "XUJNEKJLAYXESH-UWTATZPHSA-N" . "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Oc1ccc2c(c1)CC(=O)N2)C" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Oc1ccc2c(c1)CC(=O)N2)C" . "AOZPVMOOEJAZGK-UHFFFAOYSA-N" . "InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38)" . "Clc1cncc(c1)CN1c2nc(cc(=O)n2CCC1C(F)(F)F)N1CCOCC1C" . "Clc1cncc(c1)CN1c2nc(cc(=O)n2CC[C@H]1C(F)(F)F)N1CCOC[C@H]1C" . "SPDQRCUBFSRAFI-DOMZBBRYSA-N" . "InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1" . "COc1ccc2c(c1)[nH]c1c2ccnc1C" . "COc1ccc2c(c1)[nH]c1c2ccnc1C" . "BXNJHAXVSOCGBA-UHFFFAOYSA-N" . "InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCCN)CCCCN)Cc1ccc(cc1)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)CCCCN)CCCCN)Cc1ccc(cc1)O" . "JPOKAKNGULMYHZ-UILVTTEASA-N" . "InChI=1S/C60H105N23O11/c61-27-5-1-13-41(49(66)86)76-51(88)45(17-10-32-74-59(69)70)79-53(90)46(18-11-33-75-60(71)72)81-57(94)48(35-37-21-25-39(85)26-22-37)83-55(92)44(16-4-8-30-64)80-56(93)47(34-36-19-23-38(84)24-20-36)82-54(91)43(15-3-7-29-63)78-52(89)42(14-2-6-28-62)77-50(87)40(65)12-9-31-73-58(67)68/h19-26,40-48,84-85H,1-18,27-35,61-65H2,(H2,66,86)(H,76,88)(H,77,87)(H,78,89)(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,83,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1" . "Oc1cc(ccc1Cl)c1nc([nH]c1c1ccncc1)c1ccccc1" . "Oc1cc(ccc1Cl)c1nc([nH]c1c1ccncc1)c1ccccc1" . "WXJLXRNWMLWVFB-UHFFFAOYSA-N" . "InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)" . "O=C(C(F)F)NCc1ccc(cc1)CN(C(=O)c1ccc(cc1O)O)c1ccc(cc1)c1nc(Cl)ncc1C" . "O=C(C(F)F)NCc1ccc(cc1)CN(C(=O)c1ccc(cc1O)O)c1ccc(cc1)c1nc(Cl)ncc1C" . "LCGNLQSOSJFLKR-UHFFFAOYSA-N" . "InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)" . "O=C1NN=C2N(C1C)c1cc(NC3(C)CNC3)c(cc1OC2)C(F)(F)F" . "O=C1NN=C2N([C@@H]1C)c1cc(NC3(C)CNC3)c(cc1OC2)C(F)(F)F" . "OUZPGLCFBNPQPF-MRVPVSSYSA-N" . "InChI=1S/C16H18F3N5O2/c1-8-14(25)23-22-13-5-26-12-3-9(16(17,18)19)10(4-11(12)24(8)13)21-15(2)6-20-7-15/h3-4,8,20-21H,5-7H2,1-2H3,(H,23,25)/t8-/m1/s1" . "COc1ccc2c(c1)ccc(c2)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C" . "COc1ccc2c(c1)ccc(c2)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C" . "SINQIEAULQKUPD-UHFFFAOYSA-N" . "InChI=1S/C26H21N3O2S/c1-31-22-8-5-19-15-21(4-3-20(19)16-22)25-24(17-11-13-27-14-12-17)28-26(29-25)18-6-9-23(10-7-18)32(2)30/h3-16H,1-2H3,(H,28,29)" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "GJKXGJCSJWBJEZ-XRSSZCMZSA-N" . "InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)C)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)C)CC(C)C)CCCN=C(N)N" . "QLGKMLRGKPKGKI-QWQCQAQZSA-N" . "InChI=1S/C56H78N16O12/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,1-4H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61)/t31-,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1" . "N#CC(=Cc1ccccc1Cl)C#N" . "N#CC(=Cc1ccccc1Cl)C#N" . "JJNZXLAFIPKXIG-UHFFFAOYSA-N" . "InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "DGCPIBPDYFLAAX-YTAGXALCSA-N" . "InChI=1S/C55H76N16O12/c1-4-59-53(82)44-12-8-20-71(44)54(83)38(11-7-19-60-55(56)57)66-49(78)39(21-30(2)3)65-46(75)27-62-47(76)40(22-31-13-15-34(73)16-14-31)67-52(81)43(28-72)70-50(79)41(23-32-25-61-36-10-6-5-9-35(32)36)68-51(80)42(24-33-26-58-29-63-33)69-48(77)37-17-18-45(74)64-37/h5-6,9-10,13-16,25-26,29-30,37-44,61,72-73H,4,7-8,11-12,17-24,27-28H2,1-3H3,(H,58,63)(H,59,82)(H,62,76)(H,64,74)(H,65,75)(H,66,78)(H,67,81)(H,68,80)(H,69,77)(H,70,79)(H4,56,57,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1" . "[O-][N+](=O)OCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "[O-][N+](=O)OCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "KXXKUWQMQUYUSE-UHFFFAOYSA-N" . "InChI=1S/C26H25Cl2N5O4/c1-18-24(26(34)30-31-14-4-2-5-15-31)29-32(23-13-12-21(27)17-22(23)28)25(18)20-10-8-19(9-11-20)7-3-6-16-37-33(35)36/h8-13,17H,2,4-6,14-16H2,1H3,(H,30,34)" . "O=C(C1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1" . "O=C([C@@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1" . "YSBGRVXJEMSEQY-DEOSSOPVSA-N" . "InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1" . "CCCC(C(C(=O)NCC(C)C)NCC(C(NC(=O)c1cccc(c1)C(=O)N(C(c1ccccc1)C)C)Cc1ccccc1)O)O" . "CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@H]([C@@H](NC(=O)c1cccc(c1)C(=O)N([C@@H](c1ccccc1)C)C)Cc1ccccc1)O)O" . "PHXSVGGLTIKXSW-GUZVZUIYSA-N" . "InChI=1S/C37H50N4O5/c1-6-14-32(42)34(36(45)39-23-25(2)3)38-24-33(43)31(21-27-15-9-7-10-16-27)40-35(44)29-19-13-20-30(22-29)37(46)41(5)26(4)28-17-11-8-12-18-28/h7-13,15-20,22,25-26,31-34,38,42-43H,6,14,21,23-24H2,1-5H3,(H,39,45)(H,40,44)/t26-,31+,32+,33-,34+/m1/s1" . "CCC(=O)NC(C(C(C)C)O)C(=O)OC(C1NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(=C)N(C)C(=O)C(OC(=O)C(C(OC(=O)C(N(C1=O)C)C(OC)C)C(C)C)NC(=O)C)Cc1ccccc1)C(C)C" . "CCC(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)O[C@@H]([C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@H](OC(=O)[C@H]([C@H](OC(=O)[C@@H](N(C1=O)C)[C@H](OC)C)C(C)C)NC(=O)C)Cc1ccccc1)C(C)C" . "IMXKHFILKMPFGB-ZWYWTTNJSA-N" . "InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1" . "CCCN=C1SC(=Cc2ccc(c(c2)Cl)OCC(CO)O)C(=O)N1c1ccccc1C" . "CCCN=C1S/C(=C/c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C" . "LPAUOXUZGSBGDU-ULCCENQXSA-N" . "InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1" . "COC(C1C(=O)OC(C)C(NC(=O)C)C(=O)OC(Cc2ccccc2)C(=O)N(C)C(=C)C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1C)C(C(C)C)OC(=O)C(C(C(C)C)O)NC(=O)C)C)C)C)C" . "CO[C@@H]([C@H]1C(=O)O[C@H](C)[C@H](NC(=O)C)C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)C(=C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1C)[C@@H](C(C)C)OC(=O)[C@H]([C@@H](C(C)C)O)NC(=O)C)C)C)C)C" . "QVYLWCAYZGFGNF-WBWCVGBTSA-N" . "InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1" . "NC(=N)NCCCC(C(=O)c1nc2c(s1)cccc2)NC(=O)C1CC(CN1C(=O)C)O" . "NC(=N)NCCC[C@@H](C(=O)c1nc2c(s1)cccc2)NC(=O)[C@@H]1C[C@H](CN1C(=O)C)O" . "VXDAVYUFYPFGDX-SNPRPXQTSA-N" . "InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(nc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(nc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C" . "LQTWDAYNGMMHLV-UHFFFAOYSA-N" . "InChI=1S/C30H38N8O2/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40)" . "OC(=O)CC1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1" . "OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1" . "MVGWUTBTXDYMND-QGZVFWFLSA-N" . "InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1" . "COc1ccc(cc1OC1CCCC1)C(c1ccccc1)Cc1ccncc1" . "COc1ccc(cc1OC1CCCC1)[C@@H](c1ccccc1)Cc1ccncc1" . "UTUUPXBCDMQYRR-HSZRJFAPSA-N" . "InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1" . "CC1CCn2c(C(=O)N(C1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c(c1ccc(cc1)C)c1c(c2=O)nccc1" . "C[C@@H]1CCn2c(C(=O)N(C1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c(c1ccc(cc1)C)c1c(c2=O)nccc1" . "LDXQLWNPGRANTO-GOSISDBHSA-N" . "InChI=1S/C30H25F6N3O2/c1-17-5-7-20(8-6-17)24-23-4-3-10-37-25(23)27(40)39-11-9-18(2)15-38(28(41)26(24)39)16-19-12-21(29(31,32)33)14-22(13-19)30(34,35)36/h3-8,10,12-14,18H,9,11,15-16H2,1-2H3/t18-/m1/s1" . "CCc1nc(c(s1)c1ccnc(c1)NC(=O)c1ccccc1)c1cccc(c1)C" . "CCc1nc(c(s1)c1ccnc(c1)NC(=O)c1ccccc1)c1cccc(c1)C" . "HEKAIDKUDLCBRU-UHFFFAOYSA-N" . "InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)" . "N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C" . "N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C" . "YYBOLPLTQDKXPM-UHFFFAOYSA-N" . "InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)" . "O=c1ccc2c([nH]1)c(O)ccc2C(CNCCCCCCOCC(c1ccccc1)(F)F)O" . "O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O" . "SFYAXIFVXBKRPK-QFIPXVFZSA-N" . "InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1" . "COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1cc(C)cc(c1)C" . "COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(c1)C" . "NHPQGZOBHSVTAQ-IBGZPJMESA-N" . "InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1" . "CC(C(c1ccc2c(c1)OCCO2)Oc1ccc2c(c1)cnn2c1cccc(c1)C(=O)NC1COCC1)NC(=O)C(F)(F)C" . "C[C@@H]([C@@H](c1ccc2c(c1)OCCO2)Oc1ccc2c(c1)cnn2c1cccc(c1)C(=O)N[C@H]1COCC1)NC(=O)C(F)(F)C" . "ZZWJKLGCDHYVMB-BWGXUDETSA-N" . "InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1" . "CN(c1[nH]c2c(n1)c(Br)c(c(c2Br)Br)Br)C" . "CN(c1[nH]c2c(n1)c(Br)c(c(c2Br)Br)Br)C" . "SLPJGDQJLTYWCI-UHFFFAOYSA-N" . "InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)" . "NCC(C(=O)Nc1ccc2c(c1)ccnc2)c1ccc(cc1)COC(=O)c1ccc(cc1C)C" . "NC[C@@H](C(=O)Nc1ccc2c(c1)ccnc2)c1ccc(cc1)COC(=O)c1ccc(cc1C)C" . "OURRXQUGYQRVML-AREMUKBSSA-N" . "InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1" . "CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)N" . "CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)N" . "JVCPIJKPAKAIIP-UHFFFAOYSA-N" . "InChI=1S/C19H30F3NO3/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3" . "O=C(c1ccc(c(c1)F)O)OCc1cccc(c1)COC(=O)c1ccc(c(c1)F)O" . "O=C(c1ccc(c(c1)F)O)OCc1cccc(c1)COC(=O)c1ccc(c(c1)F)O" . "XOZKRECPKXTNAK-UHFFFAOYSA-N" . "InChI=1S/C22H16F2O6/c23-17-9-15(4-6-19(17)25)21(27)29-11-13-2-1-3-14(8-13)12-30-22(28)16-5-7-20(26)18(24)10-16/h1-10,25-26H,11-12H2" . "Clc1ccc(cc1)Nc1nc(nc2c1ncn2C)n1nc(cc1C)C" . "Clc1ccc(cc1)Nc1nc(nc2c1ncn2C)n1nc(cc1C)C" . "DVQOPNIPUIOXHU-UHFFFAOYSA-N" . "InChI=1S/C17H16ClN7/c1-10-8-11(2)25(23-10)17-21-15(14-16(22-17)24(3)9-19-14)20-13-6-4-12(18)5-7-13/h4-9H,1-3H3,(H,20,21,22)" . "CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1)C(C)(C)C)C" . "CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1)C(C)(C)C)C" . "HJKSIPKXGWOSBM-UHFFFAOYSA-N" . "InChI=1S/C19H24N6O2/c1-13(27-15-8-6-14(7-9-15)19(2,3)4)16-10-11-20-18-23-17(24-25(16)18)21-12-22-26-5/h6-13H,1-5H3,(H,21,22,24)" . "CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1C)Cl)C" . "CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1C)Cl)C" . "OZWWQEQUDKBSCF-UHFFFAOYSA-N" . "InChI=1S/C16H17ClN6O2/c1-10-8-12(17)4-5-14(10)25-11(2)13-6-7-18-16-21-15(22-23(13)16)19-9-20-24-3/h4-9,11H,1-3H3,(H,19,20,22)" . "COc1ccccc1NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C" . "COc1ccccc1NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C" . "SAXGSDIZIYFNKD-UHFFFAOYSA-N" . "InChI=1S/C19H28N2O5/c1-19(2,3)26-18(23)21-11-9-14(10-12-21)13-25-17(22)20-15-7-5-6-8-16(15)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)" . "Nc1nc2c(s1)c1cc3ccccc3cc1cc2" . "Nc1nc2c(s1)c1cc3ccccc3cc1cc2" . "YKXKYTRQOWDNGL-UHFFFAOYSA-N" . "InChI=1S/C15H10N2S/c16-15-17-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)18-15/h1-8H,(H2,16,17)" . "Fc1ccc(cc1)n1c(C)nc(c1C)C#Cc1ccnc(c1)Cl" . "Fc1ccc(cc1)n1c(C)nc(c1C)C#Cc1ccnc(c1)Cl" . "UPZWINBEAHDTLA-UHFFFAOYSA-N" . "InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3" . "Cc1cc(C)nc(n1)N1CC2C(C1)CN(C2)C(=O)c1c(F)cccc1n1nccn1" . "Cc1cc(C)nc(n1)N1CC2C(C1)CN(C2)C(=O)c1c(F)cccc1n1nccn1" . "SQOCEMCKYDVLMM-UHFFFAOYSA-N" . "InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3" . "COc1nc(CNC(=O)c2cc(ncc2c2nccs2)c2cncc(c2)C)ccc1OC" . "COc1nc(CNC(=O)c2cc(ncc2c2nccs2)c2cncc(c2)C)ccc1OC" . "VSOUDUXMPUHJEU-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)" . "COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC" . "COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC" . "CKTWQGHVNRYNCM-UHFFFAOYSA-N" . "InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C" . "RHLMXWCISNJNDH-UHFFFAOYSA-N" . "InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37)" . "O=C(C1CC1(COc1cnc(nc1C)C)c1cccc(c1)F)Nc1ccc(cn1)F" . "O=C([C@@H]1C[C@@]1(COc1cnc(nc1C)C)c1cccc(c1)F)Nc1ccc(cn1)F" . "MUGXRYIUWFITCP-PGRDOPGGSA-N" . "InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1" . "CCC(=O)NCC1CCN(CC1)c1ccc(cc1C(F)(F)F)NC(=O)Nc1cccc(c1)Oc1cnc2c(c1)cc(c(c2)OC)OC" . "CCC(=O)NCC1CCN(CC1)c1ccc(cc1C(F)(F)F)NC(=O)Nc1cccc(c1)Oc1cnc2c(c1)cc(c(c2)OC)OC" . "QNWLWBMZIXFBPZ-UHFFFAOYSA-N" . "InChI=1S/C34H36F3N5O5/c1-4-32(43)39-19-21-10-12-42(13-11-21)29-9-8-24(17-27(29)34(35,36)37)41-33(44)40-23-6-5-7-25(16-23)47-26-14-22-15-30(45-2)31(46-3)18-28(22)38-20-26/h5-9,14-18,20-21H,4,10-13,19H2,1-3H3,(H,39,43)(H2,40,41,44)" . "CCOc1ccc(cc1)c1nc(C(=O)N)c2c(n1)n(c(=O)[nH]2)c1ccccc1OC" . "CCOc1ccc(cc1)c1nc(C(=O)N)c2c(n1)n(c(=O)[nH]2)c1ccccc1OC" . "FFKCRLSRMMVTAN-UHFFFAOYSA-N" . "InChI=1S/C21H19N5O4/c1-3-30-13-10-8-12(9-11-13)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)14-6-4-5-7-15(14)29-2/h4-11H,3H2,1-2H3,(H2,22,27)(H,24,28)" . "OCc1c(ccnc1N1CCn2c(C1=O)cc1c2CC(C1)(C)C)c1cc(Nc2ccc(cn2)N2CCN(CC2C)C2COC2)c(=O)n(c1)C" . "OCc1c(ccnc1N1CCn2c(C1=O)cc1c2CC(C1)(C)C)c1cc(Nc2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c(=O)n(c1)C" . "WNEODWDFDXWOLU-QHCPKHFHSA-N" . "InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1)c1nc(Nc2ccccc2)c2n(c1)ccn2" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1)c1nc(Nc2ccccc2)c2n(c1)ccn2" . "IJMHHZDBRUGXNO-UHFFFAOYSA-N" . "InChI=1S/C29H27N5O/c1-29(2,3)22-14-12-20(13-15-22)28(35)32-24-11-7-8-21(18-24)25-19-34-17-16-30-27(34)26(33-25)31-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,33)(H,32,35)" . "CC(CC(C(=O)NC(C=CS(=O)(=O)c1ccccc1)CCc1ccccc1)NC(=O)N1CCOCC1)C" . "CC(C[C@H](C(=O)N[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)NC(=O)N1CCOCC1)C" . "YUMYYTORLYHUFW-ZUDLOMHPSA-N" . "InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m1/s1" . "COC12CCC3(CC1C(C(CC)(C)C)(O)C)C14C2Oc2c4c(CC3N(CC1)CC1CC1)ccc2O" . "CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(CC)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O" . "HBENZIXOGRCSQN-VQWWACLZSA-N" . "InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1" . "CCc1cc(ccc1CN1CC(C1)C(=O)O)C(=NOCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)C" . "CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C" . "KIHYPELVXPAIDH-HNSNBQBZSA-N" . "InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+" . "CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CC=C2c2cccnc2)C)C1)C" . "CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C" . "UVIQSJCZCSLXRZ-UBUQANBQSA-N" . "InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1" . "Oc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C" . "Oc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C" . "JAQUASYNZVUNQP-PVAVHDDUSA-N" . "InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1" . "Fc1cc(cc(c1CNC1Cc2c(C1)cccc2)F)c1cccc(c1)c1ncn[nH]1" . "Fc1cc(cc(c1CNC1Cc2c(C1)cccc2)F)c1cccc(c1)c1ncn[nH]1" . "WIEDUMBCZQRGSY-UHFFFAOYSA-N" . "InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)" . "CC(Cc1cscc1)NC(=O)NCC(N(C)C)Cc1ccc(cc1)O" . "C[C@@H](Cc1cscc1)NC(=O)NC[C@@H](N(C)C)Cc1ccc(cc1)O" . "MEDBIJOVZJEMBI-YOEHRIQHSA-N" . "InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1" . "C=CC(=O)N1CCCC1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2c1ccc(c2)CNC(C(C)(C)C)C" . "C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2c1ccc(c2)CN[C@H](C(C)(C)C)C" . "NXTKFBGDLDPFLB-PKOBYXMFSA-N" . "InChI=1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,19,25,31H,1,7-8,13,15-16H2,2-5H3,(H,32,33,37)/t17-,19+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(C)C)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CS)C)CC(=O)O)CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(N)C)CCCCN)CC(=O)O)CCC(=O)O " . "CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(=O)O" . "MOZAQZCGIKWACU-VKDININFSA-N" . "InChI=1S/C97H146N28O36S/c1-48(2)79(96(160)161)123-91(155)60(35-51-15-6-5-7-16-51)119-93(157)66-20-13-33-124(66)73(133)45-104-68(128)40-106-85(149)64(46-126)121-89(153)62(38-77(140)141)114-72(132)44-109-84(148)57(27-29-75(136)137)117-92(156)65(47-162)122-81(145)50(4)110-87(151)61(37-76(138)139)113-71(131)43-107-82(146)54(19-12-32-103-97(101)102)115-86(150)55(17-8-10-30-98)111-69(129)42-108-83(147)56(26-28-74(134)135)116-90(154)63(39-78(142)143)120-94(158)67-21-14-34-125(67)95(159)58(18-9-11-31-99)118-88(152)59(36-52-22-24-53(127)25-23-52)112-70(130)41-105-80(144)49(3)100/h5-7,15-16,22-25,48-50,54-67,79,126-127,162H,8-14,17-21,26-47,98-100H2,1-4H3,(H,104,128)(H,105,144)(H,106,149)(H,107,146)(H,108,147)(H,109,148)(H,110,151)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,115,150)(H,116,154)(H,117,156)(H,118,152)(H,119,157)(H,120,158)(H,121,153)(H,122,145)(H,123,155)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,160,161)(H4,101,102,103)/t49-,50-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,79-/m0/s1" . "CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1ccc(cc1)F" . "CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F" . "SYSMVOANBVDZNG-LFYBBSHMSA-N" . "InChI=1S/C20H18FN5O3S3/c1-2-18-24-25-20(31-18)26-32(28,29)16-10-8-15(9-11-16)22-19(30)23-17(27)12-5-13-3-6-14(21)7-4-13/h3-12H,2H2,1H3,(H,25,26)(H2,22,23,27,30)/b12-5+" . "CN(C1CCCCC1N(C(=O)c1ccc(c(c1)Cl)Cl)C)C" . "CN([C@@H]1CCCC[C@H]1N(C(=O)c1ccc(c(c1)Cl)Cl)C)C" . "JGPNMZWFVRQNGU-HUUCEWRRSA-N" . "InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1" . "O=C1CCC(=C1)N1CC2C(C1)C(C(CC2)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F" . "O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F" . "FLNYCRJBCNNHRH-OIYLJQICSA-N" . "InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1" . "OC1CCN(C1)CC(N(C(=O)C(c1ccccc1)c1ccccc1)C)c1ccccc1" . "O[C@H]1CCN(C1)C[C@@H](N(C(=O)C(c1ccccc1)c1ccccc1)C)c1ccccc1" . "JHLHNYVMZCADTC-LOSJGSFVSA-N" . "InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1" . "O=c1oc2c(n1Cc1nnn(c1)c1ccccc1Cl)nccc2" . "O=c1oc2c(n1Cc1nnn(c1)c1ccccc1Cl)nccc2" . "DVUFHXDFLFFOFE-UHFFFAOYSA-N" . "InChI=1S/C15H10ClN5O2/c16-11-4-1-2-5-12(11)21-9-10(18-19-21)8-20-14-13(23-15(20)22)6-3-7-17-14/h1-7,9H,8H2" . "Clc1ccccc1C(=O)c1cccnc1c1nnn(c1c1ccncc1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "Clc1ccccc1C(=O)c1cccnc1c1nnn(c1c1ccncc1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "CAVRKWRKTNINFF-UHFFFAOYSA-N" . "InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2" . "Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C" . "Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C" . "FATGTHLOZSXOBC-UHFFFAOYSA-N" . "InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)" . "CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C" . "CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C" . "FCRFVPZAXGJLPW-UHFFFAOYSA-N" . "InChI=1S/C23H32N6/c1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18/h12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26)" . "C[NH+](c1ccc2c(c1)Sc1c(N2)ccc(c1)[NH+](C)C)C" . "C[NH+](c1ccc2c(c1)Sc1c(N2)ccc(c1)[NH+](C)C)C" . "QTWZICCBKBYHDM-UHFFFAOYSA-P" . "InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/p+2" . "COCCN(C1CCC(CC1)N(c1cc(C#CCN2CCOCC2)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)CC)C" . "COCCN(C1CCC(CC1)N(c1cc(C#CCN2CCOCC2)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)CC)C" . "XQFINGFCBFHOPE-UHFFFAOYSA-N" . "InChI=1S/C35H51N5O4/c1-7-40(30-12-10-29(11-13-30)38(5)15-18-43-6)33-23-28(9-8-14-39-16-19-44-20-17-39)22-31(27(33)4)34(41)36-24-32-25(2)21-26(3)37-35(32)42/h21-23,29-30H,7,10-20,24H2,1-6H3,(H,36,41)(H,37,42)" . "NC(=NCCCC(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C)N" . "NC(=NCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C)N" . "HDHDTKMUACZDAA-PHNIDTBTSA-N" . "InChI=1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1" . "COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cc2)N1CCC(CC1)O" . "COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cc2)N1CCC(CC1)O" . "NMJMRSQTDLRCRQ-UHFFFAOYSA-N" . "InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)" . "CCCc1nc2c(s1)c1ccccc1nc2N" . "CCCc1nc2c(s1)c1ccccc1nc2N" . "NFYMGJSUKCDVJR-UHFFFAOYSA-N" . "InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)" . "C=CC(=O)Nc1cc(ccc1C)n1c(=O)ccc2c1c1cc(ccc1nc2)c1ccc(cc1)NS(=O)(=O)C" . "C=CC(=O)Nc1cc(ccc1C)n1c(=O)ccc2c1c1cc(ccc1nc2)c1ccc(cc1)NS(=O)(=O)C" . "SFMJNHNUOVADRW-UHFFFAOYSA-N" . "InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)" . "Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C" . "Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C" . "SORFNYWLKDSNNF-UHFFFAOYSA-N" . "InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)" . "COc1cc(ccc1Nc1nccc(n1)c1cn(c2c1ccnc2)C)N1CCN(CC1)C" . "COc1cc(ccc1Nc1nccc(n1)c1cn(c2c1ccnc2)C)N1CCN(CC1)C" . "ZYVXTMKTGDARKR-UHFFFAOYSA-N" . "InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)" . "Oc1cc2CCC3C(c2cc1O)c1ccccc1CN3" . "Oc1cc2CC[C@H]3[C@H](c2cc1O)c1ccccc1CN3" . "BGOQGUHWXBGXJW-YOEHRIQHSA-N" . "InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1" . "C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1F)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC" . "C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1F)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC" . "VVLHQJDAUIPZFH-UHFFFAOYSA-N" . "InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)" . "CC#CC(=O)N1CC[C@H](C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1" . "CC#CC(=O)N1CC[C@H](C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1" . "SEJLPXCPMNSRAM-GOSISDBHSA-N" . "InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1" . "CN1CCN(C(=O)C1c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCC2)C" . "CN1CCN(C(=O)[C@H]1c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCC2)C" . "CDOOFZZILLRUQH-GDLZYMKVSA-N" . "InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1" . "CC(=C(C(=O)Nc1cc(Br)ccc1Br)C#N)O" . "C/C(=C(/C(=O)Nc1cc(Br)ccc1Br)/C#N)/O" . "UVSVTDVJQAJIFG-VURMDHGXSA-N" . "InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-" . "CCNC(=O)c1noc(c1c1ccc(cc1)CN1CCOCC1)c1cc(C(C)C)c(cc1O)O" . "CCNC(=O)c1noc(c1c1ccc(cc1)CN1CCOCC1)c1cc(C(C)C)c(cc1O)O" . "NDAZATDQFDPQBD-UHFFFAOYSA-N" . "InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)" . "NC(=O)c1c(NC2COCC2)cc(cc1F)n1cc(c2c1CC(C)(C)CC2=O)C" . "NC(=O)c1c(N[C@@H]2COCC2)cc(cc1F)n1cc(c2c1CC(C)(C)CC2=O)C" . "GAGDTKJJVCLACJ-ZDUSSCGKSA-N" . "InChI=1S/C22H26FN3O3/c1-12-10-26(17-8-22(2,3)9-18(27)19(12)17)14-6-15(23)20(21(24)28)16(7-14)25-13-4-5-29-11-13/h6-7,10,13,25H,4-5,8-9,11H2,1-3H3,(H2,24,28)/t13-/m0/s1" . "Cc1cc(cc(c1)C)Oc1ccc(cc1C)CNC(=O)C(N)C" . "Cc1cc(cc(c1)C)Oc1ccc(cc1C)CNC(=O)[C@@H](N)C" . "GLFOFXKMALJTCZ-HNNXBMFYSA-N" . "InChI=1S/C19H24N2O2/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20/h5-10,15H,11,20H2,1-4H3,(H,21,22)/t15-/m0/s1" . "CCCCOC(=O)C(c1cc(O)c2c(c1)OC(C1C2CC(CO)CC1)(C)C)(C)C" . "CCCCOC(=O)C(c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@H](CO)CC1)(C)C)(C)C" . "OSVHLUXLWQLPIY-KBAYOESNSA-N" . "InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1" . "CCCCOc1nc(N)c2c(n1)n(CCCN(Cc1cccc(c1)CC(=O)OC)CCCN1CCOCC1)c(=O)[nH]2" . "CCCCOc1nc(N)c2c(n1)n(CCCN(Cc1cccc(c1)CC(=O)OC)CCCN1CCOCC1)c(=O)[nH]2" . "FEFIBEHSXLKJGI-UHFFFAOYSA-N" . "InChI=1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)" . "Fc1ccc(cc1)CN1CCN(CC1)C(=O)C=Cc1ccccc1Cl" . "Fc1ccc(cc1)CN1CCN(CC1)C(=O)/C=C/c1ccccc1Cl" . "RMDYFILMTQCLCQ-JXMROGBWSA-N" . "InChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-17(19)7-10-20(25)24-13-11-23(12-14-24)15-16-5-8-18(22)9-6-16/h1-10H,11-15H2/b10-7+" . "CCCC(Oc1nc(N)c2c(n1)n(CCCCCN1CCCCC1)c(=O)[nH]2)C" . "CCC[C@@H](Oc1nc(N)c2c(n1)n(CCCCCN1CCCCC1)c(=O)[nH]2)C" . "LFMPVTVPXHNXOT-HNNXBMFYSA-N" . "InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1" . "OB(CCCCC(C(=O)O)(CCN1CCCCC1)N)O" . "OB(CCCC[C@](C(=O)O)(CCN1CCCCC1)N)O" . "CHPILBYRQPOXMV-CYBMUJFWSA-N" . "InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1" . "NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)OC)CC(C)C)Cc1ccccc1" . "NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)CC(C)C)Cc1ccccc1" . "CSHFHJNMIMPJST-HOTGVXAUSA-N" . "InChI=1S/C20H30N4O5/c1-13(2)9-16(20(28)29-3)24-19(27)15(10-14-7-5-4-6-8-14)23-18(26)12-22-17(25)11-21/h4-8,13,15-16H,9-12,21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t15-,16-/m0/s1" . "O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)C" . "O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)C" . "SEZYEWZALINSCW-UHFFFAOYSA-N" . "InChI=1S/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3" . "O=C(c1ccc(cc1)N1CCOCC1)Nc1cccc(c1)COc1cncc(c1)C(=O)N" . "O=C(c1ccc(cc1)N1CCOCC1)Nc1cccc(c1)COc1cncc(c1)C(=O)N" . "VKLKXFOZNHEBSW-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O4/c25-23(29)19-13-22(15-26-14-19)32-16-17-2-1-3-20(12-17)27-24(30)18-4-6-21(7-5-18)28-8-10-31-11-9-28/h1-7,12-15H,8-11,16H2,(H2,25,29)(H,27,30)" . "NCC1C(CCC2(C1CCC2=C)C)C1(C)CCC(CC1CO)O" . "NC[C@@H]1[C@H](CC[C@]2([C@H]1CCC2=C)C)[C@@]1(C)CC[C@@H](C[C@@H]1CO)O" . "MDEJTPWQNNMAQF-BVMLLJBZSA-N" . "InChI=1S/C20H35NO2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1" . "COc1nc(nc(c1F)C)N1CC2C(C1)(N=C(N(C2=O)C)N)c1ccc(cc1F)F" . "COc1nc(nc(c1F)C)N1C[C@@H]2[C@](C1)(N=C(N(C2=O)C)N)c1ccc(cc1F)F" . "FNMJFZYRSQTKIH-HXPMCKFVSA-N" . "InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1" . "C=CC(=O)N1CCC(C1)Oc1nc(Nc2ccc(cc2)N2CCC(CC2)N2CCN(CC2)C)c(nc1CC)C(=O)N" . "C=CC(=O)N1CC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCC(CC2)N2CCN(CC2)C)c(nc1CC)C(=O)N" . "QKDCLUARMDUUKN-XMMPIXPASA-N" . "InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1" . "OCC(=O)C1(O)C(C)CC2C1(C)CC=C1C2CCC2=CC(=O)C=CC12C" . "OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=CC(=O)C=C[C@]12C" . "ZYTXTXAMMDTYDQ-DGEXFFLYSA-N" . "InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1" . "CCC1CN(CC1c1cnc2n1c1cc[nH]c1nc2)C(=O)NCC(F)(F)F" . "CC[C@@H]1CN(C[C@@H]1c1cnc2n1c1cc[nH]c1nc2)C(=O)NCC(F)(F)F" . "WYQFJHHDOKWSHR-MNOVXSKESA-N" . "InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1" . "CNCCN(Cc1cn[nH]c1c1ccc(cc1)OC1CC(C1)OCCC1CCOCC1)C" . "CNCCN(Cc1cn[nH]c1c1ccc(cc1)OC1CC(C1)OCCC1CCOCC1)C" . "QMDKVNSQXPVCRD-UHFFFAOYSA-N" . "InChI=1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)" . "CCC(=O)NCC1CCc2c(N1Cc1ccccc1)cccc2OC" . "CCC(=O)NCC1CCc2c(N1Cc1ccccc1)cccc2OC" . "VLPGTHUDTCBGRU-UHFFFAOYSA-N" . "InChI=1S/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24)" . "CC(CCCCn1c(=O)c2n(C)cnc2n(c1=O)C)O" . "C[C@H](CCCCn1c(=O)c2n(C)cnc2n(c1=O)C)O" . "NSMXQKNUPPXBRG-SECBINFHSA-N" . "InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1" . "C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCN(CC1)CCNC(=O)C(CCC12CC3CC(C2)CC(C1)C3)C" . "C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCN(CC1)CCNC(=O)[C@@H](CCC12CC3CC(C2)CC(C1)C3)C" . "GKJWHLDKQULMHJ-PZMWFESPSA-N" . "InChI=1S/C42H52N8O3/c1-3-36(51)47-34-22-31(9-10-35(34)53-33-7-5-4-6-8-33)38-37-39(43)45-26-46-40(37)50(48-38)32-12-16-49(17-13-32)18-15-44-41(52)27(2)11-14-42-23-28-19-29(24-42)21-30(20-28)25-42/h3-10,22,26-30,32H,1,11-21,23-25H2,2H3,(H,44,52)(H,47,51)(H2,43,45,46)/t27-,28?,29?,30?,42?/m1/s1" . "C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCC(CC1)N1CCN(CC1)C(=O)C" . "C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCC(CC1)N1CCN(CC1)C(=O)C" . "FYICDSWKKFSYOM-UHFFFAOYSA-N" . "InChI=1S/C32H36N8O3/c1-3-28(42)36-26-19-22(9-14-27(26)43-25-7-5-4-6-8-25)30-29-31(33)34-20-35-32(29)40(37-30)24-12-10-23(11-13-24)39-17-15-38(16-18-39)21(2)41/h3-9,14,19-20,23-24H,1,10-13,15-18H2,2H3,(H,36,42)(H2,33,34,35)" . "Fc1cccc(c1)N(C(c1ccccc1C)C(=O)NC1CCCCC1)C(=O)Cn1ccnc1C" . "Fc1cccc(c1)N(C(c1ccccc1C)C(=O)NC1CCCCC1)C(=O)Cn1ccnc1C" . "FNYGWXSATBUBER-UHFFFAOYSA-N" . "InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)" . "[O-][N+](=O)CC(c1c([nH]c2c1ccc(c2)C)c1ccccc1)c1cccs1" . "[O-][N+](=O)CC(c1c([nH]c2c1ccc(c2)C)c1ccccc1)c1cccs1" . "RJSPNRDBWHHFMH-UHFFFAOYSA-N" . "InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3" . "O=C(c1ccc(cc1)c1cnc2n1nc(cc2NCC1CCOCC1)NC(C(F)(F)F)(C)C)NC1CC1" . "O=C(c1ccc(cc1)c1cnc2n1nc(cc2NCC1CCOCC1)NC(C(F)(F)F)(C)C)NC1CC1" . "LVBWRNKEBGYENR-UHFFFAOYSA-N" . "InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)" . "N#CSc1ccc2c(c1)c(CC)c([nH]2)C(=O)NCCc1ccc(cc1)N1CCCCC1" . "N#CSc1ccc2c(c1)c(CC)c([nH]2)C(=O)NCCc1ccc(cc1)N1CCCCC1" . "OZEQTGDZTPJNAR-UHFFFAOYSA-N" . "InChI=1S/C25H28N4OS/c1-2-21-22-16-20(31-17-26)10-11-23(22)28-24(21)25(30)27-13-12-18-6-8-19(9-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,27,30)" . "CCCCCC(C(c1cc(O)c2c(c1)OC(C=C2c1ccncc1)(C)C)C)C" . "CCCCCC(C(c1cc(O)c2c(c1)OC(C=C2c1ccncc1)(C)C)C)C" . "YHUDSHIRWOVVCV-UHFFFAOYSA-N" . "InChI=1S/C25H33NO2/c1-6-7-8-9-17(2)18(3)20-14-22(27)24-21(19-10-12-26-13-11-19)16-25(4,5)28-23(24)15-20/h10-18,27H,6-9H2,1-5H3" . "CN=C(N1N=C(C(C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl" . "CN=C(N1N=C([C@H](C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl" . "AXJQVVLKUYCICH-OAQYLSRUSA-N" . "InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1" . "CCc1c(nn(c1c1ccc(cc1)Br)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "CCc1c(nn(c1c1ccc(cc1)Br)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "HMXDWDSNPRNUKI-UHFFFAOYSA-N" . "InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)" . "CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N" . "CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N" . "UNAZAADNBYXMIV-UHFFFAOYSA-N" . "InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)" . "N#Cc1cccc(c1)C(C(NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl" . "N#Cc1cccc(c1)[C@@H]([C@@H](NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl" . "QLYKJCMUNUWAGO-GAJHUEQPSA-N" . "InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc3c(c2)CN(CC3C)c2cncnc2)cc(c1)C(F)(F)F" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc3c(c2)CN(C[C@@H]3C)c2cncnc2)cc(c1)C(F)(F)F" . "CMJJZRAAQMUAFH-INIZCTEOSA-N" . "InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1" . "OCC(n1ccc(cc1=O)c1ccnc(n1)Nc1ccnn1C)c1ccc(c(c1)F)Cl" . "OC[C@@H](n1ccc(cc1=O)c1ccnc(n1)Nc1ccnn1C)c1ccc(c(c1)F)Cl" . "RZUOCXOYPYGSKL-GOSISDBHSA-N" . "InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1" . "OC1COCCC1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C" . "O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C" . "VVZZHFMLRHJXTO-RXVVDRJESA-N" . "InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1" . "O=C(Nc1ccc(c(c1)Cl)C)NCc1ccc2c(c1)CN(C2=O)C1CCC(=O)NC1=O" . "O=C(Nc1ccc(c(c1)Cl)C)NCc1ccc2c(c1)CN(C2=O)C1CCC(=O)NC1=O" . "DOEVCIHTTTYVCC-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN4O4/c1-12-2-4-15(9-17(12)23)25-22(31)24-10-13-3-5-16-14(8-13)11-27(21(16)30)18-6-7-19(28)26-20(18)29/h2-5,8-9,18H,6-7,10-11H2,1H3,(H2,24,25,31)(H,26,28,29)" . "Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C" . "Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C" . "WCDFXVWDGHHCSI-UHFFFAOYSA-N" . "InChI=1S/C31H35FN2O6/c1-20(2)18-31(38)13-14-34(19-31)29(37)33-23-15-26(17-27(16-23)40-25-11-7-22(32)8-12-25)39-24-9-5-21(6-10-24)30(3,4)28(35)36/h5-12,15-17,20,38H,13-14,18-19H2,1-4H3,(H,33,37)(H,35,36)" . "Fc1ccc(c(c1)C(N1Cc2c(C1=O)cccc2)C(=O)Nc1nccs1)O" . "Fc1ccc(c(c1)C(N1Cc2c(C1=O)cccc2)C(=O)Nc1nccs1)O" . "YTUFHOKUFOQRDF-UHFFFAOYSA-N" . "InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)" . "Nc1nc(=O)c2c([nH]1)n(cn2)C1OC2C(C1OP(=O)(O)OCC1C(OP(=O)(OC2)O)C(C(O1)n1cnc2c1ncnc2N)O)O" . "Nc1nc(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@H]2[C@H]([C@H]1OP(=O)(O)OC[C@@H]1[C@@H](OP(=O)(OC2)O)[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O" . "XRILCFTWUCUKJR-INFSMZHSSA-N" . "InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1" . "CCC(C(C(=O)NC1CSSCC(NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc2[nH]cnc2)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1[nH]cnc1)C(=O)NC(C(=O)N)C(O)C)N)C" . "CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1[nH]cnc1)C(=O)N[C@H](C(=O)N)[C@H](O)C)N)C" . "RDTRHBCZFDCUPW-KWICJJCGSA-N" . "InChI=1S/C66H99N23O17S2/c1-8-32(6)50(68)63(104)86-46-27-108-107-26-45(62(103)89-53(33(7)90)54(69)95)85-56(97)39(14-11-17-74-66(70)71)80-59(100)43(20-36-24-73-29-78-36)83-58(99)42(19-35-23-72-28-77-35)79-48(92)25-76-55(96)41(18-34-22-75-38-13-10-9-12-37(34)38)82-60(101)44(21-49(93)94)84-57(98)40(15-16-47(67)91)81-64(105)51(30(2)3)88-65(106)52(31(4)5)87-61(46)102/h9-10,12-13,22-24,28-33,39-46,50-53,75,90H,8,11,14-21,25-27,68H2,1-7H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,96)(H,79,92)(H,80,100)(H,81,105)(H,82,101)(H,83,99)(H,84,98)(H,85,97)(H,86,104)(H,87,102)(H,88,106)(H,89,103)(H,93,94)(H4,70,71,74)/t32-,33+,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-/m0/s1" . "N#Cc1ccnc(c1)N1C(=O)CCC1C(=O)N(C(c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F" . "N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N([C@@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F" . "WIJZXSAJMHAVGX-DHLKQENFSA-N" . "InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1" . "N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1" . "N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1" . "LUALIOATIOESLM-UHFFFAOYSA-N" . "InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2" . "Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "FEBOTPHFXYHVPL-UHFFFAOYSA-N" . "InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)" . "OC1CC(N(C1)C(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)NC(=O)C)C(=O)NCC(=O)NC(C(=O)NCC(=O)N)C" . "O[C@H]1C[C@@H](N(C1)C(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C)C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N)C" . "GFJRASPBQLDRRY-TWTQBQJDSA-N" . "InChI=1S/C28H39N7O9/c1-15(25(41)30-12-23(29)39)32-24(40)13-31-26(42)22-11-19(38)14-35(22)28(44)21-4-3-9-34(21)27(43)20(33-16(2)36)10-17-5-7-18(37)8-6-17/h5-8,15,19-22,37-38H,3-4,9-14H2,1-2H3,(H2,29,39)(H,30,41)(H,31,42)(H,32,40)(H,33,36)/t15-,19+,20-,21-,22-/m1/s1" . "COCCOCC12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F" . "COCCOC[C@@]12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F" . "OMKDFVUMRKROMY-SSEXGKCCSA-N" . "InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1" . "O=C(NC1CNC1=O)OCCCCC1CCCCC1" . "O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1" . "FNLUJRBWJBUJTC-LBPRGKRZSA-N" . "InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1" . "CC(N(CC#C)C)Cc1ccccc1" . "C[C@@H](N(CC#C)C)Cc1ccccc1" . "MEZLKOACVSPNER-GFCCVEGCSA-N" . "InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1" . "COC1CC(CCC1OCCOCc1nnn(c1)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)CC(C1CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C(CC2OC(C(=O)C(=O)N3C(C(=O)O1)CCCC3)(O)C(C)CC2)OC)C)C" . "CO[C@@H]1C[C@H](CC[C@@H]1OCCOCc1nnn(c1)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)C[C@H]([C@@H]1CC(=O)[C@H](C)/C=C(/C)/[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(/[C@@H](C[C@H]2O[C@](C(=O)C(=O)N3[C@@H](C(=O)O1)CCCC3)(O)[C@H](C)CC2)OC)/C)C" . "QDOGZMBPRITPMZ-LFEDRMHTSA-N" . "InChI=1S/C91H138N12O24/c1-60-18-12-11-13-19-61(2)76(112-8)55-70-24-21-66(7)91(111,127-70)85(108)88(109)102-29-16-14-20-72(102)89(110)125-77(56-73(104)62(3)51-65(6)83(107)84(114-10)82(106)64(5)50-60)63(4)52-67-22-25-75(78(53-67)113-9)124-49-48-123-58-69-57-101(100-98-69)31-33-116-35-37-118-39-41-120-43-45-122-47-46-121-44-42-119-40-38-117-36-34-115-32-27-79(105)94-28-15-17-30-103-87-80(86(92)95-59-96-87)81(99-103)68-23-26-74-71(54-68)97-90(93)126-74/h11-13,18-19,23,26,51,54,57,59-60,62-64,66-67,70,72,75-78,83-84,107,111H,14-17,20-22,24-25,27-50,52-53,55-56,58H2,1-10H3,(H2,93,97)(H,94,105)(H2,92,95,96)/b13-11+,18-12+,61-19+,65-51+/t60-,62-,63-,64-,66-,67-,70+,72-,75+,76-,77+,78-,83+,84+,91-/m1/s1" . "O=C(Nc1cc(cc(c1)C(=NN=C(N)N)C)C(=NN=C(N)N)C)CCCCCCCCC(=O)Nc1cc(cc(c1)C(=NN=C(N)N)C)C(=NN=C(N)N)C" . "O=C(Nc1cc(cc(c1)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C)CCCCCCCCC(=O)Nc1cc(cc(c1)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C" . "PWDYHMBTPGXCSN-BFKCERSTSA-N" . "InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19-,46-20+,47-21-,48-22+" . "OCC(c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C" . "OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C" . "KSERXGMCDHOLSS-LJQANCHMSA-N" . "InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1" . "O=C(c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)NCc1ccco1" . "O=C(c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)NCc1ccco1" . "NAGKYJATVFXZKN-UHFFFAOYSA-N" . "InChI=1S/C21H16ClFN2O3S/c22-16-4-1-5-17(23)15(16)11-25-18-9-13(6-7-19(18)29-12-20(25)26)21(27)24-10-14-3-2-8-28-14/h1-9H,10-12H2,(H,24,27)" . "CNc1ccnc(n1)Nc1ccc2c(c1)n(c(c2)C)c1ccccc1Oc1cnc2c(c1)ncn2C" . "CNc1ccnc(n1)Nc1ccc2c(c1)n(c(c2)C)c1ccccc1Oc1cnc2c(c1)ncn2C" . "RQVLGMREYUFLPQ-UHFFFAOYSA-N" . "InChI=1S/C27H24N8O/c1-17-12-18-8-9-19(32-27-29-11-10-25(28-2)33-27)13-23(18)35(17)22-6-4-5-7-24(22)36-20-14-21-26(30-15-20)34(3)16-31-21/h4-16H,1-3H3,(H2,28,29,32,33)" . "CN(CC=CC(=O)N1CCCCC(C1)n1c(NC(=O)c2ccnc(c2)C)nc2c1c(Cl)ccc2)C" . "CN(C/C=C/C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C)nc2c1c(Cl)ccc2)C" . "IOMMMLWIABWRKL-WUTDNEBXSA-N" . "InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1" . "N#Cc1cccc(c1)C(=O)c1cnn(c1N)c1cc(ccc1C)C(=O)NC1CC1" . "N#Cc1cccc(c1)C(=O)c1cnn(c1N)c1cc(ccc1C)C(=O)NC1CC1" . "VGUSQKZDZHAAEE-UHFFFAOYSA-N" . "InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)" . "O=[As]c1ccccc1" . "O=[As]c1ccccc1" . "BQVCCPGCDUSGOE-UHFFFAOYSA-N" . "InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1scc2" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1scc2" . "FDMQDKQUTRLUBU-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)" . "Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N" . "Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N" . "ZHPMYDSXGRRERG-DEOSSOPVSA-N" . "InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1" . "Fc1ccc(cc1)C(c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O" . "Fc1ccc(cc1)[C@H](c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O" . "DCRWIATZWHLIPN-QGZVFWFLSA-N" . "InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m1/s1" . "C=CC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C" . "C=CC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C" . "ITTRLTNMFYIYPA-UHFFFAOYSA-N" . "InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)" . "NC(C(=O)O)CCCN" . "N[C@H](C(=O)O)CCCN" . "AHLPHDHHMVZTML-BYPYZUCNSA-N" . "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1" . "NCCCCC(C(=O)N)NC(=O)C1CCCN1C(=O)C(NC(=O)C1CNC(=O)CC(NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(Cc2ccc(cc2)O)NCc2ccccc2)C(=O)NC(C(=O)NC(C(=O)N1)C(CC)C)CCCN=C(N)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)NCc2ccccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(CC)C)CCCN=C(N)N)CCCN=C(N)N" . "UWLIKQFWZOPOAX-HRFULILYSA-N" . "InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38?,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1" . "O=C(C1CC=CC2C1C(=O)N(CC2)c1ccccc1F)Nc1ccc(c(c1)C(F)(F)F)C" . "O=C([C@H]1CC=C[C@@H]2[C@H]1C(=O)N(CC2)c1ccccc1F)Nc1ccc(c(c1)C(F)(F)F)C" . "LRJGJDKBKCTWKM-HZUJVAHNSA-N" . "InChI=1S/C24H22F4N2O2/c1-14-9-10-16(13-18(14)24(26,27)28)29-22(31)17-6-4-5-15-11-12-30(23(32)21(15)17)20-8-3-2-7-19(20)25/h2-5,7-10,13,15,17,21H,6,11-12H2,1H3,(H,29,31)/t15-,17-,21+/m0/s1" . "Cc1ccc(cc1C(F)(F)F)CSc1nnc(n1Cc1ccco1)c1ccccn1" . "Cc1ccc(cc1C(F)(F)F)CSc1nnc(n1Cc1ccco1)c1ccccn1" . "OQJGZGAYSCWFCK-UHFFFAOYSA-N" . "InChI=1S/C21H17F3N4OS/c1-14-7-8-15(11-17(14)21(22,23)24)13-30-20-27-26-19(18-6-2-3-9-25-18)28(20)12-16-5-4-10-29-16/h2-11H,12-13H2,1H3" . "Oc1cccc(c1)CCN(CC1CC1)CCc1ccccc1" . "Oc1cccc(c1)CCN(CC1CC1)CCc1ccccc1" . "QURAQIGQNZYJHP-UHFFFAOYSA-N" . "InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2" . "Oc1cccc(c1)CCN(CC1CCC1)CCc1ccccc1" . "Oc1cccc(c1)CCN(CC1CCC1)CCc1ccccc1" . "YNVKFHIWFDRVNY-UHFFFAOYSA-N" . "InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2" . "COC1CN(C1)C(=O)c1ccc2c(n1)c(cnc2N)c1ccc(cc1)c1cnn(c1)C" . "COC1CN(C1)C(=O)c1ccc2c(n1)c(cnc2N)c1ccc(cc1)c1cnn(c1)C" . "OJIQEAIHEGJBFE-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O2/c1-28-11-16(9-26-28)14-3-5-15(6-4-14)19-10-25-22(24)18-7-8-20(27-21(18)19)23(30)29-12-17(13-29)31-2/h3-11,17H,12-13H2,1-2H3,(H2,24,25)" . "CC(C(=O)O)N" . "C[C@@H](C(=O)O)N" . "QNAYBMKLOCPYGJ-REOHCLBHSA-N" . "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1nc[nH]c1)CO)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N)CC(=O)O)CC(=O)N)Cc1ccccc1 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O" . "CSDQEWILNKOWRN-WSDCEOHFSA-N" . "InChI=1S/C65H105N19O17/c1-33(2)24-41(55(91)76-42(25-34(3)4)56(92)81-47(31-85)59(95)80-46(64(100)101)27-38-30-71-32-73-38)75-54(90)40(19-12-13-21-66)74-57(93)43(26-37-16-10-9-11-17-37)77-58(94)44(28-49(68)86)78-61(97)52(36(7)8)83-60(96)48-20-15-23-84(48)63(99)45(29-50(87)88)79-62(98)51(35(5)6)82-53(89)39(67)18-14-22-72-65(69)70/h9-11,16-17,30,32-36,39-48,51-52,85H,12-15,18-29,31,66-67H2,1-8H3,(H2,68,86)(H,71,73)(H,74,93)(H,75,90)(H,76,91)(H,77,94)(H,78,97)(H,79,98)(H,80,95)(H,81,92)(H,82,89)(H,83,96)(H,87,88)(H,100,101)(H4,69,70,72)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-/m0/s1" . "N#Cc1cnc(cn1)Nc1ncc(c(c1)NCC1CNCCO1)C(F)(F)F" . "N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)C(F)(F)F" . "YBYYWUUUGCNAHQ-LLVKDONJSA-N" . "InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1" . "COc1cc(ccc1NC(=O)OC(C)(C)C)c1nn(c2c1c(N)ncn2)CCN1CCC(CC1)N(C)C" . "COc1cc(ccc1NC(=O)OC(C)(C)C)c1nn(c2c1c(N)ncn2)CCN1CCC(CC1)N(C)C" . "GMPQGWXPDRNCBL-UHFFFAOYSA-N" . "InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)" . "Clc1ccc(cc1)Nc1cc2nc3ccccc3n(c2cc1=NC(C)C)c1ccc(cc1)Cl" . "Clc1ccc(cc1)Nc1cc2nc3ccccc3n(c2cc1=NC(C)C)c1ccc(cc1)Cl" . "WDQPAMHFFCXSNU-UHFFFAOYSA-N" . "InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3" . "[NH3]CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C)CCC(=O)O)CCCC[NH3])C)CCCC[NH3])CCC(=O)O)C)C)CCCC[NH3])CC(=O)O)Cc1ccc(cc1)O)C)C)CCCC[NH3])C)Cc1c[nH]c2c1cccc2)CC(=O)O)Cc1ccccc1)C)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CC(=O)O)N)CC(C)C)CCCC[NH3])C)Cc1ccccc1)Cc1ccc(cc1)O)CC(=O)O)CCCC[NH3])C)CCC(=O)O)CCCC[NH3])CC(C)C" . "[NH3]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)CCC(=O)O)CCCC[NH3])C)CCCC[NH3])CCC(=O)O)C)C)CCCC[NH3])CC(=O)O)Cc1ccc(cc1)O)C)C)CCCC[NH3])C)Cc1c[nH]c2c1cccc2)CC(=O)O)Cc1ccccc1)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)O)N)CC(C)C)CCCC[NH3])C)Cc1ccccc1)Cc1ccc(cc1)O)CC(=O)O)CCCC[NH3])C)CCC(=O)O)CCCC[NH3])CC(C)C" . "FOIYDQXBMQZAML-GNGNDROBSA-N" . "InChI=1S/C197H303N47O56/c1-101(2)87-140(235-180(282)134(59-34-42-84-204)225-182(284)139(73-77-155(253)254)223-167(269)113(16)218-195(297)160(103(5)6)243-183(285)135(60-35-43-85-205)229-192(294)148(97-158(259)260)240-189(291)144(91-118-64-68-122(246)69-65-118)237-187(289)142(89-115-45-20-18-21-46-115)232-169(271)111(14)215-175(277)130(55-30-38-80-200)226-186(288)141(88-102(3)4)236-190(292)146(234-171(273)125(206)95-156(255)256)94-120-100-208-127-52-27-25-50-124(120)127)185(287)228-133(58-33-41-83-203)179(281)231-137(71-75-153(249)250)177(279)216-112(15)170(272)242-150(92-116-47-22-19-23-48-116)196(298)244-86-44-61-151(244)194(296)241-149(98-159(261)262)193(295)238-145(93-119-99-207-126-51-26-24-49-123(119)126)184(286)217-110(13)166(268)220-128(53-28-36-78-198)172(274)211-104(7)162(264)210-108(11)168(270)233-143(90-117-62-66-121(245)67-63-117)188(290)239-147(96-157(257)258)191(293)227-131(56-31-39-81-201)174(276)212-105(8)161(263)209-107(10)164(266)222-138(72-76-154(251)252)181(283)224-129(54-29-37-79-199)173(275)214-109(12)165(267)221-132(57-32-40-82-202)178(280)230-136(70-74-152(247)248)176(278)213-106(9)163(265)219-114(17)197(299)300/h18-27,45-52,62-69,99-114,125,128-151,160,207-208,245-246H,28-44,53-61,70-98,206H2,1-17,198-205H3,(H,209,263)(H,210,264)(H,211,274)(H,212,276)(H,213,278)(H,214,275)(H,215,277)(H,216,279)(H,217,286)(H,218,297)(H,219,265)(H,220,268)(H,221,267)(H,222,266)(H,223,269)(H,224,283)(H,225,284)(H,226,288)(H,227,293)(H,228,287)(H,229,294)(H,230,280)(H,231,281)(H,232,271)(H,233,270)(H,234,273)(H,235,282)(H,236,292)(H,237,289)(H,238,295)(H,239,290)(H,240,291)(H,241,296)(H,242,272)(H,243,285)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,299,300)/t104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,160-/m0/s1" . "OCC1OC(O)C(C(C1O)O)O" . "OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)O" . "WQZGKKKJIJFFOK-GASJEMHNSA-N" . "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1" . "CNc1ncc2c(c1)n(CC)c(=O)c(c2)c1cc(NC(=O)Nc2ccccc2)c(cc1Br)F" . "CNc1ncc2c(c1)n(CC)c(=O)c(c2)c1cc(NC(=O)Nc2ccccc2)c(cc1Br)F" . "CEFJVGZHQAGLHS-UHFFFAOYSA-N" . "InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)" . "O=C(C1CC1)Nc1nccc(c1)Oc1cc(F)c(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "O=C(C1CC1)Nc1nccc(c1)Oc1cc(F)c(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "GNNDEPIMDAZHRQ-UHFFFAOYSA-N" . "InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)" . "CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1cc(nn1c1ccc2c(c1)cccn2)C(C)(C)C" . "CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1cc(nn1c1ccc2c(c1)cccn2)C(C)(C)C" . "WVXNSAVVKYZVOE-UHFFFAOYSA-N" . "InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)" . "CNc1nccc(n1)N1CCC(C1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)CN1CCOCC1" . "CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)CN1CCOCC1" . "LVIYMOOJJGCMCP-KRWDZBQOSA-N" . "InChI=1S/C22H28F3N7O2/c1-26-20-27-6-4-19(30-20)32-7-5-17(14-32)29-21(33)28-16-3-2-15(18(12-16)22(23,24)25)13-31-8-10-34-11-9-31/h2-4,6,12,17H,5,7-11,13-14H2,1H3,(H,26,27,30)(H2,28,29,33)/t17-/m0/s1" . "COc1cc(ccc1Nc1ncc2c(n1)c(ncc2)NC(C(C)(C)C)C)c1cnn(c1)C" . "COc1cc(ccc1Nc1ncc2c(n1)c(ncc2)N[C@H](C(C)(C)C)C)c1cnn(c1)C" . "XTJZKALDRPVFSN-HNNXBMFYSA-N" . "InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1" . "Cc1n(CC=Cc2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2" . "Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2" . "VSWYSDPXUHVQCG-DTQAZKPQSA-N" . "InChI=1S/C29H26N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-22H,23H2,1H3/q+1/b16-13+" . "Clc1ccc(cc1)C(c1ccccc1)N1CCNCC1" . "Clc1ccc(cc1)C(c1ccccc1)N1CCNCC1" . "UZKBSZSTDQSMDR-UHFFFAOYSA-N" . "InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2" . "COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl" . "COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl" . "PMPBBWPDHSHENJ-UHFFFAOYSA-N" . "InChI=1S/C16H15BrClNO3S2/c1-22-15-10-11(17)2-7-14(15)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3" . "COc1ccc(cc1N(O)[O])C1SCCN1S(=O)(=O)c1ccc(cc1)C" . "COc1ccc(cc1N(O)[O])C1SCCN1S(=O)(=O)c1ccc(cc1)C" . "AXAIHSGKCYUSAN-UHFFFAOYSA-N" . "InChI=1S/C17H19N2O5S2/c1-12-3-6-14(7-4-12)26(22,23)18-9-10-25-17(18)13-5-8-16(24-2)15(11-13)19(20)21/h3-8,11,17,20H,9-10H2,1-2H3" . "COc1ccc(cc1Br)C1SCCN1S(=O)(=O)c1ccc(cc1)Cl" . "COc1ccc(cc1Br)C1SCCN1S(=O)(=O)c1ccc(cc1)Cl" . "PNGJPVDGZNPZHY-UHFFFAOYSA-N" . "InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3" . "Clc1cccc(c1Nc1scc(n1)c1ccc(cc1)N(O)[O])Cl" . "Clc1cccc(c1Nc1scc(n1)c1ccc(cc1)N(O)[O])Cl" . "XUVKOFBHMYDXMJ-UHFFFAOYSA-N" . "InChI=1S/C15H10Cl2N3O2S/c16-11-2-1-3-12(17)14(11)19-15-18-13(8-23-15)9-4-6-10(7-5-9)20(21)22/h1-8,21H,(H,18,19)" . "OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N" . "OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N" . "MDGIEDNDSFMSLP-UHFFFAOYSA-N" . "InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)" . "OC1CCCC(C1=O)(N)c1ccccc1Cl" . "O[C@@H]1CCC[C@@](C1=O)(N)c1ccccc1Cl" . "CFBVGSWSOJBYGC-ZYHUDNBSSA-N" . "InChI=1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m1/s1" . "CNC1(CCCCC1=O)c1ccccc1Cl" . "CN[C@]1(CCCCC1=O)c1ccccc1Cl" . "YQEZLKZALYSWHR-CYBMUJFWSA-N" . "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1" . "CNC1(CCCCC1=O)c1ccccc1Cl" . "CN[C@@]1(CCCCC1=O)c1ccccc1Cl" . "YQEZLKZALYSWHR-ZDUSSCGKSA-N" . "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1" . "N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O" . "N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O" . "USZAGAREISWJDP-UHFFFAOYSA-N" . "InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2" . "O=C(C1=C(O)C2C34C(C1)(O)C(Cc1c4c(O2)c(O)cc1)N(CC3)CC1CC1)NC(c1onc(n1)c1ccccc1)(C)C" . "O=C(C1=C(O)[C@H]2[C@]34[C@](C1)(O)[C@@H](Cc1c4c(O2)c(O)cc1)N(CC3)CC1CC1)NC(c1onc(n1)c1ccccc1)(C)C" . "AXQACEQYCPKDMV-RZAWKFBISA-N" . "InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1" . "OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C" . "OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C" . "ODIHLEYTPVYAPY-UHFFFAOYSA-N" . "InChI=1S/C27H30FNO5S/c1-19-15-24(34-13-4-14-35(2,32)33)10-11-25(19)22-6-3-5-20(16-22)18-29-23-9-7-21(26(28)17-23)8-12-27(30)31/h3,5-7,9-11,15-17,29H,4,8,12-14,18H2,1-2H3,(H,30,31)" . "OC(=O)CCc1ccc(cc1F)OCc1cccc(c1)c1ccc(cc1C)OCCOCCNc1ccc(c2=NCN=c12)N(O)[O]" . "OC(=O)CCc1ccc(cc1F)OCc1cccc(c1)c1ccc(cc1C)OCCOCCNc1ccc(c2=NCN=c12)N(O)[O]" . "BNXVSBVQPRGKJS-UHFFFAOYSA-N" . "InChI=1S/C34H34FN4O7/c1-22-17-26(45-16-15-44-14-13-36-30-10-11-31(39(42)43)34-33(30)37-21-38-34)8-9-28(22)25-4-2-3-23(18-25)20-46-27-7-5-24(29(35)19-27)6-12-32(40)41/h2-5,7-11,17-19,36,42H,6,12-16,20-21H2,1H3,(H,40,41)" . "CNCCCc1cncc(c1)CCc1cc(C)cc(n1)N" . "CNCCCc1cncc(c1)CCc1cc(C)cc(n1)N" . "YUXWMCKGSHXUGW-UHFFFAOYSA-N" . "InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)" . "COc1cc(cc(c1CN(C)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "COc1cc(cc(c1CN(C)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "RBUYFHLQNPJMQM-UHFFFAOYSA-N" . "InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3" . "OC(C1(CC(C1)(C)O)c1nccc(c1)C(C)(C)C)c1ccccn1" . "O[C@@H]([C@@]1(C[C@](C1)(C)O)c1nccc(c1)C(C)(C)C)c1ccccn1" . "CWNBNHVIRBCANH-RLLQIKCJSA-N" . "InChI=1S/C20H26N2O2/c1-18(2,3)14-8-10-22-16(11-14)20(12-19(4,24)13-20)17(23)15-7-5-6-9-21-15/h5-11,17,23-24H,12-13H2,1-4H3/t17-,19-,20+/m1/s1" . "Fc1ccc(cc1)CC1=NN=CC2C1CN(CC2)C(=O)CCc1nc2c(s1)cccc2" . "Fc1ccc(cc1)CC1=NN=CC2C1CN(CC2)C(=O)CCc1nc2c(s1)cccc2" . "BSWOIMAAUKKRAB-UHFFFAOYSA-N" . "InChI=1S/C24H23FN4OS/c25-18-7-5-16(6-8-18)13-21-19-15-29(12-11-17(19)14-26-28-21)24(30)10-9-23-27-20-3-1-2-4-22(20)31-23/h1-8,14,17,19H,9-13,15H2" . "O=C(N1CC2C(C1)CN(C2)C(=O)c1ccc(c(c1)F)S(=O)(=O)N)OCc1ccc(cc1)OC(F)(F)F" . "O=C(N1C[C@H]2[C@H](C1)CN(C2)C(=O)c1ccc(c(c1)F)S(=O)(=O)N)OCc1ccc(cc1)OC(F)(F)F" . "PCBOWMZAEDDKNH-HOTGVXAUSA-N" . "InChI=1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1" . "Clc1cc(COC(=O)N2CCN(CC2)CCC(=O)c2ccc3c(c2)oc(=O)[nH]3)cc(c1)Cl" . "Clc1cc(COC(=O)N2CCN(CC2)CCC(=O)c2ccc3c(c2)oc(=O)[nH]3)cc(c1)Cl" . "JMSUDQYHPSNBSN-UHFFFAOYSA-N" . "InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)" . "CN1CCN(CC1)CC(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1" . "CN1CCN(CC1)CC(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C/c1ccccc1" . "GEMFAWUXUVGGTE-FCDQGJHFSA-N" . "InChI=1S/C27H32N4O/c1-29-15-17-30(18-16-29)20-25(32)31-27(22-11-6-3-7-12-22)24-14-8-13-23(26(24)28-31)19-21-9-4-2-5-10-21/h2-7,9-12,19,24,27H,8,13-18,20H2,1H3/b23-19+" . "CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=O)CC1)(C)C)(C)C" . "CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=O)CC1)(C)C)(C)C" . "GECBBEABIDMGGL-UHFFFAOYSA-N" . "InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCCN=C(N)N)CC(C)C)CC(C)C)C)CC(C)C)C(C)C)CC(=O)N)CCC(=O)O)C(C)C)CCC(=O)O)CC(C)C)CC(=O)O)CCC(=O)N)CC(=O)O)C(C)C)N " . "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)C(C)C" . "FQPFUCOMMICWOE-CPPASMBOSA-N" . "InChI=1S/C102H169N27O34/c1-46(2)36-60(117-93(154)65(41-76(139)140)120-86(147)57(26-29-70(104)131)113-92(153)66(42-77(141)142)122-97(158)78(50(9)10)123-83(144)55(103)45-130)85(146)110-44-73(134)127-33-19-23-67(127)95(156)115-59(28-31-75(137)138)89(150)125-80(52(13)14)100(161)129-35-21-25-69(129)99(160)128-34-20-24-68(128)96(157)114-58(27-30-74(135)136)87(148)119-64(40-71(105)132)94(155)124-79(51(11)12)98(159)121-61(37-47(3)4)84(145)109-43-72(133)111-54(17)82(143)116-62(38-48(5)6)91(152)118-63(39-49(7)8)90(151)112-56(22-18-32-108-102(106)107)88(149)126-81(53(15)16)101(162)163/h46-69,78-81,130H,18-45,103H2,1-17H3,(H2,104,131)(H2,105,132)(H,109,145)(H,110,146)(H,111,133)(H,112,151)(H,113,153)(H,114,157)(H,115,156)(H,116,143)(H,117,154)(H,118,152)(H,119,148)(H,120,147)(H,121,159)(H,122,158)(H,123,144)(H,124,155)(H,125,150)(H,126,149)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,162,163)(H4,106,107,108)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,78-,79-,80-,81-/m0/s1" . "O=C(C(NC(=O)c1ccc(c(c1)OCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C" . "O=C([C@H](NC(=O)c1ccc(c(c1)OCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C" . "NRHPXDROGIVILZ-XMMPIXPASA-N" . "InChI=1S/C28H32N2O5/c1-28(2,3)35-27(33)24(16-11-19-7-5-4-6-8-19)30-26(32)21-12-15-23(29)25(17-21)34-18-20-9-13-22(31)14-10-20/h4-10,12-15,17,24,31H,11,16,18,29H2,1-3H3,(H,30,32)/t24-/m1/s1" . "O=C(C(NC(=O)c1ccc(c(c1)CCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C" . "O=C([C@@H](NC(=O)c1ccc(c(c1)CCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C" . "OACODUCFPHHCIH-SANMLTNESA-N" . "InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1" . "Cc1sc(c(n1)C(=O)N1CCCC1Cc1nnc(o1)c1ccccc1)c1ccccc1F" . "Cc1sc(c(n1)C(=O)N1CCC[C@H]1Cc1nnc(o1)c1ccccc1)c1ccccc1F" . "HYBZWVLPALMACV-KRWDZBQOSA-N" . "InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1" . "COc1ccc2c(c1)ccc(c2)c1cc(nn1C(c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl" . "COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl" . "DNTVJEMGHBIUMW-IBGZPJMESA-N" . "InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1" . "Fc1ccc2c(c1)c(n[nH]2)Nc1ccnc2c1cc(cc2)S(=O)(=O)C(C)(C)C" . "Fc1ccc2c(c1)c(n[nH]2)Nc1ccnc2c1cc(cc2)S(=O)(=O)C(C)(C)C" . "XLOGLWKOHPIJLV-UHFFFAOYSA-N" . "InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)" . "COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccc(cc1)F" . "COCCNCc1cnc(cc1)c1cc2nccc(c2s1)Oc1c(cc(cc1)NC(=S)NC(=O)Cc1ccc(cc1)F)F" . "YRCHYHRCBXNYNU-UHFFFAOYSA-N" . "InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)" . "FC1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F" . "F[C@@H]1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F" . "YYACLQUDUDXAPA-MRXNPFEDSA-N" . "InChI=1S/C25H21F3N6O3S/c26-16-5-6-34(12-16)38(36,37)33-20-4-3-19(27)21(22(20)28)23(35)18-11-32-25-17(18)7-14(8-31-25)15-9-29-24(30-10-15)13-1-2-13/h3-4,7-11,13,16,33H,1-2,5-6,12H2,(H,31,32)/t16-/m1/s1" . "Oc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)c1cccc(c1)N(C)C" . "Oc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)c1cccc(c1)N(C)C" . "PYEFPDQFAZNXLI-UHFFFAOYSA-N" . "InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)" . "O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)C)C" . "O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C)C" . "VXIMPSPISRVBPZ-NWUMPJBXSA-N" . "InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1OC)C)c1ncc(c(n1)Nc1ccncc1)OC" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1OC)C)c1ncc(c(n1)Nc1ccncc1)OC" . "LMRCQVHTZUUHFN-UHFFFAOYSA-N" . "InChI=1S/C24H24F2N6O3/c1-5-35-16-10-18(25)17(19(26)11-16)13-32-24(34-4)14(2)21(31-32)23-28-12-20(33-3)22(30-23)29-15-6-8-27-9-7-15/h6-12H,5,13H2,1-4H3,(H,27,28,29,30)" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1C1CC1)C)c1ncc(c(n1)Nc1ccncc1)OC" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1C1CC1)C)c1ncc(c(n1)Nc1ccncc1)OC" . "WAELFQHBZPHEMW-UHFFFAOYSA-N" . "InChI=1S/C26H26F2N6O2/c1-4-36-18-11-20(27)19(21(28)12-18)14-34-24(16-5-6-16)15(2)23(33-34)26-30-13-22(35-3)25(32-26)31-17-7-9-29-10-8-17/h7-13,16H,4-6,14H2,1-3H3,(H,29,30,31,32)" . "CC(C(=O)O)NC(=O)C(CP(=O)(C(N)C)O)Cc1ccc(cc1)c1ccccc1" . "C[C@@H](C(=O)O)NC(=O)[C@@H](CP(=O)([C@@H](N)C)O)Cc1ccc(cc1)c1ccccc1" . "CWJPVKSBGVPXRD-QMTMVMCOSA-N" . "InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15+,19+/m0/s1" . "COc1cc(ccc1OC)CC1c2cc(OC)c(cc2CCN1C(c1ccccc1)C(=O)NC(C)C)OC" . "COc1cc(ccc1OC)C[C@H]1c2cc(OC)c(cc2CCN1[C@H](c1ccccc1)C(=O)NC(C)C)OC" . "HXHOBPVRRPCTLG-SETSBSEESA-N" . "InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1" . "Fc1ccc(cc1)S(=O)(=O)N(c1ccccc1c1ccccc1)Cc1[nH]ccn1" . "Fc1ccc(cc1)S(=O)(=O)N(c1ccccc1c1ccccc1)Cc1[nH]ccn1" . "PCDMCECXKAELMI-UHFFFAOYSA-N" . "InChI=1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25)" . "NC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2" . "NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2" . "GCWIQUVXWZWCLE-INIZCTEOSA-N" . "InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1" . "CCS(=O)(=O)Nc1ccc(c(c1)c1cn(C)c(=O)c2c1cc[nH]2)Oc1ccc(cc1F)F" . "CCS(=O)(=O)Nc1ccc(c(c1)c1cn(C)c(=O)c2c1cc[nH]2)Oc1ccc(cc1F)F" . "RDONXGFGWSSFMY-UHFFFAOYSA-N" . "InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3" . "OC(=O)c1ccc(cc1)CN1CCC(CC1)CNC1CC1c1ccccc1" . "OC(=O)c1ccc(cc1)CN1CCC(CC1)CN[C@@H]1C[C@H]1c1ccccc1" . "LRULVYSBRWUVGR-FCHUYYIVSA-N" . "InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1" . "O=C(c1sc2c(c1C)c(=O)[nH]cn2)Nc1nncs1" . "O=C(c1sc2c(c1C)c(=O)[nH]cn2)Nc1nncs1" . "CDWYKQOLMLZLKK-UHFFFAOYSA-N" . "InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17)" . "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(c2c1cccc2)C(C1CCN(CC1)CC(F)(F)F)C" . "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(c2c1cccc2)[C@@H](C1CCN(CC1)CC(F)(F)F)C" . "HPODOLXTMDHLLC-QGZVFWFLSA-N" . "InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1" . "COc1ccc(cc1CSc1ccc(cc1)NC(=O)C)C1Nc2cccc(c2C(=O)N1Cc1ccccc1)O" . "COc1ccc(cc1CSc1ccc(cc1)NC(=O)C)C1Nc2cccc(c2C(=O)N1Cc1ccccc1)O" . "DWYMDWVNEIIEHC-UHFFFAOYSA-N" . "InChI=1S/C31H29N3O4S/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)" . "CC1CCC(C1(C)C)CCCC(=O)O" . "CC1CCC(C1(C)C)CCCC(=O)O" . "LYFXCRCUENNESS-UHFFFAOYSA-N" . "InChI=1S/C12H22O2/c1-9-7-8-10(12(9,2)3)5-4-6-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)" . "COc1cc2OC(CC(=O)c2c(c1OC)O)c1ccc(cc1)O" . "COc1cc2O[C@@H](CC(=O)c2c(c1OC)O)c1ccc(cc1)O" . "DEOJMRBCCZJDEC-LBPRGKRZSA-N" . "InChI=1S/C17H16O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3/t12-/m0/s1" . "CC(N1CCCN(CC1)C(=O)C1CCN(CC1)c1ccc(nc1)C(F)(F)F)C" . "CC(N1CCCN(CC1)C(=O)C1CCN(CC1)c1ccc(nc1)C(F)(F)F)C" . "AHHPKVQYHXNBQN-UHFFFAOYSA-N" . "InChI=1S/C20H29F3N4O/c1-15(2)25-8-3-9-27(13-12-25)19(28)16-6-10-26(11-7-16)17-4-5-18(24-14-17)20(21,22)23/h4-5,14-16H,3,6-13H2,1-2H3" . "C1CCN(C1)CCOc1ccc(cc1)c1ccccc1" . "C1CCN(C1)CCOc1ccc(cc1)c1ccccc1" . "PKUGRVAJRGZDJP-UHFFFAOYSA-N" . "InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2" . "Fc1ccc(cn1)c1ccc2c(c1)[nH]c1c2cncc1" . "[18F]c1ccc(cn1)c1ccc2c(c1)[nH]c1c2cncc1" . "GETAAWDSFUCLBS-SJPDSGJFSA-N" . "InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1" . "Fc1ccc(cc1)C(=O)CCCN1CCC2C(C1)c1cccc3c1N2CCN3C" . "Fc1ccc(cc1)C(=O)CCCN1CCC2C(C1)c1cccc3c1N2CCN3C" . "HOIIHACBCFLJET-UHFFFAOYSA-N" . "InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3" . "COc1ccc(c(c1)C(C(N)C)O)OC" . "COc1ccc(c(c1)C(C(N)C)O)OC" . "WJAJPNHVVFWKKL-UHFFFAOYSA-N" . "InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3" . "CN1CC=CCCOc2cccc(c2)c2nc(Nc3cc(C1)ccc3)ncc2" . "CN1C/C=C/CCOc2cccc(c2)c2nc(Nc3cc(C1)ccc3)ncc2" . "VXBAJLGYBMTJCY-NSCUHMNNSA-N" . "InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+" . "Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(c(c1)S(=O)(=O)O)N=Nc1ccc(cc1N)N" . "Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1N)N" . "ADRMADAIKSWNOR-GOCYIQQKSA-N" . "InChI=1S/C28H24N10O7S2/c29-15-2-6-22(20(31)10-15)35-33-17-4-1-14-9-26(47(43,44)45)27(28(39)19(14)12-17)38-34-18-5-8-24(25(13-18)46(40,41)42)37-36-23-7-3-16(30)11-21(23)32/h1-13,39H,29-32H2,(H,40,41,42)(H,43,44,45)/b35-33-,37-36+,38-34+" . "[O-][N+](=O)c1ccc(c(c1)OC1CCCCC1)NS(=O)(=O)C" . "[O-][N+](=O)c1ccc(c(c1)OC1CCCCC1)NS(=O)(=O)C" . "KTDZCOWXCWUPEO-UHFFFAOYSA-N" . "InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3" . "O=C(NC(P(=O)(CC(C(=O)NC(C(=O)O)C)Cc1ccc(cc1)c1ccccc1)O)C)OCOC(=O)C(C)C" . "O=C(N[C@H](P(=O)(C[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)c1ccccc1)O)C)OCOC(=O)C(C)C" . "HLACXNCYLIKGES-YCRNBWNJSA-N" . "InChI=1S/C27H35N2O9P/c1-17(2)26(33)37-16-38-27(34)29-19(4)39(35,36)15-23(24(30)28-18(3)25(31)32)14-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,17-19,23H,14-16H2,1-4H3,(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t18-,19+,23+/m0/s1" . "CCOC(=O)C1(CCCCCCOc2ccc(cc2)Cl)OC1" . "CCOC(=O)[C@]1(CCCCCCOc2ccc(cc2)Cl)OC1" . "DZLOHEOHWICNIL-QGZVFWFLSA-N" . "InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1" . "ClCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C1(C2CCC2=CC(=O)C=CC12C)F" . "ClCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F" . "XXIFVOHLGBURIG-OZCCCYNHSA-N" . "InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1" . "CN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)OCCN1CCOCC1" . "CN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)OCCN1CCOCC1" . "GPFAJKDEDBRFOS-FKQDBXSBSA-N" . "InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1" . "O=C1N(CCc2c1cccc2)c1ccc(cc1)c1cc[nH]n1" . "O=C1N(CCc2c1cccc2)c1ccc(cc1)c1cc[nH]n1" . "NEEFLDGZGNPYSN-UHFFFAOYSA-N" . "InChI=1S/C18H15N3O/c22-18-16-4-2-1-3-13(16)10-12-21(18)15-7-5-14(6-8-15)17-9-11-19-20-17/h1-9,11H,10,12H2,(H,19,20)" . "CC(=O)OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1OC(=O)C" . "CC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC(=O)C" . "GVGLGOZIDCSQPN-PVHGPHFFSA-N" . "InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N1CCCCC1)C" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N1CCCCC1)C" . "SVDHSZFEQYXRDC-UHFFFAOYSA-N" . "InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3" . "OC(=O)c1ccc(c(c1)F)C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F" . "OC(=O)c1ccc(c(c1)F)C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F" . "ODEANEWMWSRFHI-UHFFFAOYSA-N" . "InChI=1S/C21H12ClF4N3O3/c22-13-4-1-3-12(21(24,25)26)16(13)19(30)29-15-5-2-8-27-18(15)17(28-29)11-7-6-10(20(31)32)9-14(11)23/h1-9,15,18H,(H,31,32)" . "Fc1cc(C(=O)O)c(cc1C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F)O" . "Fc1cc(C(=O)O)c(cc1C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F)O" . "LCOVNUGQIUYGLV-UHFFFAOYSA-N" . "InChI=1S/C21H12ClF4N3O4/c22-12-4-1-3-11(21(24,25)26)16(12)19(31)29-14-5-2-6-27-18(14)17(28-29)9-8-15(30)10(20(32)33)7-13(9)23/h1-8,14,18,30H,(H,32,33)" . "Fc1ccc(c(c1)C)N(C(=O)c1ccncc1C)Cc1cccc2c1cc([nH]2)C" . "Fc1ccc(c(c1)C)N(C(=O)c1ccncc1C)Cc1cccc2c1cc([nH]2)C" . "FMASTMURQSHELY-UHFFFAOYSA-N" . "InChI=1S/C24H22FN3O/c1-15-11-19(25)7-8-23(15)28(24(29)20-9-10-26-13-16(20)2)14-18-5-4-6-22-21(18)12-17(3)27-22/h4-13,27H,14H2,1-3H3" . "O=C(N1CC(C1)Oc1ccc(cn1)c1ccccc1)Nc1cccnn1" . "O=C(N1CC(C1)Oc1ccc(cn1)c1ccccc1)Nc1cccnn1" . "VSQUREFTKYDATG-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O2/c25-19(22-17-7-4-10-21-23-17)24-12-16(13-24)26-18-9-8-15(11-20-18)14-5-2-1-3-6-14/h1-11,16H,12-13H2,(H,22,23,25)" . "ClCCN(C(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C)CCCl" . "ClCCN(C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)CCCl" . "FRPJXPJMRWBBIH-RBRWEJTLSA-N" . "InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1" . "CN(N=Nc1[nH]cnc1C(=O)N)C" . "CN(N=Nc1[nH]cnc1C(=O)N)C" . "FDKXTQMXEQVLRF-UHFFFAOYSA-N" . "InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)" . "CCOP(=O)(SCC[N+](C)(C)C)OCC" . "CCOP(=O)(SCC[N+](C)(C)C)OCC" . "BJOLKYGKSZKIGU-UHFFFAOYSA-N" . "InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1" . "CC[N+](c1cccc(c1)O)(C)C" . "CC[N+](c1cccc(c1)O)(C)C" . "VWLHWLSRQJQWRG-UHFFFAOYSA-O" . "InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1" . "c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1" . "c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1" . "DERZBLKQOCDDDZ-JLHYYAGUSA-N" . "InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+" . "OC(=O)CCC1NC(=O)C(CSSCC2NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CSSCC(NC(=O)CNC(=O)C(NC2=O)C(O)C)C(=O)NC(C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)N)CC(=O)O)CCC(=O)O" . "OC(=O)CC[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CC(=O)O)CCC(=O)O" . "NSPHQWLKCGGCQR-DLJDZFDSSA-N" . "InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC1CSSCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)Cc1ccccc1)CC(C)C)CCCCN)CC(C)C)CC(=O)O)CCCNC(=N)N)C(CC)C)C(=O)O)CCCCN)CO)CC(C)C)CCCCN)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CCCN1)CCC(=O)N)CCC(=O)O)Cc1[nH]cnc1)CC(=O)N)C)CCCNC(=N)N)CCCCN)Cc1ccc(cc1)O)CCCCN)C)CC(=O)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)Cc1ccccc1)CC(C)C)CCCCN)CC(C)C)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C(=O)O)CCCCN)CO)CC(C)C)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1)CCC(=O)N)CCC(=O)O)Cc1[nH]cnc1)CC(=O)N)C)CCCNC(=N)N)CCCCN)Cc1ccc(cc1)O)CCCCN)C)CC(=O)N" . "IGYWDDBBJPSOTG-WBAGYEQSSA-N" . "InChI=1S/C176H290N56O51S3/c1-14-95(10)143-172(280)201-84-138(245)209-125(86-234)168(276)221-113(54-65-284-13)159(267)229-124(85-233)152(260)200-81-135(242)206-114(66-91(2)3)150(258)198-83-140(247)211-128(174(282)283)89-286-285-88-127(170(278)224-118(70-98-34-16-15-17-35-98)151(259)199-80-137(244)207-115(67-92(4)5)162(270)217-108(41-23-29-60-182)155(263)223-117(69-94(8)9)164(272)226-122(75-142(250)251)167(275)219-110(160(268)231-143)44-32-63-193-176(188)189)210-139(246)82-197-149(257)105(38-20-26-57-179)215-169(277)126(87-235)230-163(271)116(68-93(6)7)208-136(243)79-196-147(255)103(36-18-24-55-177)213-153(261)106(39-21-27-58-180)218-166(274)121(74-132(185)239)222-144(252)96(11)203-133(240)77-195-148(256)104(37-19-25-56-178)214-165(273)119(71-99-46-48-101(236)49-47-99)225-156(264)107(40-22-28-59-181)216-154(262)109(43-31-62-192-175(186)187)212-145(253)97(12)204-161(269)120(73-131(184)238)227-171(279)129-45-33-64-232(129)173(281)123(72-100-76-190-90-202-100)228-158(266)112(51-53-141(248)249)220-157(265)111(50-52-130(183)237)205-134(241)78-194-146(254)102-42-30-61-191-102/h15-17,34-35,46-49,76,90-97,102-129,143,191,233-236H,14,18-33,36-45,50-75,77-89,177-182H2,1-13H3,(H2,183,237)(H2,184,238)(H2,185,239)(H,190,202)(H,194,254)(H,195,256)(H,196,255)(H,197,257)(H,198,258)(H,199,259)(H,200,260)(H,201,280)(H,203,240)(H,204,269)(H,205,241)(H,206,242)(H,207,244)(H,208,243)(H,209,245)(H,210,246)(H,211,247)(H,212,253)(H,213,261)(H,214,273)(H,215,277)(H,216,262)(H,217,270)(H,218,274)(H,219,275)(H,220,265)(H,221,276)(H,222,252)(H,223,263)(H,224,278)(H,225,264)(H,226,272)(H,227,279)(H,228,266)(H,229,267)(H,230,271)(H,231,268)(H,248,249)(H,250,251)(H,282,283)(H4,186,187,192)(H4,188,189,193)/t95-,96-,97-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,143-/m0/s1" . "O=C(Nc1ccc(nn1)CCCCc1nnc(s1)NC(=O)Cc1ccccn1)Cc1cccc(c1)OC(F)(F)F" . "O=C(Nc1ccc(nn1)CCCCc1nnc(s1)NC(=O)Cc1ccccn1)Cc1cccc(c1)OC(F)(F)F" . "PRAAPINBUWJLGA-UHFFFAOYSA-N" . "InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)" . "OC(=O)C1NCC2C1C(=NO2)O" . "OC(=O)[C@H]1NC[C@H]2[C@@H]1C(=NO2)O" . "XJSXFNHFIBCTDU-HZLVTQRSSA-N" . "InChI=1S/C6H8N2O4/c9-5-3-2(12-8-5)1-7-4(3)6(10)11/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)CO)C(O)C)CO)C)CC(=O)O)CCCN=C(N)N)CC(=O)O)CCCN=C(N)N)CC(C)C)CO)CS)CC(C)C)CO)CCSC)CO)C(CC)C)CCCN=C(N)N)CC(=O)O)CC(C)C)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CC(C)C)CO)CCCCN)CS)Cc1ccccc1)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O" . "YZEJNKFJIYNYMP-MGAVOHMASA-N" . "InChI=1S/C158H264N48O51S3/c1-17-82(12)123(201-132(233)90(37-26-47-169-157(164)165)187-138(239)100(61-121(222)223)193-137(238)97(58-81(10)11)190-129(230)88(35-22-24-45-160)185-134(235)95(56-79(6)7)180-116(216)64-173-127(228)98(59-86-32-19-18-20-33-86)192-144(245)108(75-258)182-118(218)66-171-125(226)87(34-21-23-44-159)184-141(242)105(72-210)197-135(236)94(55-78(4)5)178-114(214)63-161)149(250)175-68-117(217)181-103(70-208)140(241)188-91(43-53-260-16)131(232)196-102(69-207)128(229)174-65-115(215)179-93(54-77(2)3)126(227)172-67-119(219)183-109(76-259)154(255)206-52-31-42-113(206)148(249)198-106(73-211)142(243)191-96(57-80(8)9)136(237)186-89(36-25-46-168-156(162)163)130(231)195-101(62-122(224)225)153(254)205-51-30-40-111(205)145(246)189-92(38-27-48-170-158(166)167)152(253)204-50-29-41-112(204)146(247)194-99(60-120(220)221)133(234)176-83(13)151(252)203-49-28-39-110(203)147(248)199-107(74-212)143(244)202-124(85(15)213)150(251)200-104(71-209)139(240)177-84(14)155(256)257/h18-20,32-33,77-85,87-113,123-124,207-213,258-259H,17,21-31,34-76,159-161H2,1-16H3,(H,171,226)(H,172,227)(H,173,228)(H,174,229)(H,175,250)(H,176,234)(H,177,240)(H,178,214)(H,179,215)(H,180,216)(H,181,217)(H,182,218)(H,183,219)(H,184,242)(H,185,235)(H,186,237)(H,187,239)(H,188,241)(H,189,246)(H,190,230)(H,191,243)(H,192,245)(H,193,238)(H,194,247)(H,195,231)(H,196,232)(H,197,236)(H,198,249)(H,199,248)(H,200,251)(H,201,233)(H,202,244)(H,220,221)(H,222,223)(H,224,225)(H,256,257)(H4,162,163,168)(H4,164,165,169)(H4,166,167,170)/t82-,83-,84-,85+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-/m0/s1" . "CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC" . "CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC" . "JOATXPAWOHTVSZ-UHFFFAOYSA-N" . "InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)" . "CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C" . "CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C" . "ZJKNESGOIKRXQY-UHFFFAOYSA-N" . "InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)" . "COCC(Cn1c(=O)cnn(c1=O)c1ccc(c(c1)C(=O)NCC1(O)CCCCCC1)Cl)O" . "COC[C@@H](Cn1c(=O)cnn(c1=O)c1ccc(c(c1)C(=O)NCC1(O)CCCCCC1)Cl)O" . "FUCKCIVGBCBZNP-MRXNPFEDSA-N" . "InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1" . "N#Cc1ccc(cc1Cl)N1N=C2C(C1C1CCCC1)CCc1c2ccc(c1)C(=O)O" . "N#Cc1ccc(cc1Cl)N1N=C2[C@@H]([C@@H]1C1CCCC1)CCc1c2ccc(c1)C(=O)O" . "XNULRSOGWPFPBL-REWPJTCUSA-N" . "InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1" . "Cc1ncnc(c1)c1ccc2c(c1)CCC2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C" . "Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C" . "ZIUDADZJCKGWKR-AREMUKBSSA-N" . "InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1" . "OC1(CCOCC1)CN1CCC(CC1)COc1noc2c1c(ccc2)OC1COCC1" . "OC1(CCOCC1)CN1CCC(CC1)COc1noc2c1c(ccc2)O[C@H]1COCC1" . "WLLOFQROROXOMO-GOSISDBHSA-N" . "InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1" . "CCNC(=O)C1CC(C1)(F)c1ccc(c(c1)F)CN1CCCC1" . "CCNC(=O)C1CC(C1)(F)c1ccc(c(c1)F)CN1CCCC1" . "SXMBKHYDZOCBMT-UHFFFAOYSA-N" . "InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)" . "Clc1ccc(c(c1)Cl)C(=Cn1cncn1)Cl" . "Clc1ccc(c(c1)Cl)/C(=C/n1cncn1)/Cl" . "XGLHZTBDUXXHOM-WMZJFQQLSA-N" . "InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-" . "CN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F" . "CN1C[C@@H]2[C@H](C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F" . "KYLOBHXXQOZRKK-YIONKMFJSA-N" . "InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15?" . "FC(c1ccc2c(c1)C1CNCC2C1)(F)F" . "FC(c1ccc2c(c1)[C@H]1CNC[C@@H]2C1)(F)F" . "RNOBTWYQAWEZHH-JGVFFNPUSA-N" . "InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1" . "CC(N(C(=O)CN1c2ccccc2n2c(C(C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C" . "CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C" . "UBNMGTSDHSQBEL-PMERELPUSA-N" . "InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1" . "Cn1nccc1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N" . "Cn1nccc1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N" . "DVNQWYLVSNPCJZ-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O2S/c1-25-20(9-12-24-25)16-5-7-18(8-6-16)28-19-4-2-3-17(15-19)22(21(23)26)10-13-27-14-11-22/h2-9,12,15H,10-11,13-14H2,1H3,(H2,23,26)" . "Oc1cccc(c1)NC1=CC=NC2C1C1C=CC=CC1N2" . "Oc1cccc(c1)NC1=CC=NC2C1C1C=CC=CC1N2" . "YLLRPQWLASQXSI-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,13-14,16-17,19-21H" . "Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1" . "Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1" . "CTYVKSQPMCSUOR-UHFFFAOYSA-N" . "InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)" . "OCC1OC(Oc2ccc(cc2c2cccc(c2)CC(=O)O)CCCCCCc2ccc(c(c2)c2cccc(c2)CC(=O)O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O" . "OC[C@H]1O[C@H](Oc2ccc(cc2c2cccc(c2)CC(=O)O)CCCCCCc2ccc(c(c2)c2cccc(c2)CC(=O)O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O" . "RYWCQJDEHXJHRI-XJMXIVSISA-N" . "InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1" . "COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F" . "CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F" . "MTMDXAIUENDNDL-RJSMDTJLSA-N" . "InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1" . "Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C" . "Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C" . "JRWROCIMSDXGOZ-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3" . "COc1ccc(cn1)C1(O)CCC(CC1)N1CCC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F" . "COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F" . "NXZNYBUBXWWKCP-JMOWIOHXSA-N" . "InChI=1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34)/t20-,21?,25?/m1/s1" . "NCCCCC(C(=O)N1CCC(CC1)(N)C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)CC(C)C" . "NCCCC[C@H](C(=O)N1CCC(CC1)(N)C(=O)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccccc1)CC(C)C" . "FWMNVWWHGCHHJJ-SKKKGAJSSA-N" . "InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1" . "CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C21CCC2)c1cnc(c(c1)C(F)(F)F)C#N" . "CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C21CCC2)c1cnc(c(c1)C(F)(F)F)C#N" . "HJBWBFZLDZWPHF-UHFFFAOYSA-N" . "InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)" . "OC(=O)Cc1ccc(cc1)N1CCC(C1)NC(c1cccc2c1cccc2)C" . "OC(=O)Cc1ccc(cc1)N1CC[C@@H](C1)N[C@@H](c1cccc2c1cccc2)C" . "RZNUIYPHQFXBAN-XLIONFOSSA-N" . "InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1" . "CCCC1CN(C(=O)C1)C(C(=O)N)CC" . "CCC[C@H]1CN(C(=O)C1)[C@H](C(=O)N)CC" . "MSYKRHVOOPPJKU-BDAKNGLRSA-N" . "InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1" . "O=C(c1cc(c(cc1F)C)n1cnc(c1)C1CC1)Nc1cccc(n1)c1nncn1C(C)C" . "O=C(c1cc(c(cc1F)C)n1cnc(c1)C1CC1)Nc1cccc(n1)c1nncn1C(C)C" . "YIDDLAAKOYYGJG-UHFFFAOYSA-N" . "InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)" . "COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C" . "COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C" . "OLAHOMJCDNXHFI-UHFFFAOYSA-N" . "InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3" . "O=C1C(N)Cc2c(N1O)cccc2" . "O=C1[C@@H](N)Cc2c(N1O)cccc2" . "HYTRYTZFJVVZAF-ZETCQYMHSA-N" . "InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1" . "CC(CC(C(=O)NCC(=O)N1CCC(CC1)c1cc(nn1C)c1ccc(c(c1Cl)Cl)OCc1ccc(o1)C(=O)O)N=C(N)N)C" . "CC(C[C@H](C(=O)NCC(=O)N1CCC(CC1)c1cc(nn1C)c1ccc(c(c1Cl)Cl)OCc1ccc(o1)C(=O)O)N=C(N)N)C" . "VNZHOIDQBPFEJU-OAQYLSRUSA-N" . "InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36)/t21-/m1/s1" . "CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(cc1Cl)F" . "CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(cc1Cl)F" . "LEEIJTHMHDMWLJ-CQSZACIVSA-N" . "InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1" . "CCOC1OC(=O)CC1NC(=O)C1CCCN1C(=O)C(C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N" . "CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N" . "SJDDOCKBXFJEJB-MOKWFATOSA-N" . "InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1" . "O=CC(NC(=O)C1CCCN1C(=O)C(C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N)CC(=O)O" . "O=C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N)CC(=O)O" . "SOZONDBMOYWSRW-QANKJYHBSA-N" . "InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1" . "CCOP(=O)(Cc1ccc(cc1)NC(=O)CNC(=O)C1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)OCC" . "CCOP(=O)(Cc1ccc(cc1)NC(=O)CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)OCC" . "AEVBPXDFDKBGLT-YOUFYPILSA-N" . "InChI=1S/C22H29N4O10P/c1-3-34-37(33,35-4-2)12-13-5-7-14(8-6-13)24-16(28)11-23-20(31)19-17(29)18(30)21(36-19)26-10-9-15(27)25-22(26)32/h5-10,17-19,21,29-30H,3-4,11-12H2,1-2H3,(H,23,31)(H,24,28)(H,25,27,32)/t17-,18+,19-,21+/m0/s1" . "O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F" . "O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F" . "ZNSVOHSYDRPBGI-CBQRAPNFSA-N" . "InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22?,23-,28?/m0/s1" . "COc1ccc(cc1)CC(C(=O)NC(C(=O)C1(C)CO1)Cc1ccccc1)NC(=O)C(NC(=O)CN1CCOCC1)C" . "COc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)C" . "WQAVPPWWLLVGFK-VTNASVEKSA-N" . "InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1" . "CCN(c1ncnc2c1ncn2C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)CC" . "CCN(c1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)CC" . "ILXFKEOLRYLPJG-IDTAVKCVSA-N" . "InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1" . "ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl" . "ClCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl" . "QLIIKPVHVRXHRI-CXSFZGCWSA-N" . "InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1" . "CC(=C)C1CCC2(C1C1CCC3C(C1(C)CC2)(C)CCC1C3(C)CCC(C1(C)C)O)C" . "CC(=C)C1CCC2([C@H]1C1CCC3C([C@]1(C)CC2)(C)CC[C@@H]1C3(C)CCC(C1(C)C)O)C" . "MQYXUWHLBZFQQO-HQBMYVNCSA-N" . "InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20?,21?,22-,23?,24?,25+,27?,28?,29+,30?/m0/s1" . "COc1ccc(cc1)C(=O)C=Cc1cccc(c1OC)OC" . "COc1ccc(cc1)C(=O)/C=C/c1cccc(c1OC)OC" . "IECVLMVZGCYCSZ-FMIVXFBMSA-N" . "InChI=1S/C18H18O4/c1-20-15-10-7-13(8-11-15)16(19)12-9-14-5-4-6-17(21-2)18(14)22-3/h4-12H,1-3H3/b12-9+" . "CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC" . "CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC" . "QSPOQCXMGPDIHI-UHFFFAOYSA-N" . "InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)" . "CCc1nc2c(n1CCCCNS(=O)(=O)C)c1ccccc1nc2N" . "CCc1nc2c(n1CCCCNS(=O)(=O)C)c1ccccc1nc2N" . "YZOQZEXYFLXNKA-UHFFFAOYSA-N" . "InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)" . "CCCCCCCCCCCC(CC(=O)NC1C(OC(C(C1O)O)COC1OC(CO)C(C(C1NC(=O)CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)O)OP(=O)(O)O)OP(=O)(O)O)O" . "CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C[C@@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)O)OP(=O)(O)O)OP(=O)(O)O)O" . "GOWLTLODGKPXMN-MEKRSRHXSA-N" . "InChI=1S/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39+,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1" . "Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1" . "Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1" . "ABGOSOMRWSYAOB-UHFFFAOYSA-N" . "InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)" . "O=C1c2ccccc2C(=O)c2c1c(N)c(cc2Nc1ccc2c(c1)cc1c(c2)cccc1)S(=O)(=O)[O-]" . "O=C1c2ccccc2C(=O)c2c1c(N)c(cc2Nc1ccc2c(c1)cc1c(c2)cccc1)S(=O)(=O)[O-]" . "JXFRJOYKTCEJDG-UHFFFAOYSA-M" . "InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1" . "O=C(Nc1cc(ccc1C)CN1CCNCC1)CNc1ccc(c(c1)F)F" . "O=C(Nc1cc(ccc1C)CN1CCNCC1)CNc1ccc(c(c1)F)F" . "GRUWKTIRBBPZSD-UHFFFAOYSA-N" . "InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27)" . "OCCNCCNc1ccc2c(n1)cccc2NC(=O)CC12CC3CC(C2)CC(C1)C3" . "OCCNCCNc1ccc2c(n1)cccc2NC(=O)CC12CC3CC(C2)CC(C1)C3" . "FQMZXMVHHKXGTM-UHFFFAOYSA-N" . "InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)" . "O=C(c1ccccc1O)OCc1no[n+](c1C(=O)N)[O-]" . "O=C(c1ccccc1O)OCc1no[n+](c1C(=O)N)[O-]" . "YWHHKFGUOITYRD-UHFFFAOYSA-N" . "InChI=1S/C11H9N3O6/c12-10(16)9-7(13-20-14(9)18)5-19-11(17)6-3-1-2-4-8(6)15/h1-4,15H,5H2,(H2,12,16)" . "OC(C1CCCCC1)CC1c2ccccc2c2n1cnc2" . "OC(C1CCCCC1)CC1c2ccccc2c2n1cnc2" . "YTRRAUACYORZLX-UHFFFAOYSA-N" . "InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2" . "[O-][N+](=O)OCc1cccc(c1)OC(=O)c1ccccc1OC(=O)C" . "[O-][N+](=O)OCc1cccc(c1)OC(=O)c1ccccc1OC(=O)C" . "IOJUJUOXKXMJNF-UHFFFAOYSA-N" . "InChI=1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3" . "Fc1ccc2c(c1)[nH]cc2C=Cc1nnn[nH]1" . "Fc1ccc2c(c1)[nH]cc2/C=C/c1nnn[nH]1" . "JDBSZVDIUIRSDG-DAFODLJHSA-N" . "InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+" . "CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-]" . "CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-]" . "VABCILAOYCMVPS-UHFFFAOYSA-N" . "InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3" . "OCC1COC(CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F" . "OC[C@@H]1CO[C@H](CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F" . "SKEAGJWUKCNICJ-LSDHHAIUSA-N" . "InChI=1S/C21H24FN7O5/c1-12-24-17(20-26-28-29(27-20)8-14-10-34-15(9-30)11-33-14)6-18(25-12)21(31)23-7-13-3-4-16(22)19(5-13)32-2/h3-6,14-15,30H,7-11H2,1-2H3,(H,23,31)/t14-,15+/m0/s1" . "Clc1ccc(cc1)Oc1oc(=O)n(n1)c1ccc(c(c1)O)O" . "Clc1ccc(cc1)Oc1oc(=O)n(n1)c1ccc(c(c1)O)O" . "NLWUQNVDUOHGIP-UHFFFAOYSA-N" . "InChI=1S/C14H9ClN2O5/c15-8-1-4-10(5-2-8)21-13-16-17(14(20)22-13)9-3-6-11(18)12(19)7-9/h1-7,18-19H" . "O=C(N1CCN(CC1)Cc1ccc2c(c1)OC(O2)(F)F)Nc1cnccc1Cl" . "O=C(N1CCN(CC1)Cc1ccc2c(c1)OC(O2)(F)F)Nc1cnccc1Cl" . "YWGYNGCRVZLMCS-UHFFFAOYSA-N" . "InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)" . "COc1ccc(cc1)CC(N(CCCCOC(=O)c1ccc(c(c1)OC)OC)CC)C" . "COc1ccc(cc1)CC(N(CCCCOC(=O)c1ccc(c(c1)OC)OC)CC)C" . "VYVKHNNGDFVQGA-UHFFFAOYSA-N" . "InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3" . "Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F" . "Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F" . "OGIJEXWCHFAYRS-UHFFFAOYSA-N" . "InChI=1S/C15H8BrFO3/c16-8-5-6-11(17)10(7-8)15-14(19)13(18)9-3-1-2-4-12(9)20-15/h1-7,19H" . "CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)(C)C" . "CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@H](C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)(C)C" . "GDPUTCQTCXMCTL-YPQIROLXSA-N" . "InChI=1S/C87H151N17O10/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-41-57-103(58-42-32-30-28-26-24-22-20-18-16-14-12-10-8-2)59-43-35-40-54-76(106)102-87(5,6)84(114)101-73(63-67-49-38-34-39-50-67)81(111)99-71(61-65(3)4)79(109)100-72(62-66-47-36-33-37-48-66)80(110)97-69(52-45-56-95-86(92)93)83(113)104-60-46-53-74(104)82(112)96-68(51-44-55-94-85(90)91)78(108)98-70(77(89)107)64-75(88)105/h33-34,36-39,47-50,65,68-74H,7-32,35,40-46,51-64H2,1-6H3,(H2,88,105)(H2,89,107)(H,96,112)(H,97,110)(H,98,108)(H,99,111)(H,100,109)(H,101,114)(H,102,106)(H4,90,91,94)(H4,92,93,95)/t68-,69-,70?,71-,72?,73?,74?/m0/s1" . "NC(=O)Nc1cccc(c1)c1ncn(c1)C(=O)N(C1CCCC1)C" . "NC(=O)Nc1cccc(c1)c1ncn(c1)C(=O)N(C1CCCC1)C" . "SXKWDPMBWTZYCA-UHFFFAOYSA-N" . "InChI=1S/C17H21N5O2/c1-21(14-7-2-3-8-14)17(24)22-10-15(19-11-22)12-5-4-6-13(9-12)20-16(18)23/h4-6,9-11,14H,2-3,7-8H2,1H3,(H3,18,20,23)" . "OC(C(Cl)(Cl)Cl)Cc1ccncc1" . "OC(C(Cl)(Cl)Cl)Cc1ccncc1" . "NGTDJJKTGRNNAU-UHFFFAOYSA-N" . "InChI=1S/C8H8Cl3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2" . "NC(=N)NCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)Cc1ccc(cc1)F" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)Cc1ccc(cc1)F" . "TZCCKCLHNUSAMQ-DUGSHLAESA-N" . "InChI=1S/C47H62FN15O8S/c48-28-15-13-26(14-16-28)21-35(62-43(69)36(58-39(65)23-29-7-6-20-72-29)22-27-25-57-31-9-2-1-8-30(27)31)42(68)60-33(11-4-18-56-47(53)54)45(71)63-19-5-12-37(63)44(70)59-32(10-3-17-55-46(51)52)41(67)61-34(40(50)66)24-38(49)64/h1-2,6-9,13-16,20,25,32-37,57H,3-5,10-12,17-19,21-24H2,(H2,49,64)(H2,50,66)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,69)(H4,51,52,55)(H4,53,54,56)/t32-,33-,34-,35-,36-,37-/m0/s1" . "OC(=O)CCn1c(=O)oc2c1cc(Cl)c(c2)Cl" . "OC(=O)CCn1c(=O)oc2c1cc(Cl)c(c2)Cl" . "MIGAKMWKMLYGJX-UHFFFAOYSA-N" . "InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15)" . "Oc1cc(C)c(c(c1)C)CC(C(=O)N1Cc2ccccc2CC1C(=O)NC(c1[nH]c2c(n1)cccc2)CC(=O)O)N" . "Oc1cc(C)c(c(c1)C)C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](c1[nH]c2c(n1)cccc2)CC(=O)O)N" . "USVQTDLSVBRMCR-YGPDHOBYSA-N" . "InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26-,27-/m0/s1" . "CCN(C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1)CC" . "CCN(C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1)CC" . "SMUGAZNLKPFBSB-UHFFFAOYSA-N" . "InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3" . "CCN(C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c1c(O)ccc2)CC" . "CCN(C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c1c(O)ccc2)CC" . "OPIKUXLJQFYMSC-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3" . "CCN(C(=O)c1ccc(c(c1)O)C1=CC2(CCNCC2)Oc2c1cccc2)CC" . "CCN(C(=O)c1ccc(c(c1)O)C1=CC2(CCNCC2)Oc2c1cccc2)CC" . "ALGHKWSXJUQNJJ-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3" . "C=CCN1CC(C)N(CC1C)C(c1cccc(c1)O)c1ccc(cc1)C(=O)N(CC)CC" . "C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)O)c1ccc(cc1)C(=O)N(CC)CC" . "LBLDMHBSVIVJPM-YZIHRLCOSA-N" . "InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1" . "[O-][n+]1cccc(c1)c1ncn(c1)C(=O)N(C1CCCCC1)C" . "[O-][n+]1cccc(c1)c1ncn(c1)C(=O)N(C1CCCCC1)C" . "DOWVMJFBDGWVML-UHFFFAOYSA-N" . "InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3" . "CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)C(C(=O)O)C" . "CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)[C@H](C(=O)O)C" . "USQOVYLRWBOSQC-OAHLLOKOSA-N" . "InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1" . "CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)C(C(=O)O)C" . "CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)[C@@H](C(=O)O)C" . "USQOVYLRWBOSQC-HNNXBMFYSA-N" . "InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1" . "OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1)S(=O)(=O)C" . "OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1)S(=O)(=O)C" . "YOPFAMROKXHVCQ-UHFFFAOYSA-N" . "InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)" . "OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C" . "OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C" . "GFPPXZDRVCSVNR-UHFFFAOYSA-N" . "InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)" . "C[n+]1cccc(c1)OC(=O)N(C)C" . "C[n+]1cccc(c1)OC(=O)N(C)C" . "RVOLLAQWKVFTGE-UHFFFAOYSA-N" . "InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1" . "O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C" . "O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C" . "ALWKGYPQUAPLQC-UHFFFAOYSA-N" . "InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1" . "O=C(N1CCC(CC1)N1CCC2C(NC1=O)C=CC=C2)CC1SC(N(C1=O)CCC(C)(C)C)c1cccc(c1N1CCN(CC1)C(C)(C)C)F" . "O=C(N1CCC(CC1)N1CCC2C(NC1=O)C=CC=C2)C[C@@H]1S[C@@H](N(C1=O)CCC(C)(C)C)c1cccc(c1N1CCN(CC1)C(C)(C)C)F" . "UUUGXEGGIAPJQE-MYMUVWEJSA-N" . "InChI=1S/C39H57FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,27-28,31-32,36H,14-26H2,1-6H3,(H,41,49)/t27?,31?,32-,36+/m0/s1" . "OC1=CC(=c2o[nH]c(n2)c2c(C)c(Cl)c([n+](c2Cl)[O-])C)C=C(C1=O)[N+](=O)[O-]" . "OC1=C/C(=c/2/o[nH]c(n2)c2c(C)c(Cl)c([n+](c2Cl)[O-])C)/C=C(C1=O)[N+](=O)[O-]" . "HVGGGVAREUUJQV-CHHVJCJISA-N" . "InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22H,1-2H3,(H,18,19)/b15-7-" . "CNC1CCN(C1)c1cc(NCC2CC2)nc(n1)N" . "CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N" . "ISBHYKVAFKTATD-SNVBAGLBSA-N" . "InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1" . "NC1CCN(C1)c1cc(nc(n1)N)C(C)C" . "N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C" . "COOGVHJHSCBOQT-MRVPVSSYSA-N" . "InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1" . "CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N" . "CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N" . "ICAQZJCLBRKWBG-UHFFFAOYSA-N" . "InChI=1S/C16H20Cl2N6/c1-23-5-7-24(8-6-23)15-9-14(21-16(19)22-15)20-10-11-12(17)3-2-4-13(11)18/h2-4,9H,5-8,10H2,1H3,(H3,19,20,21,22)" . "CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1" . "CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1" . "JZAGLPUCLXBELH-UHFFFAOYSA-N" . "InChI=1S/C26H38N6O/c1-30-12-14-31(15-13-30)24-17-23(28-26(27)29-24)21-8-7-20-10-11-32(18-22(20)16-21)25(33)9-6-19-4-2-3-5-19/h7-8,16-17,19,26,29H,2-6,9-15,18,27H2,1H3" . "CN(C1CCC2(C(=CCC3C2CCC24C3CCC4C(N(C2)C)C)C1)C)C" . "CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C" . "GPLGAQQQNWMVMM-MYAJQUOBSA-N" . "InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1" . "CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)OCc1ccccc1" . "CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(cc1)OCc1ccccc1" . "YAMSXCOVJUUMCT-FCHUYYIVSA-N" . "InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-10,21-22,24H,11-17H2,1H3/t21-,22+/m0/s1" . "CCOC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2c(CC1)cccc2" . "CCOC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2c(CC1)cccc2" . "WBKCKEHGXNWYMO-UHFFFAOYSA-N" . "InChI=1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)" . "CCc1ccc(cc1)C(=O)c1cnc2c(c1N1CCC(CC1)C(=O)N)cc1c(c2)OCCO1" . "CCc1ccc(cc1)C(=O)c1cnc2c(c1N1CCC(CC1)C(=O)N)cc1c(c2)OCCO1" . "TZUJFIBUVNERIP-UHFFFAOYSA-N" . "InChI=1S/C26H27N3O4/c1-2-16-3-5-17(6-4-16)25(30)20-15-28-21-14-23-22(32-11-12-33-23)13-19(21)24(20)29-9-7-18(8-10-29)26(27)31/h3-6,13-15,18H,2,7-12H2,1H3,(H2,27,31)" . "Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1n(C)c(=O)c1c(n2C)cc2c(c1)cccc2" . "Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1n(C)c(=O)c1c(n2C)cc2c(c1)cccc2" . "CHSDJDLAKKAWCI-UHFFFAOYSA-N" . "InChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1" . "CGBJSGAELGCMKE-UHFFFAOYSA-N" . "InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(O)C)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O" . "NEJABMGLOVSGDX-RKHUIQFASA-N" . "InChI=1S/C182H275N47O51S/c1-17-94(10)148(229-176(273)135(89-231)224-163(260)122(74-102-53-55-106(233)56-54-102)212-171(268)133(83-145(246)247)220-175(272)134(88-230)225-181(278)150(96(12)19-3)228-174(271)124(73-101-42-24-21-25-43-101)221-177(274)146(193)99(15)232)179(276)200-98(14)152(249)203-118(63-69-281-16)159(256)218-130(80-142(240)241)169(266)206-114(51-33-38-67-186)160(257)227-149(95(11)18-2)180(277)222-127(77-105-86-194-90-198-105)166(263)208-116(58-61-137(189)235)157(254)207-117(59-62-138(190)236)158(255)217-131(81-143(242)243)170(267)213-123(72-100-40-22-20-23-41-100)173(270)226-147(93(8)9)178(275)223-129(79-140(192)238)168(265)214-126(76-104-85-196-110-47-29-27-45-108(104)110)165(262)211-121(71-92(6)7)162(259)210-120(70-91(4)5)161(258)199-97(13)151(248)202-115(57-60-136(188)234)156(253)204-111(48-30-35-64-183)153(250)197-87-141(239)201-112(49-31-36-65-184)154(251)205-113(50-32-37-66-185)155(252)216-128(78-139(191)237)167(264)219-132(82-144(244)245)172(269)215-125(75-103-84-195-109-46-28-26-44-107(103)109)164(261)209-119(182(279)280)52-34-39-68-187/h20-29,40-47,53-56,84-86,90-99,111-135,146-150,195-196,230-233H,17-19,30-39,48-52,57-83,87-89,183-187,193H2,1-16H3,(H2,188,234)(H2,189,235)(H2,190,236)(H2,191,237)(H2,192,238)(H,194,198)(H,197,250)(H,199,258)(H,200,276)(H,201,239)(H,202,248)(H,203,249)(H,204,253)(H,205,251)(H,206,266)(H,207,254)(H,208,263)(H,209,261)(H,210,259)(H,211,262)(H,212,268)(H,213,267)(H,214,265)(H,215,269)(H,216,252)(H,217,255)(H,218,256)(H,219,264)(H,220,272)(H,221,274)(H,222,277)(H,223,275)(H,224,260)(H,225,278)(H,226,270)(H,227,257)(H,228,271)(H,229,273)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)/t94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,146-,147-,148-,149-,150-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(CCC(=O)O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC" . "IOBVONZFFZDDEF-OTCKMHAFSA-N" . "InChI=1S/C189H285N49O55S/c1-17-97(10)153(238-183(286)139(92-240)232-170(273)126(76-105-53-55-109(242)56-54-105)220-178(281)137(85-151(258)259)228-182(285)138(91-239)233-187(290)155(99(12)19-3)237-181(284)128(75-104-42-24-21-25-43-104)229-188(291)156(102(15)241)234-146(249)90-204-159(262)112(195)57-64-147(250)251)185(288)208-101(14)158(261)211-122(65-71-294-16)166(269)226-134(82-148(252)253)176(279)214-118(51-33-38-69-193)167(270)236-154(98(11)18-2)186(289)230-131(79-108-88-201-93-206-108)173(276)216-120(59-62-141(197)244)164(267)215-121(60-63-142(198)245)165(268)225-135(83-149(254)255)177(280)221-127(74-103-40-22-20-23-41-103)180(283)235-152(96(8)9)184(287)231-133(81-144(200)247)175(278)222-130(78-107-87-203-114-47-29-27-45-111(107)114)172(275)219-125(73-95(6)7)169(272)218-124(72-94(4)5)168(271)207-100(13)157(260)210-119(58-61-140(196)243)163(266)212-115(48-30-35-66-190)160(263)205-89-145(248)209-116(49-31-36-67-191)161(264)213-117(50-32-37-68-192)162(265)224-132(80-143(199)246)174(277)227-136(84-150(256)257)179(282)223-129(77-106-86-202-113-46-28-26-44-110(106)113)171(274)217-123(189(292)293)52-34-39-70-194/h20-29,40-47,53-56,86-88,93-102,112,115-139,152-156,202-203,239-242H,17-19,30-39,48-52,57-85,89-92,190-195H2,1-16H3,(H2,196,243)(H2,197,244)(H2,198,245)(H2,199,246)(H2,200,247)(H,201,206)(H,204,262)(H,205,263)(H,207,271)(H,208,288)(H,209,248)(H,210,260)(H,211,261)(H,212,266)(H,213,264)(H,214,279)(H,215,267)(H,216,276)(H,217,274)(H,218,272)(H,219,275)(H,220,281)(H,221,280)(H,222,278)(H,223,282)(H,224,265)(H,225,268)(H,226,269)(H,227,277)(H,228,285)(H,229,291)(H,230,289)(H,231,287)(H,232,273)(H,233,290)(H,234,249)(H,235,283)(H,236,270)(H,237,284)(H,238,286)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,292,293)/t97-,98-,99-,100-,101-,102+,112-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,152-,153-,154-,155-,156-/m0/s1" . "Nc1oc2c(n1)cc(cc2)c1ccc2n(c1)c(cn2)C(=O)N1CCOCC1" . "Nc1oc2c(n1)cc(cc2)c1ccc2n(c1)c(cn2)C(=O)N1CCOCC1" . "BLGWHBSBBJNKJO-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)" . "Cc1cc(C(Nc2ccccc2)C)c2c(c1)c(=O)cc(o2)N1CCOCC1" . "Cc1cc([C@@H](Nc2ccccc2)C)c2c(c1)c(=O)cc(o2)N1CCOCC1" . "VRCXIJAYLCUSHC-INIZCTEOSA-N" . "InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1" . "Fc1ccc(cc1)CSc1nnc(s1)NC(=O)c1ccc(cc1)F" . "Fc1ccc(cc1)CSc1nnc(s1)NC(=O)c1ccc(cc1)F" . "ZDYQINDXPNAOKX-UHFFFAOYSA-N" . "InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)" . "Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(s2)C)C1=O" . "Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(s2)C)/C1=O" . "KXFOCXRVKPGLHA-MDWZMJQESA-N" . "InChI=1S/C16H11FN2O2S2/c1-9-2-7-12(23-9)8-13-14(20)18-16(22)19(15(13)21)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,20,22)/b13-8+" . "OC1CCN(C1)c1ncc(cc1c1ccn[nH]1)C(=O)Nc1ccc(cc1)OC(Cl)(F)F" . "O[C@@H]1CCN(C1)c1ncc(cc1c1ccn[nH]1)C(=O)Nc1ccc(cc1)OC(Cl)(F)F" . "VOVZXURTCKPRDQ-CQSZACIVSA-N" . "InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1" . "COc1c(C)cc(cc1C)NC(=O)c1nn(c2c1CN(CC2(C)C(=O)N)C(=O)c1[nH]ccc1)Cc1ccc(cc1)F" . "COc1c(C)cc(cc1C)NC(=O)c1nn(c2c1CN(C[C@]2(C)C(=O)N)C(=O)c1[nH]ccc1)Cc1ccc(cc1)F" . "DUCNNEYLFOQFSW-PMERELPUSA-N" . "InChI=1S/C30H31FN6O4/c1-17-12-21(13-18(2)25(17)41-4)34-27(38)24-22-15-36(28(39)23-6-5-11-33-23)16-30(3,29(32)40)26(22)37(35-24)14-19-7-9-20(31)10-8-19/h5-13,33H,14-16H2,1-4H3,(H2,32,40)(H,34,38)/t30-/m0/s1" . "CC(CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)c1cccc(n1)C(F)(F)F)(O)C" . "CC(CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)c1cccc(n1)C(F)(F)F)(O)C" . "DYLUUSLLRIQKOE-UHFFFAOYSA-N" . "InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)" . "CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1nnc(c(c1)OC(c1c(Cl)ccc(c1Cl)F)C)N" . "CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1nnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N" . "ONPGOSVDVDPBCY-CQSZACIVSA-N" . "InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1" . "CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F" . "CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F" . "IDYZIJYBMGIQMJ-UHFFFAOYSA-N" . "InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)" . "O=C1CCc2c(N1)nccc2Oc1ccc2c(c1)C1C(O2)C1c1nc2c([nH]1)cc(cc2)C(F)(F)F" . "O=C1CCc2c(N1)nccc2Oc1ccc2c(c1)[C@@H]1[C@H](O2)[C@H]1c1nc2c([nH]1)cc(cc2)C(F)(F)F" . "NGFFVZQXSRKHBM-FKBYEOEOSA-N" . "InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1" . "CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N" . "CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N" . "BGLPECHZZQDNCD-UHFFFAOYSA-N" . "InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)" . "N#Cc1ccc(cn1)C1NC(=O)C(C(=C1C(=O)C)C)c1cccc(c1)C(F)(F)F" . "N#Cc1ccc(cn1)[C@H]1NC(=O)C(C(=C1C(=O)C)C)c1cccc(c1)C(F)(F)F" . "SHVLFOSIUCIFDN-MUMRKEEXSA-N" . "InChI=1S/C21H16F3N3O2/c1-11-17(12(2)28)19(14-6-7-16(9-25)26-10-14)27-20(29)18(11)13-4-3-5-15(8-13)21(22,23)24/h3-8,10,18-19H,1-2H3,(H,27,29)/t18?,19-/m1/s1" . "NCCN(Cc1c[nH]cc1c1ccc(cc1)OC(C)C)C" . "NCCN(Cc1c[nH]cc1c1ccc(cc1)OC(C)C)C" . "FMTVWAGUJRUAKE-UHFFFAOYSA-N" . "InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3" . "OC(=O)CCc1cccc(c1)[Sb](=O)(O)O" . "OC(=O)CCc1cccc(c1)[Sb](=O)(O)O" . "VXMRXQJADBGVFN-UHFFFAOYSA-L" . "InChI=1S/C9H9O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-5H,6-7H2,(H,10,11);2*1H2;;/q;;;;+2/p-2" . "OC(CN1CCc2c(C1)cccc2)CNC(=O)c1ccnc(c1)NC1CCC1" . "O[C@H](CN1CCc2c(C1)cccc2)CNC(=O)c1ccnc(c1)NC1CCC1" . "TWKYXZSXXXKKJU-FQEVSTJZSA-N" . "InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1" . "N#CN=C(N1CC(C(=N1)c1ccc(c(c1)Cl)Cl)N(C(=O)CO)CC)Nc1cccc(c1)OC(F)F" . "N#C/N=C(/N1C[C@@H](C(=N1)c1ccc(c(c1)Cl)Cl)N(C(=O)CO)CC)/Nc1cccc(c1)OC(F)F" . "OTTJIRVZJJGFTK-SFHVURJKSA-N" . "InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1" . "ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C" . "ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C" . "JOWXJLIFIIOYMS-UHFFFAOYSA-N" . "InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)" . "CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)c1ccc2c(c1)ccn2C1CC(C)(C)NC(C1)(C)C" . "CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)c1ccc2c(c1)ccn2C1CC(C)(C)NC(C1)(C)C" . "XVECNLUKQDKOST-UHFFFAOYSA-N" . "InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)" . "COc1cc(CN(C)C)c(cc1c1cn(C)c(=O)c2c1ccnc2)OC" . "COc1cc(CN(C)C)c(cc1c1cn(C)c(=O)c2c1ccnc2)OC" . "BJFSUDWKXGMUKA-UHFFFAOYSA-N" . "InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3" . "OCC(C(Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O" . "OC[C@@H]([C@H](Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O" . "QZECRCLSIGFCIO-RISCZKNCSA-N" . "InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1" . "FC(c1c(ccn2c1nnc2CC1CC1)CN1CCC(CC1)c1ccccc1)(F)F" . "FC(c1c(ccn2c1nnc2CC1CC1)CN1CCC(CC1)c1ccccc1)(F)F" . "LYDKDODJIBQNLK-UHFFFAOYSA-N" . "InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2" . "CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1" . "CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1" . "HYOGJHCDLQSAHX-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3" . "Cn1ncc(c1)c1ccc(cc1)c1cncc(c1N1CCC2(CC1)CCNC2=O)Cl" . "Cn1ncc(c1)c1ccc(cc1)c1cncc(c1N1CCC2(CC1)CCNC2=O)Cl" . "LBFYQISQYCGDDW-UHFFFAOYSA-N" . "InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)" . "CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C" . "CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C" . "HHCBMISMPSAZBF-UHFFFAOYSA-N" . "InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)" . "N#Cc1c[nH]c(n1)C(=O)Nc1ccc(nc1C1=CCC(CC1)(C)C)C1CC(C)(C)OC(C1)(C)C" . "N#Cc1c[nH]c(n1)C(=O)Nc1ccc(nc1C1=CCC(CC1)(C)C)C1CC(C)(C)OC(C1)(C)C" . "BNVPFDRNGHMRJS-UHFFFAOYSA-N" . "InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)" . "OCC(C#Cc1ccc2c(c1)n(c1ncnc(n1)N)c(n2)C)(O)C" . "OCC(C#Cc1ccc2c(c1)n(c1ncnc(n1)N)c(n2)C)(O)C" . "XFZMSTKVAOPBGR-UHFFFAOYSA-N" . "InChI=1S/C16H16N6O2/c1-10-20-12-4-3-11(5-6-16(2,24)8-23)7-13(12)22(10)15-19-9-18-14(17)21-15/h3-4,7,9,23-24H,8H2,1-2H3,(H2,17,18,19,21)" . "Oc1ccc2c(c1SSc1c(O)ccc3c1cccc3)cccc2" . "Oc1ccc2c(c1SSc1c(O)ccc3c1cccc3)cccc2" . "RFAXLXKIAKIUDT-UHFFFAOYSA-N" . "InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H" . "CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)c1cncs1)Nc1ccc(cc1)N1CCN(CC1)C" . "CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)c1cncs1)Nc1ccc(cc1)N1CCN(CC1)C" . "DHUJCQOUWQMVCG-UHFFFAOYSA-N" . "InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)" . "Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C" . "Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C" . "ZVPDNRVYHLRXLX-UHFFFAOYSA-N" . "InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)" . "CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)F)N1CCNCC1" . "CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)F)N1CCNCC1" . "DHKFOIHIUYFSOF-UHFFFAOYSA-N" . "InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)" . "CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C" . "CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C" . "AYCPARAPKDAOEN-LJQANCHMSA-N" . "InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1" . "FC(CN1C2C=CC(=CC2N=C(C2C1C=CC(=C2)Cl)NC1CCN(C1)C(=O)NC(C)C)F)F" . "FC(CN1C2C=CC(=CC2N=C(C2C1C=CC(=C2)Cl)NC1CCN(C1)C(=O)NC(C)C)F)F" . "QPXRZHIUNWUCFG-UHFFFAOYSA-N" . "InChI=1S/C23H29ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16-21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)" . "Clc1ccc(cc1)CCCOCCCN1CCCCC1" . "Clc1ccc(cc1)CCCOCCCN1CCCCC1" . "NNACHAUCXXVJSP-UHFFFAOYSA-N" . "InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2" . "CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)[Si](C(C)(C)C)(C)C)O" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)[Si](C(C)(C)C)(C)C)O" . "XUSKJHCMMWAAHV-SANMLTNESA-N" . "InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1" . "COC(Cn1c(=O)n(c2c1c1cc(ccc1nc2)c1cncc(c1)C(O)(C)C)C)C" . "CO[C@H](Cn1c(=O)n(c2c1c1cc(ccc1nc2)c1cncc(c1)C(O)(C)C)C)C" . "ACCFLVVUVBJNGT-AWEZNQCLSA-N" . "InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1" . "Fc1ccc2c(c1)nc(c(c2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccn1" . "Fc1ccc2c(c1)nc(c(c2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccn1" . "KWRYMZHCQIOOEB-LBPRGKRZSA-N" . "InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-5-6-14(22)9-17(13)29-18(15)16-4-2-3-7-23-16/h2-12H,1H3,(H2,24,25,26,27,28)/t12-/m0/s1" . "CC(Oc1ccc(cc1F)c1nn(c2c1c(N)ncn2)C(c1oc2ccc(cc2c(=O)c1c1cccc(c1)F)F)C)C" . "CC(Oc1ccc(cc1F)c1nn(c2c1c(N)ncn2)[C@H](c1oc2ccc(cc2c(=O)c1c1cccc(c1)F)F)C)C" . "IUVCFHHAEHNCFT-INIZCTEOSA-N" . "InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1" . "OCCC(=O)N1CCC(CC1)c1nn(c(n1)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N)CC" . "OCCC(=O)N1CCC(CC1)c1nn(c(n1)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N)CC" . "ZGRDYKFVDCFJCZ-UHFFFAOYSA-N" . "InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)" . "COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C" . "COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C" . "UFKLYTOEMRFKAD-UHFFFAOYSA-N" . "InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)" . "COCCOc1cnc2c(c1)c(=O)n(cc2)C(c1nnc2n1cc(cc2F)c1cnn(c1)C)C" . "COCCOc1cnc2c(c1)c(=O)n(cc2)[C@@H](c1nnc2n1cc(cc2F)c1cnn(c1)C)C" . "DWHXUGDWKAIASB-CQSZACIVSA-N" . "InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1" . "CC#CC(=O)N1CCCC1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1" . "CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1" . "WDENQIQQYWYTPO-IBGZPJMESA-N" . "InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1" . "CN(C(c1cscc1)C(=O)Nc1ccc2c(c1)cc[nH]c2=O)C" . "CN(C(c1cscc1)C(=O)Nc1ccc2c(c1)cc[nH]c2=O)C" . "VDYRZXYYQMMFJW-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O2S/c1-20(2)15(12-6-8-23-10-12)17(22)19-13-3-4-14-11(9-13)5-7-18-16(14)21/h3-10,15H,1-2H3,(H,18,21)(H,19,22)" . "O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1" . "O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1" . "IPEXHQGMTHOKQV-UHFFFAOYSA-N" . "InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)" . "OC1CCN(C1)C(=O)Nc1cnn2c1nc(cc2)N1CCCC1c1cc(F)ccc1F" . "O[C@H]1CCN(C1)C(=O)Nc1cnn2c1nc(cc2)N1CCC[C@@H]1c1cc(F)ccc1F" . "NYNZQNWKBKUAII-KBXCAEBGSA-N" . "InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1" . "OCCCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1" . "OCCC/C(=C(/c1ccc(cc1)O)/c1ccc(cc1)OCCN(C)C)/c1ccccc1" . "ZVSFNBNLNLXEFQ-RQZHXJHFSA-N" . "InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-" . "O=C1NC(=O)C(S1)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1" . "O=C1NC(=O)C(S1)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1" . "HAAXAFNSRADSMK-UHFFFAOYSA-N" . "InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)" . "OC(=O)c1csc(c1)c1ccc2c(c1)cc1c(c2)C(C)(C)CCC1(C)C" . "OC(=O)c1csc(c1)c1ccc2c(c1)cc1c(c2)C(C)(C)CCC1(C)C" . "URUSABQSUCBGGJ-UHFFFAOYSA-N" . "InChI=1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)" . "CCCCCCOc1cc2c(cc1N(c1ncc(cn1)C(=O)O)C)C(C)(C)CCC2(C)C" . "CCCCCCOc1cc2c(cc1N(c1ncc(cn1)C(=O)O)C)C(C)(C)CCC2(C)C" . "JJUUTJCZMGZJDZ-UHFFFAOYSA-N" . "InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)" . "Cc1cc2c(cc1C(=C)c1ccc(c(c1)F)C(=O)O)C(C)(C)CCC2(C)C" . "Cc1cc2c(cc1C(=C)c1ccc(c(c1)F)C(=O)O)C(C)(C)CCC2(C)C" . "LWKAWHRSPCHMPJ-UHFFFAOYSA-N" . "InChI=1S/C24H27FO2/c1-14-11-19-20(24(5,6)10-9-23(19,3)4)13-18(14)15(2)16-7-8-17(22(26)27)21(25)12-16/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,26,27)" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Zn+2]" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Zn+2]" . "FUTVBRXUIKZACV-UHFFFAOYSA-L" . "InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Co+2]" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Co+2]" . "AQTFKGDWFRRIHR-UHFFFAOYSA-L" . "InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2" . "CCOC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "CCOC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "MMJJNHOIVCGAAP-UHFFFAOYSA-N" . "InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3" . "CCCCCNC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "CCCCCNC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "PPUYOYQTTWJTIU-UHFFFAOYSA-N" . "InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)" . "Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2)O" . "Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2)O" . "FURUXTVZLHCCNA-UHFFFAOYSA-N" . "InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2" . "ON=Cc1ccc(c(c1O)Cl)c1ccc(c(c1)F)O" . "O/N=C/c1ccc(c(c1O)Cl)c1ccc(c(c1)F)O" . "LRRMQNGSYOUANY-OMCISZLKSA-N" . "InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+" . "Oc1ccc(cc1)C1(CCC(CC1)(F)F)c1ccccc1F" . "Oc1ccc(cc1)C1(CCC(CC1)(F)F)c1ccccc1F" . "HSMUKSLNDJOZQG-UHFFFAOYSA-N" . "InChI=1S/C18H17F3O/c19-16-4-2-1-3-15(16)17(9-11-18(20,21)12-10-17)13-5-7-14(22)8-6-13/h1-8,22H,9-12H2" . "Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C" . "Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C" . "NIDVDYQCGWISJZ-UHFFFAOYSA-N" . "InChI=1S/C19H23ClN6O2/c1-22-17-16(18(27)23(2)19(22)28)26(13-21-17)12-9-24-7-10-25(11-8-24)15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3" . "Nc1scc(c1C(=O)c1ccccc1)c1cccc(c1)C(F)(F)F" . "Nc1scc(c1C(=O)c1ccccc1)c1cccc(c1)C(F)(F)F" . "HNHLVOBHWXLIGP-UHFFFAOYSA-N" . "InChI=1S/C18H12F3NOS/c19-18(20,21)13-8-4-7-12(9-13)14-10-24-17(22)15(14)16(23)11-5-2-1-3-6-11/h1-10H,22H2" . "ONC(=O)CCCCCCOc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C" . "ONC(=O)CCCCCCOc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C" . "PLIVFNIUGLLCEK-UHFFFAOYSA-N" . "InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)" . "CCC1(O)C(=O)OCc2c1cc1c3nc4cc5OCOc5cc4cc3Cn1c2=O" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cc5OCOc5cc4cc3Cn1c2=O" . "RPFYDENHBPRCTN-NRFANRHFSA-N" . "InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1" . "CCC1(O)C(=O)OCc2c1cc1c3nc4cnc(cc4c(c3Cn1c2=O)C)Br" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cnc(cc4c(c3Cn1c2=O)C)Br" . "WBLBIGPXRKCBEI-FQEVSTJZSA-N" . "InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1" . "Cc1cc(Nc2ccc(cc2)NC(=O)c2ccc(cc2)Nc2ccnc3c2cccc3)nc(n1)N" . "Cc1cc(Nc2ccc(cc2)NC(=O)c2ccc(cc2)Nc2ccnc3c2cccc3)nc(n1)N" . "QSYLKMKIVWJAAK-UHFFFAOYSA-N" . "InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)" . "OC(=O)CCC(N1Cc2c(C1=O)ccc(c2)NCc1cnc2c(n1)c(N)nc(n2)N)C(=O)O" . "OC(=O)CC[C@H](N1Cc2c(C1=O)ccc(c2)NCc1cnc2c(n1)c(N)nc(n2)N)C(=O)O" . "NYPQVENKFXVRKJ-ZDUSSCGKSA-N" . "InChI=1S/C20H20N8O5/c21-16-15-17(27-20(22)26-16)24-7-11(25-15)6-23-10-1-2-12-9(5-10)8-28(18(12)31)13(19(32)33)3-4-14(29)30/h1-2,5,7,13,23H,3-4,6,8H2,(H,29,30)(H,32,33)(H4,21,22,24,26,27)/t13-/m0/s1" . "Brc1cc(ccc1OC1CCNCC1)CN1CCC(C1)NC(=O)c1ccc(c(c1)Cl)Cl" . "Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl" . "SXVZDDYARZWATR-KRWDZBQOSA-N" . "InChI=1S/C23H26BrCl2N3O2/c24-19-11-15(1-4-22(19)31-18-5-8-27-9-6-18)13-29-10-7-17(14-29)28-23(30)16-2-3-20(25)21(26)12-16/h1-4,11-12,17-18,27H,5-10,13-14H2,(H,28,30)/t17-/m0/s1" . "Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1" . "Clc1ccc(c(c1)Cl)[C@@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1" . "XMAYWYJOQHXEEK-JYFHCDHNSA-N" . "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1" . "Oc1ccc2c(c1)CNC(C2)C(=O)NC(C(C)C)CN1CCC(CC1)c1cccc(c1)O" . "Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CCC(CC1)c1cccc(c1)O" . "LGYDWJJZDCXEOV-JWQCQUIFSA-N" . "InChI=1S/C26H35N3O3/c1-17(2)25(16-29-10-8-18(9-11-29)19-4-3-5-22(30)12-19)28-26(32)24-14-20-6-7-23(31)13-21(20)15-27-24/h3-7,12-13,17-18,24-25,27,30-31H,8-11,14-16H2,1-2H3,(H,28,32)/t24-,25-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CSCC(C(=O)NCC(=O)NC(C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N)CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(C1=O)CCNC(=O)CCCCC[N+]1=C(C=CC=CC=C2Cc3c(N2CC)ccc(c3)S(=O)(=O)[O-])Cc2c1ccc(c2)S(=O)(=O)[O-]" . "CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CSC[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N)CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(C1=O)CCNC(=O)CCCCC[N+]1=C(/C=C/C=C/C=C/2/Cc3c(N2CC)ccc(c3)S(=O)(=O)[O-])Cc2c1ccc(c2)S(=O)(=O)[O-]" . "UNILWMWFPHPYOR-KXEYIPSPSA-M" . "InChI=1S/C109H176N12O30S4/c1-4-7-9-11-13-15-17-19-21-23-25-27-34-44-105(131)150-78-89(151-106(132)45-35-28-26-24-22-20-18-16-14-12-10-8-5-2)83-152-84-93(108(134)116-76-100(126)117-92(77-122)107(133)115-54-40-61-145-65-69-147-68-64-143-59-38-52-112-101(127)80-148-79-97(110)123)118-103(129)82-149-81-102(128)113-53-39-60-144-63-67-146-66-62-142-58-37-51-111-99(125)50-70-153-96-75-104(130)121(109(96)135)57-55-114-98(124)43-33-30-36-56-120-88(72-86-74-91(155(139,140)141)47-49-95(86)120)42-32-29-31-41-87-71-85-73-90(154(136,137)138)46-48-94(85)119(87)6-3/h29,31-32,41-42,46-49,73-74,89,92-93,96,122H,4-28,30,33-40,43-45,50-72,75-84H2,1-3H3,(H11-,110,111,112,113,114,115,116,117,118,123,124,125,126,127,128,129,133,134,136,137,138,139,140,141)/p-1/t89-,92-,93+,96?/m1/s1" . "Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2c1cccc2" . "Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2c1cccc2" . "SRFABRWQVPCPRG-UHFFFAOYSA-N" . "InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)" . "OC(=O)CN(S(=O)(=O)C)c1c(Cl)c(C)cc2c1[nH]c(=O)c(=O)[nH]2" . "OC(=O)CN(S(=O)(=O)C)c1c(Cl)c(C)cc2c1[nH]c(=O)c(=O)[nH]2" . "JQCXJCAKYWSWCH-UHFFFAOYSA-N" . "InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)" . "O=C1SC(=Cc2ccc(c(c2)C(F)(F)F)O)C(=O)N1CC(CC(F)(F)F)(CC(F)(F)F)C" . "O=C1S/C(=C/c2ccc(c(c2)C(F)(F)F)O)/C(=O)N1CC(CC(F)(F)F)(CC(F)(F)F)C" . "KSFQOHIAWRETBP-XGICHPGQSA-N" . "InChI=1S/C18H14F9NO3S/c1-15(6-16(19,20)21,7-17(22,23)24)8-28-13(30)12(32-14(28)31)5-9-2-3-11(29)10(4-9)18(25,26)27/h2-5,29H,6-8H2,1H3/b12-5-" . "COc1ccc2c(n1)cc(cc2)C(=O)N1CCC2(CC1)NC(=O)c1c(C2)cn(n1)C(C)(C)C" . "COc1ccc2c(n1)cc(cc2)C(=O)N1CCC2(CC1)NC(=O)c1c(C2)cn(n1)C(C)(C)C" . "ZXUGLISADYYLBK-UHFFFAOYSA-N" . "InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-22(31)21(18)28-30)9-11-29(12-10-25)23(32)17-6-5-16-7-8-20(33-4)26-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,27,31)" . "CCCC(=O)NC(C(=O)NCCCCCCCCCCCN)Cc1ccc(cc1)O" . "CCCC(=O)N[C@H](C(=O)NCCCCCCCCCCCN)Cc1ccc(cc1)O" . "OZVULFLAPUPPFK-QFIPXVFZSA-N" . "InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16-14-20)24(30)26-18-11-9-7-5-3-4-6-8-10-17-25/h13-16,22,28H,2-12,17-19,25H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1" . "CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1cccs1)c1c2ccs1" . "CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1cccs1)c1c2ccs1" . "UYFZCWXRMHSLTC-UHFFFAOYSA-N" . "InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)" . "Fc1ccc(cc1)n1c(C)cc(c1C)C(=O)CN1CCCC1" . "Fc1ccc(cc1)n1c(C)cc(c1C)C(=O)CN1CCCC1" . "JUWDSDKJBMFLHE-UHFFFAOYSA-N" . "InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3" . "CCCCCCCCCCCCCSC=CC(NC(=O)CCCCCCC)CO" . "CCCCCCCCCCCCCS/C=C/[C@@H](NC(=O)CCCCCCC)CO" . "NYZFADNSXWSJDZ-PPEFQKSUSA-N" . "InChI=1S/C25H49NO2S/c1-3-5-7-9-10-11-12-13-14-16-18-21-29-22-20-24(23-27)26-25(28)19-17-15-8-6-4-2/h20,22,24,27H,3-19,21,23H2,1-2H3,(H,26,28)/b22-20+/t24-/m1/s1" . "Clc1ccc(cc1)COc1ccsc1C(=O)NC(c1ccccc1)C" . "Clc1ccc(cc1)COc1ccsc1C(=O)N[C@H](c1ccccc1)C" . "RFZPGNRLOKVZJY-AWEZNQCLSA-N" . "InChI=1S/C20H18ClNO2S/c1-14(16-5-3-2-4-6-16)22-20(23)19-18(11-12-25-19)24-13-15-7-9-17(21)10-8-15/h2-12,14H,13H2,1H3,(H,22,23)/t14-/m0/s1" . "NC1=C(Cl)C(=O)C(=CC1=NNc1ccc(cc1)S(=O)(=O)Nc1ccccn1)C" . "NC1=C(Cl)C(=O)C(=C/C/1=N/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)C" . "GLWPTCULLHMSCO-OEAKJJBVSA-N" . "InChI=1S/C18H16ClN5O3S/c1-11-10-14(17(20)16(19)18(11)25)23-22-12-5-7-13(8-6-12)28(26,27)24-15-4-2-3-9-21-15/h2-10,22H,20H2,1H3,(H,21,24)/b23-14+" . "Fc1cccc(c1c1nc2c([nH]1)c(=O)[nH]c1c2ccc(c1)c1ccccc1)Cl" . "Fc1cccc(c1c1nc2c([nH]1)c(=O)[nH]c1c2ccc(c1)c1ccccc1)Cl" . "VTGCIWWYBFGGNJ-UHFFFAOYSA-N" . "InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)" . "N#Cc1nc(Nc2cc(F)cc(c2)F)c2c(n1)n(cn2)CC(F)F" . "N#Cc1nc(Nc2cc(F)cc(c2)F)c2c(n1)n(cn2)CC(F)F" . "VMJFQUMKCMNFSX-UHFFFAOYSA-N" . "InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)" . "CC1COC(O1)(CCc1ccc(cc1)Cl)Cn1cncc1" . "C[C@@H]1CO[C@@](O1)(CCc1ccc(cc1)Cl)Cn1cncc1" . "PUVVRSXPYYFNAP-CZUORRHYSA-N" . "InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1" . "Clc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(C2)(O)c1ncccn1" . "Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1CC(C2)(O)c1ncccn1" . "MQWMHMZNBGQNMT-LDSCYUJKSA-N" . "InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)22(19-7-2-4-9-21(19)26)29-16-10-11-17(29)15-24(30,14-16)23-27-12-5-13-28-23/h1-9,12-13,16-17,22,30H,10-11,14-15H2/t16-,17+,24?" . "Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1" . "Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1" . "LOSJNRBXNQTUNT-UHFFFAOYSA-N" . "InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3" . "O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2" . "O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2" . "SZKWDIATUVLAAW-UHFFFAOYSA-N" . "InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2" . "Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1" . "Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1" . "CSMVOZKEWSOFER-UHFFFAOYSA-N" . "InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3" . "COc1ccc(cc1)C1N(c2ccccc2)C(=O)C1(F)F" . "COc1ccc(cc1)C1N(c2ccccc2)C(=O)C1(F)F" . "AIIIYUSGINMZMS-UHFFFAOYSA-N" . "InChI=1S/C16H13F2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3" . "O=C1NCN(C21CCN(CC2)C1Cc2c3c1cccc3ccc2)c1ccccc1" . "O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1" . "BBOAHBVXCYBKLC-JOCHJYFZSA-N" . "InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1" . "CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl" . "CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl" . "YUAALFPUEOYPNX-UHFFFAOYSA-N" . "InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)" . "C=CC(=O)Nc1cccc(c1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC)C" . "C=CC(=O)Nc1cccc(c1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC)C" . "TXEBNKKOLVBTFK-UHFFFAOYSA-N" . "InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)" . "O=C(NCc1ccc(cc1)Br)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1" . "O=C(NCc1ccc(cc1)Br)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1" . "CZAFIFBJBFDMTP-UHFFFAOYSA-N" . "InChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(CC)C)CCC(=O)N)CCCCN)C)C)CC(=O)O)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)N)CC(=O)O)CCCCN " . "CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC" . "WQWSKHPVGKVCQT-KXOXSZQSSA-N" . "InChI=1S/C78H132N20O19/c1-13-43(9)63(83)77(116)97-59(38-62(102)103)76(115)95-57(36-47-39-85-49-24-16-15-23-48(47)49)75(114)90-51(26-18-21-31-80)69(108)89-52(27-19-22-32-81)70(109)93-55(34-41(5)6)73(112)94-56(35-42(7)8)74(113)96-58(37-61(100)101)72(111)87-45(11)66(105)86-46(12)67(106)88-50(25-17-20-30-79)68(107)91-53(28-29-60(82)99)71(110)98-64(44(10)14-2)78(117)92-54(65(84)104)33-40(3)4/h15-16,23-24,39-46,50-59,63-64,85H,13-14,17-22,25-38,79-81,83H2,1-12H3,(H2,82,99)(H2,84,104)(H,86,105)(H,87,111)(H,88,106)(H,89,108)(H,90,114)(H,91,107)(H,92,117)(H,93,109)(H,94,112)(H,95,115)(H,96,113)(H,97,116)(H,98,110)(H,100,101)(H,102,103)/t43-,44-,45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-,64-/m0/s1" . "NC(C(=O)O)C=COCCN" . "N[C@H](C(=O)O)/C=C/OCCN" . "USGUVNUTPWXWBA-JRIXXDKMSA-N" . "InChI=1S/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1" . "NC(C(=O)O)CC#N" . "N[C@H](C(=O)O)CC#N" . "BXRLWGXPSRYJDZ-VKHMYHEASA-N" . "InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1" . "COc1cc(C=Cc2ccc(c(c2)OP(=O)(O)O)OC)cc(c1OC)OC" . "COc1cc(/C=C/c2ccc(c(c2)OP(=O)(O)O)OC)cc(c1OC)OC" . "WDOGQTQEKVLZIJ-WAYWQWQTSA-N" . "InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/b6-5-" . "CCCNC(=O)COc1ccc(cc1)c1oc2c(c1C#Cc1cccc(c1)Cl)cc(c(c2)O)C(=O)O" . "CCCNC(=O)COc1ccc(cc1)c1oc2c(c1C#Cc1cccc(c1)Cl)cc(c(c2)O)C(=O)O" . "ZAKVHDWXAFAMTH-UHFFFAOYSA-N" . "InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)" . "CNC(C(=O)NC1CCCCC2N(C1=O)C(CC2)C(=O)NC(c1ccccc1)c1ccccc1)C" . "CN[C@H](C(=O)N[C@H]1CCCC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)NC(c1ccccc1)c1ccccc1)C" . "XBTLZUHJBOBKRG-HCUBDLJJSA-N" . "InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1" . "COc1cc(C=Cc2ccc(c(c2)O)OC)cc(c1OC)OC" . "COc1cc(/C=C/c2ccc(c(c2)O)OC)cc(c1OC)OC" . "HVXBOLULGPECHP-WAYWQWQTSA-N" . "InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)O)C=CS(=O)(=O)C)CC(C)C)CCC(=O)N)CO)NC(=O)C)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)CC(C)C)CCC(=O)N)CO)NC(=O)C)C" . "CYOSFMPARINMQP-DRFTYPOQSA-N" . "InChI=1S/C28H48N6O11S/c1-7-16(4)24(30-17(5)36)28(43)34-21(14-35)27(42)32-19(8-9-22(29)37)25(40)33-20(12-15(2)3)26(41)31-18(13-23(38)39)10-11-46(6,44)45/h10-11,15-16,18-21,24,35H,7-9,12-14H2,1-6H3,(H2,29,37)(H,30,36)(H,31,41)(H,32,42)(H,33,40)(H,34,43)(H,38,39)/b11-10+/t16-,18+,19-,20-,21-,24-/m0/s1" . "COc1ccc2c(c1)CCC(C2=O)Cc1ccccc1Br" . "COc1ccc2c(c1)CCC(C2=O)Cc1ccccc1Br" . "GKGZPFKBDIIBHB-UHFFFAOYSA-N" . "InChI=1S/C18H17BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-9,11,14H,6-7,10H2,1H3" . "C#CCCCCCCCCCCCCCCCC(=O)O" . "C#CCCCCCCCCCCCCCCCC(=O)O" . "DZIILFGADWDKMF-UHFFFAOYSA-N" . "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)" . "OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br" . "OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br" . "ZBPLOVFIXSTCRZ-UHFFFAOYSA-N" . "InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)" . "O=C(N(c1ccc(c(c1)O)C(=O)O)Cc1ccc(cc1)C1CCCCC1)CN(S(=O)(=O)c1cccc2c1cccc2N(C)C)C" . "O=C(N(c1ccc(c(c1)O)C(=O)O)Cc1ccc(cc1)C1CCCCC1)CN(S(=O)(=O)c1cccc2c1cccc2N(C)C)C" . "JOFDSYLCZIHGGO-UHFFFAOYSA-N" . "InChI=1S/C35H39N3O6S/c1-36(2)31-13-7-12-29-28(31)11-8-14-33(29)45(43,44)37(3)23-34(40)38(27-19-20-30(35(41)42)32(39)21-27)22-24-15-17-26(18-16-24)25-9-5-4-6-10-25/h7-8,11-21,25,39H,4-6,9-10,22-23H2,1-3H3,(H,41,42)" . "N#CC(c1ccccc1OCc1ccccc1)Nc1ccccc1OC" . "N#CC(c1ccccc1OCc1ccccc1)Nc1ccccc1OC" . "KYFXPHPBTUJULU-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O2/c1-25-22-14-8-6-12-19(22)24-20(15-23)18-11-5-7-13-21(18)26-16-17-9-3-2-4-10-17/h2-14,20,24H,16H2,1H3" . "Nc1ccc(cc1)S(=O)(=O)N(c1ccnn1c1ccccc1)C(C)C" . "Nc1ccc(cc1)S(=O)(=O)N(c1ccnn1c1ccccc1)C(C)C" . "XBGCSAANSNGXGH-UHFFFAOYSA-N" . "InChI=1S/C18H20N4O2S/c1-14(2)22(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-14H,19H2,1-2H3" . "O[C@@H]1C[C@@H]2N(C1)C(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)CC(=O)N)C(=O)N)N)Cc1ccc(c(c1)[N+](=O)[O-])O" . "C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=O)Cc1cc(c(cc1)O)[N+](=O)[O-])CC(=O)O)N)C(=O)N)CC(=O)N)O" . "VALZMCWLPCJDLL-KXXTWUBKSA-N" . "InChI=1S/C32H43N11O15S2/c33-15-11-59-60-12-19(27(35)51)41-31(55)17(6-23(34)46)40-32(56)21-5-14(44)10-42(21)25(48)9-37-29(53)16(3-13-1-2-22(45)20(4-13)43(57)58)38-24(47)8-36-30(54)18(7-26(49)50)39-28(15)52/h1-2,4,14-19,21,44-45H,3,5-12,33H2,(H2,34,46)(H2,35,51)(H,36,54)(H,37,53)(H,38,47)(H,39,52)(H,40,56)(H,41,55)(H,49,50)/t14-,15+,16+,17+,18-,19+,21+/m1/s1" . "Clc1ccc(cc1)S(=O)(=O)C12CCOC(C1COc1c2c(F)ccc1F)CCS(=O)(=O)C" . "Clc1ccc(cc1)S(=O)(=O)[C@@]12CCO[C@H]([C@@H]1COc1c2c(F)ccc1F)CCS(=O)(=O)C" . "AMXSRXZYBDALJG-XERREHJYSA-N" . "InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1" . "CCCCCCCCCCCCCCCC(=O)NC(C(c1ccccc1)O)CC(P(=O)(O)O)(F)F" . "CCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](c1ccccc1)O)CC(P(=O)(O)O)(F)F" . "KQPGDBVGEXAZAW-UKILVPOCSA-N" . "InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1" . "ONC(=O)C(N(S(=O)(=O)c1ccc(cc1)OC)Cc1cccnc1)C(C)C" . "ONC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)OC)Cc1cccnc1)C(C)C" . "BSIZUMJRKYHEBR-QGZVFWFLSA-N" . "InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1" . "O=C(C=C(n1cnc2c1cccn2)c1ccccc1)OC1CC(OCC2CC2c2ccc(cc2)Cl)(CC(C1O)O)C(=O)O" . "O=C(/C=C(/n1cnc2c1cccn2)/c1ccccc1)O[C@@H]1C[C@@](OC[C@@H]2C[C@@H]2c2ccc(cc2)Cl)(C[C@H]([C@H]1O)O)C(=O)O" . "MYXPHMOLFCUDIL-MLFVSVOESA-N" . "InChI=1S/C32H30ClN3O7/c33-22-10-8-19(9-11-22)23-13-21(23)17-42-32(31(40)41)15-26(37)29(39)27(16-32)43-28(38)14-25(20-5-2-1-3-6-20)36-18-35-30-24(36)7-4-12-34-30/h1-12,14,18,21,23,26-27,29,37,39H,13,15-17H2,(H,40,41)/b25-14-/t21-,23+,26+,27+,29+,32-/m0/s1" . "OC1C(OP(=S)(O)O)C(OP(=S)(O)O)C(C(C1O)OP(=O)(O)O)O" . "OC1C(OP(=S)(O)O)C(OP(=S)(O)O)C(C(C1O)OP(=O)(O)O)O" . "OEKHZIJBKVQWQC-UHFFFAOYSA-N" . "InChI=1S/C6H15O13P3S2/c7-1-2(8)5(18-21(13,14)23)6(19-22(15,16)24)3(9)4(1)17-20(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,23)(H2,15,16,24)" . "O=C(CC12CCC3(C(C1=CCC1C2(C)CCC2C1(C)CCC(C2(C)C)O)C(C)C(CC3)C)C(=O)O)C=Cc1ccc(cc1)O" . "O=C(C[C@@]12CC[C@@]3([C@H](C1=CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)[C@@H](C)[C@@H](CC3)C)C(=O)O)/C=C/c1ccc(cc1)O" . "NOTLGMDYQMIWNO-ZBFFZJPBSA-N" . "InChI=1S/C39H54O5/c1-24-15-20-38(34(43)44)21-22-39(23-28(41)12-9-26-7-10-27(40)11-8-26)29(33(38)25(24)2)13-14-31-36(5)18-17-32(42)35(3,4)30(36)16-19-37(31,39)6/h7-13,24-25,30-33,40,42H,14-23H2,1-6H3,(H,43,44)/b12-9+/t24-,25+,30+,31-,32+,33+,36+,37-,38+,39+/m1/s1" . "OC1CCC(CC1)Nc1nc2ccc(cc2n2c1ncc2)C(=O)NC1(CC1)c1ccccc1" . "OC1CCC(CC1)Nc1nc2ccc(cc2n2c1ncc2)C(=O)NC1(CC1)c1ccccc1" . "YOOLXKXFWTXRHM-UHFFFAOYSA-N" . "InChI=1S/C26H27N5O2/c32-20-9-7-19(8-10-20)28-23-24-27-14-15-31(24)22-16-17(6-11-21(22)29-23)25(33)30-26(12-13-26)18-4-2-1-3-5-18/h1-6,11,14-16,19-20,32H,7-10,12-13H2,(H,28,29)(H,30,33)" . "C=CC(=O)c1ccc(cc1)O" . "C=CC(=O)c1ccc(cc1)O" . "NKPPNPJUBLEKAD-UHFFFAOYSA-N" . "InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,10H,1H2" . "OCCNC(=O)c1cccc(c1)c1cccc2c1cc(o2)Cc1cccc(c1)C(F)(F)F" . "OCCNC(=O)c1cccc(c1)c1cccc2c1cc(o2)Cc1cccc(c1)C(F)(F)F" . "LBKIJSKRXVUWER-UHFFFAOYSA-N" . "InChI=1S/C25H20F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)" . "Nc1ccc(cn1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1cccc(c1)C(F)(F)F" . "Nc1ccc(cn1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1cccc(c1)C(F)(F)F" . "GUXXEUUYCAYESJ-UHFFFAOYSA-N" . "InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)" . "OC(=O)C=Cc1ccc(c(c1)Cl)c1ccc(c(c1)C12CC3CC(C2)(CC(C1)(C3)C)C)O" . "OC(=O)/C=C/c1ccc(c(c1)Cl)c1ccc(c(c1)C12CC3CC(C2)(CC(C1)(C3)C)C)O" . "DIXYWCRPNNUEHU-XBXARRHUSA-N" . "InChI=1S/C27H29ClO3/c1-25-11-18-12-26(2,14-25)16-27(13-18,15-25)21-10-19(5-7-23(21)29)20-6-3-17(9-22(20)28)4-8-24(30)31/h3-10,18,29H,11-16H2,1-2H3,(H,30,31)/b8-4+" . "CC[N+](Cc1ccccc1Br)(C)C" . "CC[N+](Cc1ccccc1Br)(C)C" . "AAQOQKQBGPPFNS-UHFFFAOYSA-N" . "InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1" . "OCC1OC(C(C1O)O)Oc1cc(O)cc(c1C(=O)CCc1ccc(cc1)O)O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)Oc1cc(O)cc(c1C(=O)CCc1ccc(cc1)O)O" . "ONBQEOIKXPHGMB-VBSBHUPXSA-N" . "InChI=1S/C20H22O9/c21-9-16-18(26)19(27)20(29-16)28-15-8-12(23)7-14(25)17(15)13(24)6-3-10-1-4-11(22)5-2-10/h1-2,4-5,7-8,16,18-23,25-27H,3,6,9H2/t16-,18-,19-,20-/m1/s1" . "CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O" . "CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O" . "PBIBEWTURATALQ-UHFFFAOYSA-N" . "InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3" . "OC(=O)c1sccc1SCc1ccc(c(c1)Cl)Cl" . "OC(=O)c1sccc1SCc1ccc(c(c1)Cl)Cl" . "UCHDVTOVFHVWOS-UHFFFAOYSA-N" . "InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)" . "NC(=NCCCC(C(=O)O)N)CC=C" . "NC(=NCCC[C@@H](C(=O)O)N)CC=C" . "LMDRHVQXMBGSGU-ZETCQYMHSA-N" . "InChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,7H,1,3-6,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1" . "CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)O)C" . "CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)O)C" . "HQWXZTRYIWULAX-UHFFFAOYSA-N" . "InChI=1S/C24H25N5O7S/c1-4-6-17-20-21(29(3)27-17)23(31)26-22(25-20)16-12-14(8-10-19(16)36-5-2)37(34,35)28-13-7-9-18(30)15(11-13)24(32)33/h7-12,28,30H,4-6H2,1-3H3,(H,32,33)(H,25,26,31)" . "O=C(N(C1CNCC1)CCc1ccccc1Cl)c1ccc(cc1)CN1CCCC(C1)c1ccccc1C" . "O=C(N(C1CNCC1)CCc1ccccc1Cl)c1ccc(cc1)CN1CCCC(C1)c1ccccc1C" . "PHVXTQIROLEEDB-UHFFFAOYSA-N" . "InChI=1S/C32H38ClN3O/c1-24-7-2-4-10-30(24)28-9-6-19-35(23-28)22-25-12-14-27(15-13-25)32(37)36(29-16-18-34-21-29)20-17-26-8-3-5-11-31(26)33/h2-5,7-8,10-15,28-29,34H,6,9,16-23H2,1H3" . "CNC(=O)Nc1ccc(cc1)c1nccc(c1)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N(CC)CC)Cl" . "CNC(=O)Nc1ccc(cc1)c1nccc(c1)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N(CC)CC)Cl" . "RZFJBSIAXYEPBX-UHFFFAOYSA-N" . "InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)" . "CC([n+]1ccc(c2c1cccc2)C=c1ccc2c(n1C(C)C)cccc2)C" . "CC([n+]1ccc(c2c1cccc2)/C=c/1/ccc2c(n1C(C)C)cccc2)C" . "TYFOKKOWQOKKCH-UHFFFAOYSA-N" . "InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1" . "CCN(CCOc1cc(CCCCc2ccc(c(c2)OCCN(CC)CC)OCCN(CC)CC)ccc1OCCN(CC)CC)CC" . "CCN(CCOc1cc(CCCCc2ccc(c(c2)OCCN(CC)CC)OCCN(CC)CC)ccc1OCCN(CC)CC)CC" . "QROCYVPJPWZLIK-UHFFFAOYSA-N" . "InChI=1S/C40H70N4O4/c1-9-41(10-2)25-29-45-37-23-21-35(33-39(37)47-31-27-43(13-5)14-6)19-17-18-20-36-22-24-38(46-30-26-42(11-3)12-4)40(34-36)48-32-28-44(15-7)16-8/h21-24,33-34H,9-20,25-32H2,1-8H3" . "Cc1nnc2n1nc(c1ccc(c(c1)NS(=O)(=O)C)N1CCOCC1)c1c2cccc1" . "Cc1nnc2n1nc(c1ccc(c(c1)NS(=O)(=O)C)N1CCOCC1)c1c2cccc1" . "MYFFGZYMLKZBPZ-UHFFFAOYSA-N" . "InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3" . "C=CCN1C(=S)NC(=O)C(=Cc2ccc(o2)c2cccc(c2Cl)Cl)C1=O" . "C=CCN1C(=S)NC(=O)/C(=C/c2ccc(o2)c2cccc(c2Cl)Cl)/C1=O" . "NASLGRREAVKNNT-FMIVXFBMSA-N" . "InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+" . "CCCCCCCC(=O)OC1C(=O)C(=C2C1C(C)(OC(=O)C)CC(C1(C2OC(=O)C1(C)O)O)OC(=O)CCCCCCCCCCCNC(=O)CCC(C(=O)O)N)C" . "CCCCCCCC(=O)O[C@@H]1C(=O)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCCCCCCCCCCNC(=O)CCC(C(=O)O)N)C" . "WSISVGWHSKNHQQ-JEWAQKBPSA-N" . "InChI=1S/C42H66N2O14/c1-6-7-8-14-17-21-32(48)56-36-34-33(26(2)35(36)49)37-42(54,41(5,53)39(52)57-37)29(25-40(34,4)58-27(3)45)55-31(47)20-18-15-12-10-9-11-13-16-19-24-44-30(46)23-22-28(43)38(50)51/h28-29,34,36-37,53-54H,6-25,43H2,1-5H3,(H,44,46)(H,50,51)/t28?,29-,34+,36-,37-,40-,41+,42+/m0/s1" . "Oc1ccccc1c1ccc(cc1)c1ccc2c(c1)c(O)c(c(n2)O)O" . "Oc1ccccc1c1ccc(cc1)c1ccc2c(c1)c(O)c(c(n2)O)O" . "DMDAXRKDNRQTIF-UHFFFAOYSA-N" . "InChI=1S/C21H15NO4/c23-18-4-2-1-3-15(18)13-7-5-12(6-8-13)14-9-10-17-16(11-14)19(24)20(25)21(26)22-17/h1-11,23,25H,(H2,22,24,26)" . "O=C(c1cc2c([nH]1)c(ccc2)[N+](=O)[O-])NCCc1ccccc1" . "O=C(c1cc2c([nH]1)c(ccc2)[N+](=O)[O-])NCCc1ccccc1" . "VXDJRTJBOJFUOC-UHFFFAOYSA-N" . "InChI=1S/C17H15N3O3/c21-17(18-10-9-12-5-2-1-3-6-12)14-11-13-7-4-8-15(20(22)23)16(13)19-14/h1-8,11,19H,9-10H2,(H,18,21)" . "OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(CCS(=O)(=N)c2ccccc2)C)C)C1" . "O[C@H]1C[C@H](O)C(=C)/C(=C/C=C/2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCS(=O)(=N)c2ccccc2)C)C)/C1" . "FANCTJAFZSYTIS-IQUVVAJASA-N" . "InChI=1S/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,20,24,26-28,30-32H,2,7-8,13-19H2,1,3H3/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1" . "CN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)Cc1ccccc1" . "CN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)Cc1ccccc1" . "XTKDQPFUOFAMRL-UHFFFAOYSA-N" . "InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)" . "CCCCCCCCCCCCCC(=O)NC(C(c1ccccc1)O)C" . "CCCCCCCCCCCCCC(=O)N[C@@H]([C@H](c1ccccc1)O)C" . "YLAZEWZHIRBZDA-NFBKMPQASA-N" . "InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(25)24-20(2)23(26)21-17-14-13-15-18-21/h13-15,17-18,20,23,26H,3-12,16,19H2,1-2H3,(H,24,25)/t20-,23-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCSC)CC(C)C)CCCCNC(=S)C)NC(=O)C(N)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCSC)CC(C)C)CCCCNC(=S)C)NC(=O)[C@@H](N)C" . "IIESJRORKKINMK-SVXFZJLFSA-N" . "InChI=1S/C28H53N7O6S2/c1-17(2)16-23(27(39)34-22(28(40)41)12-15-43-5)35-26(38)21(11-7-9-14-31-19(4)42)33-25(37)20(10-6-8-13-29)32-24(36)18(3)30/h17-18,20-23H,6-16,29-30H2,1-5H3,(H,31,42)(H,32,36)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t18-,20-,21-,22-,23-/m0/s1" . "O=C1C(N)Cc2c(N1O)ccc(c2)Oc1ccccc1" . "O=C1[C@@H](N)Cc2c(N1O)ccc(c2)Oc1ccccc1" . "COBQSWIQOSRUIK-ZDUSSCGKSA-N" . "InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1" . "NC(=N)SCc1cc(F)ccc1Sc1ccc(cc1CSC(=N)N)[N+](=O)[O-]" . "NC(=N)SCc1cc(F)ccc1Sc1ccc(cc1CSC(=N)N)[N+](=O)[O-]" . "KPKVFORNVZIISV-UHFFFAOYSA-N" . "InChI=1S/C16H16FN5O2S3/c17-11-1-3-13(9(5-11)7-25-15(18)19)27-14-4-2-12(22(23)24)6-10(14)8-26-16(20)21/h1-6H,7-8H2,(H3,18,19)(H3,20,21)" . "CC(Cn1c2sc(c(c2c(=O)n(c1=O)C)C(=O)N1CCC(C1)O)Cc1ccnc2c1cccc2)C" . "CC(Cn1c2sc(c(c2c(=O)n(c1=O)C)C(=O)N1CC[C@H](C1)O)Cc1ccnc2c1cccc2)C" . "JOFQERPJMGKMMX-QGZVFWFLSA-N" . "InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1" . "Clc1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1ccc(c2)c1ccc(c(c1)F)c1ccccc1C)C" . "Clc1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1ccc(c2)c1ccc(c(c1)F)c1ccccc1C)C" . "IYCJVTFMIQICDJ-UHFFFAOYSA-N" . "InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)" . "O=C1NC(=S)N(C(=O)C1=Cc1cccs1)c1ccccc1F" . "O=C1NC(=S)N(C(=O)/C/1=C/c1cccs1)c1ccccc1F" . "MKKQUOFAFVQDCS-NTMALXAHSA-N" . "InChI=1S/C15H9FN2O2S2/c16-11-5-1-2-6-12(11)18-14(20)10(13(19)17-15(18)21)8-9-4-3-7-22-9/h1-8H,(H,17,19,21)/b10-8-" . "CCCOCCn1c2cc(ncc2nc(c1=O)NCc1cnccn1)c1ccc(nc1)OC" . "CCCOCCn1c2cc(ncc2nc(c1=O)NCc1cnccn1)c1ccc(nc1)OC" . "HCCNBKFJYUWLEX-UHFFFAOYSA-N" . "InChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-20-11-18(16-4-5-21(32-2)27-12-16)26-15-19(20)29-22(23(30)31)28-14-17-13-24-6-7-25-17/h4-7,11-13,15H,3,8-10,14H2,1-2H3,(H,28,29)" . "CCCCC=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]" . "CCCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]" . "BEXZJJQVPWJPOA-VOTSOKGWSA-N" . "InChI=1S/C19H23N3O5/c1-3-4-5-6-7-12-27-18(23)16-13(2)20-19(24)21-17(16)14-8-10-15(11-9-14)22(25)26/h6-11,17H,3-5,12H2,1-2H3,(H2,20,21,24)/b7-6+" . "C=CC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)C)C(C1C2(C)C(O)CCC1(C)C)OC(=O)NCCc1ccccn1)O" . "C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)NCCc1ccccn1)O" . "PSLUFJFHTBIXMW-WYEYVKMPSA-N" . "InChI=1S/C30H42N2O8/c1-8-27(5)17-21(35)30(37)28(6)20(34)12-14-26(3,4)23(28)22(24(38-18(2)33)29(30,7)40-27)39-25(36)32-16-13-19-11-9-10-15-31-19/h8-11,15,20,22-24,34,37H,1,12-14,16-17H2,2-7H3,(H,32,36)/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1" . "N#Cc1ccc2c(c1)C(n1oc3c(c1=O)ccc(c3)Cl)C(C(O2)(C)C)O" . "N#Cc1ccc2c(c1)[C@@H](n1oc3c(c1=O)ccc(c3)Cl)[C@@H](C(O2)(C)C)O" . "LSWVRWFSRJQEKB-SJORKVTESA-N" . "InChI=1S/C19H15ClN2O4/c1-19(2)17(23)16(13-7-10(9-21)3-6-14(13)25-19)22-18(24)12-5-4-11(20)8-15(12)26-22/h3-8,16-17,23H,1-2H3/t16-,17+/m1/s1" . "C[n+]1ccc(cc1)C=Cc1cccc2c1cccc2" . "C[n+]1ccc(cc1)/C=C/c1cccc2c1cccc2" . "FJFKCRZPKGCGJE-MDZDMXLPSA-N" . "InChI=1S/C18H16N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-14H,1H3/q+1/b10-9+" . "OC(=O)C(CCCn1ccnc1N)N" . "OC(=O)[C@H](CCCn1ccnc1N)N" . "WGFGZNVQMGCHHV-LURJTMIESA-N" . "InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1" . "CC(=O)Nc1nc2c(s1)cc(cc2)c1cnc(c(c1)NS(=O)(=O)c1ccc(cc1)F)Cl" . "CC(=O)Nc1nc2c(s1)cc(cc2)c1cnc(c(c1)NS(=O)(=O)c1ccc(cc1)F)Cl" . "YGBMCLDVRUGXOV-UHFFFAOYSA-N" . "InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)" . "O=C(NC(C(CC(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1" . "O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1" . "NCDNCNXCDXHOMX-XGKFQTDJSA-N" . "InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1" . "CC(C(=O)N)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C(Cc1ccccc1)N)O" . "C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](Cc1ccccc1)N)O" . "YVUUZAPYLPWFHE-HXFGRODQSA-N" . "InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1" . "OS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2OS(=O)(=O)O)C" . "OS(=O)(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OS(=O)(=O)O)C" . "VPLAJGAMHNQZIY-ZBRFXRBCSA-N" . "InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1" . "Fc1ccc(nc1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCC2" . "Fc1ccc(nc1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCC2" . "ORQHHLPTMSGMQT-UHFFFAOYSA-N" . "InChI=1S/C18H22FN5OS/c19-13-5-6-16(20-11-13)24-9-7-23(8-10-24)12-17(25)22-18-21-14-3-1-2-4-15(14)26-18/h5-6,11H,1-4,7-10,12H2,(H,21,22,25)" . "OCC(OC=O)CO" . "OCC(OC=O)CO" . "LDVVTQMJQSCDMK-UHFFFAOYSA-N" . "InChI=1S/C4H8O4/c5-1-4(2-6)8-3-7/h3-6H,1-2H2" . "Nc1ccc(cc1)SCC1COC(O1)(CCc1ccc(cc1)Cl)Cn1ccnc1" . "Nc1ccc(cc1)SC[C@@H]1CO[C@](O1)(CCc1ccc(cc1)Cl)Cn1ccnc1" . "VYNIUBZKEWJOJP-UNMCSNQZSA-N" . "InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1" . "CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1cccs1" . "CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1" . "XIURVHNZVLADCM-IUODEOHRSA-N" . "InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1" . "Clc1ccc(c(c1)Cl)COc1c(cccc1C(=O)O)OCc1ccc(cc1Cl)Cl" . "Clc1ccc(c(c1)Cl)COc1c(cccc1C(=O)O)OCc1ccc(cc1Cl)Cl" . "RZFRHJXGOFXNIG-UHFFFAOYSA-N" . "InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)" . "Fc1ccc2c(c1)cc([nH]2)C(=O)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "Fc1ccc2c(c1)cc([nH]2)C(=O)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "LHABRXRGDLASIH-UHFFFAOYSA-N" . "InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)" . "O=c1nc[nH]c(c1)N1C(=O)N(C(=O)C21CCN(CC2)Cc1ncccc1C)c1ccc(cc1)c1ccc(cc1)c1[nH]ncc1" . "O=c1nc[nH]c(c1)N1C(=O)N(C(=O)C21CCN(CC2)Cc1ncccc1C)c1ccc(cc1)c1ccc(cc1)c1[nH]ncc1" . "COBUMZLYZWRZDS-UHFFFAOYSA-N" . "InChI=1S/C33H30N8O3/c1-22-3-2-15-34-28(22)20-39-17-13-33(14-18-39)31(43)40(32(44)41(33)29-19-30(42)36-21-35-29)26-10-8-24(9-11-26)23-4-6-25(7-5-23)27-12-16-37-38-27/h2-12,15-16,19,21H,13-14,17-18,20H2,1H3,(H,37,38)(H,35,36,42)" . "OC(=O)CCC=CCC1COC(OC1c1cccnc1)C(Oc1ccc(cc1)Br)(C)C" . "OC(=O)CCC=CCC1COC(OC1c1cccnc1)C(Oc1ccc(cc1)Br)(C)C" . "HCFZUTSDEMKXQB-UHFFFAOYSA-N" . "InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)" . "CCN(Cc1cccc(c1)OCCN(S(=O)(=O)c1cccs1)C)CC=CC#CC(C)(C)C" . "CCN(Cc1cccc(c1)OCCN(S(=O)(=O)c1cccs1)C)C/C=C/C#CC(C)(C)C" . "NEIYCJCCYGTVNA-VQHVLOKHSA-N" . "InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+" . "CC1Cc2c(N1C(=O)Cc1nc(=O)cc([nH]1)N1CCOCC1)cccc2" . "C[C@H]1Cc2c(N1C(=O)Cc1nc(=O)cc([nH]1)N1CCOCC1)cccc2" . "UAXHPOBBKRWJGA-ZDUSSCGKSA-N" . "InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1" . "O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O" . "O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O" . "MEAQCLPMSVEOQF-UHFFFAOYSA-N" . "InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)" . "CCOCc1c(cnn1c1ncc(c(n1)N1CCCCC1)C)C(=O)NCc1cncn1C" . "CCOCc1c(cnn1c1ncc(c(n1)N1CCCCC1)C)C(=O)NCc1cncn1C" . "ATOKVTDUHKZLMB-UHFFFAOYSA-N" . "InChI=1S/C22H30N8O2/c1-4-32-14-19-18(21(31)24-12-17-11-23-15-28(17)3)13-26-30(19)22-25-10-16(2)20(27-22)29-8-6-5-7-9-29/h10-11,13,15H,4-9,12,14H2,1-3H3,(H,24,31)" . "CCOC(=O)C(C(n1cncc1)c1ccc(cc1)Nc1ccc2c(c1)cccc2)(C)C" . "CCOC(=O)C(C(n1cncc1)c1ccc(cc1)Nc1ccc2c(c1)cccc2)(C)C" . "GJYCFJGZPVJOKR-UHFFFAOYSA-N" . "InChI=1S/C26H27N3O2/c1-4-31-25(30)26(2,3)24(29-16-15-27-18-29)20-10-12-22(13-11-20)28-23-14-9-19-7-5-6-8-21(19)17-23/h5-18,24,28H,4H2,1-3H3" . "Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1" . "Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1" . "RTIXKCRFFJGDFG-UHFFFAOYSA-N" . "InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H" . "Clc1ccc(cc1)n1nc(cc1c1cccs1)c1ccccc1c1cccc(c1)OC(C(=O)O)(C)C" . "Clc1ccc(cc1)n1nc(cc1c1cccs1)c1ccccc1c1cccc(c1)OC(C(=O)O)(C)C" . "HOACFVYJBHHSBC-UHFFFAOYSA-N" . "InChI=1S/C29H23ClN2O3S/c1-29(2,28(33)34)35-22-8-5-7-19(17-22)23-9-3-4-10-24(23)25-18-26(27-11-6-16-36-27)32(31-25)21-14-12-20(30)13-15-21/h3-18H,1-2H3,(H,33,34)" . "CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)c1ccccc1cc2OCC(=O)O" . "CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)c1ccccc1cc2OCC(=O)O" . "YLSSVFGTKZXLPA-UHFFFAOYSA-N" . "InChI=1S/C25H22N2O5/c1-2-18-21(24(30)25(26)31)22-19(32-14-20(28)29)12-16-10-6-7-11-17(16)23(22)27(18)13-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)" . "Cc1noc(n1)C(c1onc(n1)C)(Cc1ccc(cc1)NS(=O)(=O)O)CCCc1ccccc1" . "Cc1noc(n1)C(c1onc(n1)C)(Cc1ccc(cc1)NS(=O)(=O)O)CCCc1ccccc1" . "MKLXYDUSWQDVEW-UHFFFAOYSA-N" . "InChI=1S/C23H25N5O5S/c1-16-24-21(32-26-16)23(22-25-17(2)27-33-22,14-6-9-18-7-4-3-5-8-18)15-19-10-12-20(13-11-19)28-34(29,30)31/h3-5,7-8,10-13,28H,6,9,14-15H2,1-2H3,(H,29,30,31)" . "Oc1ccc(c(c1)O)CCc1ccc(cc1O)O" . "Oc1ccc(c(c1)O)CCc1ccc(cc1O)O" . "WKIFTWPZTZUMRN-UHFFFAOYSA-N" . "InChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2" . "CN1CCC(CC1)CNc1ccc2n(n1)c(cn2)c1cccc(c1)OC(F)(F)F" . "CN1CCC(CC1)CNc1ccc2n(n1)c(cn2)c1cccc(c1)OC(F)(F)F" . "MHXGEROHKGDZGO-UHFFFAOYSA-N" . "InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)" . "CC(c1sc(c(n1)c1ccc(c(c1)NS(=O)(=O)c1c(F)cccc1F)F)c1ccnc(n1)Nc1ccc(nc1)N1CCOCC1)C" . "CC(c1sc(c(n1)c1ccc(c(c1)NS(=O)(=O)c1c(F)cccc1F)F)c1ccnc(n1)Nc1ccc(nc1)N1CCOCC1)C" . "KJUCPVIVNLPLEE-UHFFFAOYSA-N" . "InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)" . "CC(NC(=O)c1ccc2c(c1)cccc2)CN1CCC(CC1)n1c(=O)[nH]c2c1ccc(c2)Cl" . "C[C@H](NC(=O)c1ccc2c(c1)cccc2)CN1CCC(CC1)n1c(=O)[nH]c2c1ccc(c2)Cl" . "DRIMIUYGTDAQOX-KRWDZBQOSA-N" . "InChI=1S/C26H27ClN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1" . "O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O" . "O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O" . "LEHOTFFKMJEONL-UHFFFAOYSA-N" . "InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)" . "Clc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)OCc1ccccc1" . "Clc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)OCc1ccccc1" . "CYKYMBAFNWGXGM-UHFFFAOYSA-N" . "InChI=1S/C29H22ClNO5/c30-24-13-9-21(10-14-24)27(32)19-36-29(34)22-11-15-25(16-12-22)31-28(33)23-7-4-8-26(17-23)35-18-20-5-2-1-3-6-20/h1-17H,18-19H2,(H,31,33)" . "NC(=O)C1(CCN(CC1)c1ncc(s1)C(C(F)(F)F)(C(F)(F)F)O)c1cccc(c1)C(=O)O" . "NC(=O)C1(CCN(CC1)c1ncc(s1)C(C(F)(F)F)(C(F)(F)F)O)c1cccc(c1)C(=O)O" . "WNFAQVLTRONMFD-UHFFFAOYSA-N" . "InChI=1S/C19H17F6N3O4S/c20-18(21,22)17(32,19(23,24)25)12-9-27-15(33-12)28-6-4-16(5-7-28,14(26)31)11-3-1-2-10(8-11)13(29)30/h1-3,8-9,32H,4-7H2,(H2,26,31)(H,29,30)" . "O=C(c1ccc(s1)C(=O)OC(C)(C)C)NCCC1CCN(CC1)c1ncnc2c1sc(c2)C(=O)N" . "O=C(c1ccc(s1)C(=O)OC(C)(C)C)NCCC1CCN(CC1)c1ncnc2c1sc(c2)C(=O)N" . "XZEVSGANERUOOE-UHFFFAOYSA-N" . "InChI=1S/C24H29N5O4S2/c1-24(2,3)33-23(32)17-5-4-16(34-17)22(31)26-9-6-14-7-10-29(11-8-14)21-19-15(27-13-28-21)12-18(35-19)20(25)30/h4-5,12-14H,6-11H2,1-3H3,(H2,25,30)(H,26,31)" . "CCC(=O)N(c1cc(F)cc(c1)c1nn[nH]n1)Cc1ccc(cc1)OC(F)(F)F" . "CCC(=O)N(c1cc(F)cc(c1)c1nn[nH]n1)Cc1ccc(cc1)OC(F)(F)F" . "XQIZEBWLPMOVGN-UHFFFAOYSA-N" . "InChI=1S/C18H15F4N5O2/c1-2-16(28)27(10-11-3-5-15(6-4-11)29-18(20,21)22)14-8-12(7-13(19)9-14)17-23-25-26-24-17/h3-9H,2,10H2,1H3,(H,23,24,25,26)" . "CC1CC(C)OP(=O)(O1)c1c(C)nc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C" . "C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C" . "PFKHLXIJSNUZDT-KAYWLYCHSA-N" . "InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3/t26-,27-/m1/s1" . "Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1" . "Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1" . "STLMNZVBCJVQOZ-UHFFFAOYSA-N" . "InChI=1S/C19H23NO2S/c1-15-7-5-6-10-19(15)20-23(21,22)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h5-7,10-14,16,20H,2-4,8-9H2,1H3" . "COCCCNc1nc(Nc2nc(c(s2)C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2)nc(n1)OC" . "COCCCNc1nc(Nc2nc(c(s2)C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2)nc(n1)OC" . "OIRCJRUZRVLDFA-UHFFFAOYSA-N" . "InChI=1S/C26H30N10O3S/c1-38-17-7-12-27-22-31-23(33-25(32-22)39-2)34-26-30-19(18-8-4-3-5-9-18)20(40-26)21(37)35-13-15-36(16-14-35)24-28-10-6-11-29-24/h3-6,8-11H,7,12-17H2,1-2H3,(H2,27,30,31,32,33,34)" . "CC(=O)NC(C(=O)N1CCCC1C(=O)NC(B(O)O)CCCN=C(N)N)Cc1ccccc1" . "CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)CCCN=C(N)N)Cc1ccccc1" . "FXFYPTZERULUBS-SQNIBIBYSA-N" . "InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1" . "[O-][N+](=O)NC(=NCCCC(C(=O)O)N)N" . "[O-][N+](=O)NC(=NCCC[C@@H](C(=O)O)N)N" . "MRAUNPAHJZDYCK-BYPYZUCNSA-N" . "InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1)CCC(=O)O)C(O)C)CCC(=O)O)CCC(=O)O)CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)Cc1ccccc1)Cc1ccccc1)C)CCC(=O)N)CC(C)C)CCC(=O)N)C " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O" . "LUWNQRCIIOOCLS-ITDBXDHNSA-N" . "InChI=1S/C86H124N18O28/c1-43(2)35-57(98-76(121)53(25-30-64(88)106)93-73(118)47(8)91-79(124)59(38-49-19-13-10-14-20-49)101-82(127)60(97-72(117)46(7)87)39-50-21-15-11-16-22-50)80(125)95-54(26-31-65(89)107)77(122)99-58(36-44(3)4)81(126)102-62(41-70(115)116)84(129)96-55(28-33-68(111)112)75(120)94-56(29-34-69(113)114)78(123)104-71(48(9)105)85(130)90-42-66(108)92-52(27-32-67(109)110)74(119)100-61(40-51-23-17-12-18-24-51)83(128)103-63(86(131)132)37-45(5)6/h10-24,43-48,52-63,71,105H,25-42,87H2,1-9H3,(H2,88,106)(H2,89,107)(H,90,130)(H,91,124)(H,92,108)(H,93,118)(H,94,120)(H,95,125)(H,96,129)(H,97,117)(H,98,121)(H,99,122)(H,100,119)(H,101,127)(H,102,126)(H,103,128)(H,104,123)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,131,132)/t46-,47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,71-/m0/s1" . "CCCCCCCCCCOc1ccc(cc1)OCC(=O)Cn1cc(c2c1ccc(c2)C(=O)O)C(=O)OC" . "CCCCCCCCCCOc1ccc(cc1)OCC(=O)Cn1cc(c2c1ccc(c2)C(=O)O)C(=O)OC" . "NXDZVUAKVFVDSL-UHFFFAOYSA-N" . "InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)" . "O=Cc1c(O)c2CC(Cc2c2c1CC(O)OC2=O)(C)C" . "O=Cc1c(O)c2CC(Cc2c2c1CC(O)OC2=O)(C)C" . "BDEDPKFUFGCVCJ-UHFFFAOYSA-N" . "InChI=1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3" . "NCCc1nccs1" . "NCCc1nccs1" . "TWZOYAWHWDRMEZ-UHFFFAOYSA-N" . "InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2" . "O=C(c1ccc(cc1)N1CCOCC1)Nc1n[nH]c2c1sc(c2)C(=O)NC(c1ccccc1)CN1CCCC1" . "O=C(c1ccc(cc1)N1CCOCC1)Nc1n[nH]c2c1sc(c2)C(=O)N[C@@H](c1ccccc1)CN1CCCC1" . "ORWIYCURPDKSBI-XMMPIXPASA-N" . "InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1" . "CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C" . "CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C" . "WIVGIKIKQHUFOD-UHFFFAOYSA-N" . "InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)" . "O=C(NC(c1ccccc1)C)CNC(=O)c1cccc(c1)Cl" . "O=C(N[C@H](c1ccccc1)C)CNC(=O)c1cccc(c1)Cl" . "MWDVCHRYCKXEBY-LBPRGKRZSA-N" . "InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1" . "COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCCC(C1)O" . "COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O" . "QBCRLDPMQHPGIM-QGZVFWFLSA-N" . "InChI=1S/C21H20FNO3/c1-26-18-9-6-15(7-10-18)4-5-16-8-11-19(20(22)13-16)21(25)23-12-2-3-17(24)14-23/h6-11,13,17,24H,2-3,12,14H2,1H3/t17-/m1/s1" . "CCc1c(C(=O)C(=O)N)c2n(c1Cc1ccccc1Cc1ccccc1)cccc2OCC(=O)O" . "CCc1c(C(=O)C(=O)N)c2n(c1Cc1ccccc1Cc1ccccc1)cccc2OCC(=O)O" . "LNIJDTKDAASOIT-UHFFFAOYSA-N" . "InChI=1S/C28H26N2O5/c1-2-21-22(16-20-12-7-6-11-19(20)15-18-9-4-3-5-10-18)30-14-8-13-23(35-17-24(31)32)26(30)25(21)27(33)28(29)34/h3-14H,2,15-17H2,1H3,(H2,29,34)(H,31,32)" . "O=C1NCCc2c1cc([nH]2)c1ccncc1" . "O=C1NCCc2c1cc([nH]2)c1ccncc1" . "DKXHSOUZPMHNIZ-UHFFFAOYSA-N" . "InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)" . "COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N" . "COc1cccc2c1C(=O)c1c(O)c3[C@@H](O)C[C@](Cc3c(c1C2=O)O)(O)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N" . "LZWDZFWNTFSAGM-PGODJVSRSA-N" . "InChI=1S/C31H33N3O14S/c1-48-17-4-2-3-12-22(17)28(43)24-23(25(12)40)26(41)13-7-31(47,8-16(35)21(13)27(24)42)18(36)11-49-10-15(29(44)33-9-20(38)39)34-19(37)6-5-14(32)30(45)46/h2-4,14-16,35,41-42,47H,5-11,32H2,1H3,(H,33,44)(H,34,37)(H,38,39)(H,45,46)/t14-,15-,16-,31-/m0/s1" . "N#Cc1cc(F)cc(c1c1nc2c([nH]1)c1ccc(cc1c1c2ccc(c1)OCCC1CC1)CC(O)(C)C)C#N" . "N#Cc1cc(F)cc(c1c1nc2c([nH]1)c1ccc(cc1c1c2ccc(c1)OCCC1CC1)CC(O)(C)C)C#N" . "PYRKKGOKRMZEIT-UHFFFAOYSA-N" . "InChI=1S/C32H27FN4O2/c1-32(2,38)15-19-5-7-24-26(11-19)27-14-23(39-10-9-18-3-4-18)6-8-25(27)30-29(24)36-31(37-30)28-20(16-34)12-22(33)13-21(28)17-35/h5-8,11-14,18,38H,3-4,9-10,15H2,1-2H3,(H,36,37)" . "COc1cc(C)c2c(c1)c(CN1CCOCC1)c1c(n2)n[nH]c1C" . "COc1cc(C)c2c(c1)c(CN1CCOCC1)c1c(n2)n[nH]c1C" . "UBGXXNXAPLUDQK-UHFFFAOYSA-N" . "InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)" . "COc1cc(C)c2c(c1)c(CN1CCOCCC1)c1c(n2)n[nH]c1C" . "COc1cc(C)c2c(c1)c(CN1CCOCCC1)c1c(n2)n[nH]c1C" . "IPHACPSYWWYGQN-UHFFFAOYSA-N" . "InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)" . "NCc1ccc(s1)c1ccccc1" . "NCc1ccc(s1)c1ccccc1" . "PKRPFYKLLXGKDE-UHFFFAOYSA-N" . "InChI=1S/C11H11NS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2" . "NCc1ccc(s1)c1cccnc1" . "NCc1ccc(s1)c1cccnc1" . "JHLIGYPHPBLDDL-UHFFFAOYSA-N" . "InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2" . "NCc1ccc(o1)c1cccnc1" . "NCc1ccc(o1)c1cccnc1" . "LENAVORGWBTPJR-UHFFFAOYSA-N" . "InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2" . "OC(=O)CCC(CCCc1cccnc1)CCCCNS(=O)(=O)c1ccc(cc1)F" . "OC(=O)CCC(CCCc1cccnc1)CCCCNS(=O)(=O)c1ccc(cc1)F" . "TYYCNSUODPEVQP-UHFFFAOYSA-N" . "InChI=1S/C22H29FN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)" . "COc1cccc(c1O)CNc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)cccc2" . "COc1cccc(c1O)CNc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)cccc2" . "OWHBVKBNNRYMIN-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)" . "COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1cccc2c1cccc2" . "COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1cccc2c1cccc2" . "PYNKKMZSVFDYAC-UHFFFAOYSA-N" . "InChI=1S/C24H18N2O4S/c1-28-19-13-11-18(12-14-19)23(27)29-15-4-5-16-31-24-26-25-22(30-24)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,15-16H2,1H3" . "Fc1cccc(c1)N1NC(=O)C(=C2C(=O)Nc3c2cccc3)C1=O" . "Fc1cccc(c1)N1NC(=O)/C(=C/2/C(=O)Nc3c2cccc3)/C1=O" . "CDNIIUJDSUXPEZ-YPKPFQOOSA-N" . "InChI=1S/C17H10FN3O3/c18-9-4-3-5-10(8-9)21-17(24)14(16(23)20-21)13-11-6-1-2-7-12(11)19-15(13)22/h1-8H,(H,19,22)(H,20,23)/b14-13-" . "COc1ccc(cc1)c1nc([nH]c1CCNS(=O)(=O)N(C1CCN(C1)C(c1ccc(cc1)F)C)CC)c1cccs1" . "COc1ccc(cc1)c1nc([nH]c1CCNS(=O)(=O)N([C@@H]1CCN(C1)C(c1ccc(cc1)F)C)CC)c1cccs1" . "YCOQGGMZWKBBGI-UIDYPRJRSA-N" . "InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1" . "Cc1ccc2c(c1)[nH]c(n2)SCc1ccccn1" . "Cc1ccc2c(c1)[nH]c(n2)SCc1ccccn1" . "RRLQDVNNRUSNKR-UHFFFAOYSA-N" . "InChI=1S/C14H13N3S/c1-10-5-6-12-13(8-10)17-14(16-12)18-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,17)" . "C#CCOc1cccc(c1)c1cc(=O)c2c(o1)cccc2O" . "C#CCOc1cccc(c1)c1cc(=O)c2c(o1)cccc2O" . "OCMGAXUTMOJVBQ-UHFFFAOYSA-N" . "InChI=1S/C18H12O4/c1-2-9-21-13-6-3-5-12(10-13)17-11-15(20)18-14(19)7-4-8-16(18)22-17/h1,3-8,10-11,19H,9H2" . "CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(c(c1)I)O" . "CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(c(c1)I)O" . "UQTXCTDQSVOMGL-UHFFFAOYSA-N" . "InChI=1S/C19H14I2O4/c1-2-5-15-16(18(23)11-6-3-4-7-14(11)25-15)17(22)10-8-12(20)19(24)13(21)9-10/h3-4,6-9,24H,2,5H2,1H3" . "COC(=O)C1=COC(C2C1CC1N(C2)CCc2c1[nH]c1c2cccc1)C" . "COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C" . "GRTOGORTSDXSFK-XJTZBENFSA-N" . "InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1" . "O=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCCC2CCCCC2)S1" . "O=C1NC(=O)/C(=C/c2ccc(c(c2)Cl)OCCC2CCCCC2)/S1" . "DBBGLVJTGXKCHY-WJDWOHSUSA-N" . "InChI=1S/C18H20ClNO3S/c19-14-10-13(11-16-17(21)20-18(22)24-16)6-7-15(14)23-9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2,(H,20,21,22)/b16-11-" . "OC(=O)c1ccnc(c1)C(=O)O" . "OC(=O)c1ccnc(c1)C(=O)O" . "MJIVRKPEXXHNJT-UHFFFAOYSA-N" . "InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)" . "NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCCCC1" . "NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCCCC1" . "YKPDLYPZCGMXBO-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O2S/c20-16-15-14(13-9-6-10-24-13)11-7-4-2-1-3-5-8-12(11)22-19(15)25-17(16)18(21)23/h6,9-10H,1-5,7-8,20H2,(H2,21,23)" . "CNC(=O)c1ccccc1Nc1cc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCOCC1" . "CNC(=O)c1ccccc1Nc1cc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCOCC1" . "IGUBBWJDMLCRIK-UHFFFAOYSA-N" . "InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32)" . "Oc1ccc(cc1)C=Cc1cc(O)cc(c1)O" . "Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O" . "LUKBXSAWLPMMSZ-OWOJBTEDSA-N" . "InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+" . "COC(=O)N1CCN(CC1)Cc1cccc(c1F)NC(=O)Nc1ccc(nc1)C" . "COC(=O)N1CCN(CC1)Cc1cccc(c1F)NC(=O)Nc1ccc(nc1)C" . "RFUBTTPMWSKEIW-UHFFFAOYSA-N" . "InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)" . "Fc1ccc2c(c1)[nH]cc2CCNCc1cccc(c1)OCC(C(F)F)(F)F" . "Fc1ccc2c(c1)[nH]cc2CCNCc1cccc(c1)OCC(C(F)F)(F)F" . "YBAWYTYNMZWMMJ-UHFFFAOYSA-N" . "InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2" . "COCC(C(=O)NC(C(=O)C1(C)OC1)Cc1ccccc1)NC(=O)C(NC(=O)c1cnc(s1)C)COC" . "COC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc(s1)C)COC" . "SWZXEVABPLUDIO-WSZYKNRRSA-N" . "InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1" . "O=C(C(N)C)Nc1cccc(n1)N" . "O=C([C@@H](N)C)Nc1cccc(n1)N" . "LRIKRUHIPRIMEM-YFKPBYRVSA-N" . "InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/t5-/m0/s1" . "O=C(Nc1cccc(c1)F)NCc1ccc(c(c1)NC(=O)c1cnc2n1cccc2)C" . "O=C(Nc1cccc(c1)F)NCc1ccc(c(c1)NC(=O)c1cnc2n1cccc2)C" . "ZPVUIOVIUFJGHO-UHFFFAOYSA-N" . "InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)" . "O=c1[nH]c2c(nccc2cc1C)NC1CCNCC1OCC1CCS(=O)(=O)CC1" . "O=c1[nH]c2c(nccc2cc1C)N[C@@H]1CCNC[C@H]1OCC1CCS(=O)(=O)CC1" . "IMRGYBMGTASFSC-IAGOWNOFSA-N" . "InChI=1S/C20H28N4O4S/c1-13-10-15-2-7-22-19(18(15)24-20(13)25)23-16-3-6-21-11-17(16)28-12-14-4-8-29(26,27)9-5-14/h2,7,10,14,16-17,21H,3-6,8-9,11-12H2,1H3,(H,22,23)(H,24,25)/t16-,17-/m1/s1" . "COCCCN1Cc2c(C1=O)c(ccc2)C(=O)N" . "COCCCN1Cc2c(C1=O)c(ccc2)C(=O)N" . "VARCSQSOWLMGTH-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O3/c1-18-7-3-6-15-8-9-4-2-5-10(12(14)16)11(9)13(15)17/h2,4-5H,3,6-8H2,1H3,(H2,14,16)" . "Brc1ccc(s1)C=C1C(=O)NC(=S)N(C1=O)C" . "Brc1ccc(s1)/C=C/1/C(=O)NC(=S)N(C1=O)C" . "DHXHBTASCMMTSD-XQRVVYSFSA-N" . "InChI=1S/C10H7BrN2O2S2/c1-13-9(15)6(8(14)12-10(13)16)4-5-2-3-7(11)17-5/h2-4H,1H3,(H,12,14,16)/b6-4-" . "N#CC(=Cc1c(Oc2ccc(cc2)F)nc2n(c1=O)cccc2C)c1nc2c(s1)cccc2" . "N#C/C(=C/c1c(Oc2ccc(cc2)F)nc2n(c1=O)cccc2C)/c1nc2c(s1)cccc2" . "IPZHFKHGSYRBNT-DTQAZKPQSA-N" . "InChI=1S/C25H15FN4O2S/c1-15-5-4-12-30-22(15)29-23(32-18-10-8-17(26)9-11-18)19(25(30)31)13-16(14-27)24-28-20-6-2-3-7-21(20)33-24/h2-13H,1H3/b16-13+" . "N#CC(=Cc1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2C)c1nc2c(s1)cccc2" . "N#C/C(=C/c1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2C)/c1nc2c(s1)cccc2" . "VFSVKVQMZDJFQX-NBVRZTHBSA-N" . "InChI=1S/C26H18N4O2S/c1-16-7-5-9-19(13-16)32-24-20(26(31)30-12-6-8-17(2)23(30)29-24)14-18(15-27)25-28-21-10-3-4-11-22(21)33-25/h3-14H,1-2H3/b18-14+" . "COS(=NS(=O)(=O)c1ccc(cc1)Cl)c1ccc(cc1)[N+](=O)[O-]" . "CO/S(=N/S(=O)(=O)c1ccc(cc1)Cl)/c1ccc(cc1)[N+](=O)[O-]" . "GIFNUYPIOIDEGE-UHFFFAOYSA-N" . "InChI=1S/C13H11ClN2O5S2/c1-21-22(12-6-4-11(5-7-12)16(17)18)15-23(19,20)13-8-2-10(14)3-9-13/h2-9H,1H3" . "Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F" . "Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F" . "JGWRKYUXBBNENE-UHFFFAOYSA-N" . "InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)" . "ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl" . "ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl" . "OEJNXTAZZBRGDN-UHFFFAOYSA-N" . "InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2" . "OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C" . "OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C" . "XRVDGNKRPOAQTN-FQEVSTJZSA-N" . "InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1" . "COc1cc(ccc1N1CCC(CC1)N1CCN(CC1)C)Nc1nc(NC2CCOCC2)c(nc1C(=O)N)CC" . "COc1cc(ccc1N1CCC(CC1)N1CCN(CC1)C)Nc1nc(NC2CCOCC2)c(nc1C(=O)N)CC" . "GYQYAJJFPNQOOW-UHFFFAOYSA-N" . "InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)" . "COc1cc2c(cc1OC)CCN1C2CC(=O)C(C1)CC(C)C" . "CC(C[C@@H]1CN2CCc3c([C@H]2CC1=O)cc(c(c3)OC([2H])([2H])[2H])OC([2H])([2H])[2H])C" . "MKJIEFSOBYUXJB-VFJJUKLQSA-N" . "InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1/i3D3,4D3" . "N#CCCC#Cc1ccc(cc1)c1c(CO)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1" . "N#CCCC#Cc1ccc(cc1)c1c(CO)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1" . "VQXIVPLXEIZJTH-UHFFFAOYSA-N" . "InChI=1S/C26H23Cl2N5O3/c27-20-9-10-23(22(28)16-20)33-25(19-7-5-18(6-8-19)4-2-1-3-11-29)21(17-34)24(30-33)26(35)31-32-12-14-36-15-13-32/h5-10,16,34H,1,3,12-15,17H2,(H,31,35)" . "CCc1c(nn(c1c1ccc(s1)C#Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "CCc1c(nn(c1c1ccc(s1)C#Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "VQOCBFYUDSBDCZ-UHFFFAOYSA-N" . "InChI=1S/C30H25Cl2F3N4OS/c1-2-23-27(29(40)37-38-16-4-3-5-17-38)36-39(25-14-11-21(31)18-24(25)32)28(23)26-15-13-22(41-26)12-8-19-6-9-20(10-7-19)30(33,34)35/h6-7,9-11,13-15,18H,2-5,16-17H2,1H3,(H,37,40)" . "CCN(C(=O)Cn1c2nc(ncc2n(c1=O)C)c1ccccc1)Cc1ccccc1" . "CCN(C(=O)Cn1c2nc(ncc2n(c1=O)C)c1ccccc1)Cc1ccccc1" . "NBMBIEOUVBHEBM-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3" . "CCC(N(C(=O)c1cc2ccccc2c(n1)c1ccccc1Cl)C)C" . "CCC(N(C(=O)c1cc2ccccc2c(n1)c1ccccc1Cl)C)C" . "RAVIZVQZGXBOQO-UHFFFAOYSA-N" . "InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3" . "CN1CCN(CC1)C(=O)C1=C(c2ccccc2)c2c(C1C)ccc(c2)[N+](=O)[O-]" . "CN1CCN(CC1)C(=O)C1=C(c2ccccc2)c2c(C1C)ccc(c2)[N+](=O)[O-]" . "BBPOBHFPZPRPGB-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O3/c1-15-18-9-8-17(25(27)28)14-19(18)21(16-6-4-3-5-7-16)20(15)22(26)24-12-10-23(2)11-13-24/h3-9,14-15H,10-13H2,1-2H3" . "O=C(C(C)C)OC1CC2(C)OC(CC2O)(C(CC2C1C(=C)C(=O)O2)C)O" . "O=C(C(C)C)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)([C@H](C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O" . "HREHFPZHVCNOMQ-XNNFIIJVSA-N" . "InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14-,15-,18+,19+/m0/s1" . "O=C(C(C)C)OC1CC2(C)CCC(O2)(C(CC2C1C(=C)C(=O)O2)C)O" . "O=C(C(C)C)O[C@@H]1C[C@]2(C)CC[C@@](O2)([C@H](C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O" . "VKWNXJLVNFOOOS-QNIDSSLUSA-N" . "InChI=1S/C19H28O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h10-11,13-15,22H,4,6-9H2,1-3,5H3/t11-,13+,14+,15-,18-,19+/m0/s1" . "Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)N=C(N)N(S(=O)(=O)C1)C)F" . "Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)N(S(=O)(=O)C1)C)F" . "YHYKUSGACIYRML-KRWDZBQOSA-N" . "InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1" . "CC#Cc1cncc(c1)c1cc(c(s1)C1(C)CC(=O)N(C(=N1)N)C)Cl" . "CC#Cc1cncc(c1)c1cc(c(s1)[C@]1(C)CC(=O)N(C(=N1)N)C)Cl" . "IJYPXSRDUPWKPB-SFHVURJKSA-N" . "InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1" . "OCC1OC(CC1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F" . "VSQQQLOSPVPRAZ-RRKCRQDMSA-N" . "InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1" . "O=c1[nH]c(CN2CCCC2=N)c(c(=O)[nH]1)Cl" . "O=c1[nH]c(CN2CCCC2=N)c(c(=O)[nH]1)Cl" . "QQHMKNYGKVVGCZ-UHFFFAOYSA-N" . "InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)" . "BrCCNP(=O)(NCCBr)OCc1cnc(n1C)[N+](=O)[O-]" . "BrCCNP(=O)(NCCBr)OCc1cnc(n1C)[N+](=O)[O-]" . "UGJWRPJDTDGERK-UHFFFAOYSA-N" . "InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)" . "COc1cc2c(cc1OC)CCN1C2CC(OC(=O)C(C(C)C)N)C(C1)CC(C)C" . "COc1cc2c(cc1OC)CCN1[C@@H]2C[C@@H](OC(=O)[C@H](C(C)C)N)[C@@H](C1)CC(C)C" . "GEJDGVNQKABXKG-CFKGEZKQSA-N" . "InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1" . "CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cc(Cl)c(c(c1)Cl)O" . "CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cc(Cl)c(c(c1)Cl)O" . "TYYLMKBOWXDDCT-UHFFFAOYSA-N" . "InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3" . "CCOC(=O)c1ccc(o1)CN(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C" . "CCOC(=O)c1ccc(o1)CN(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C" . "HDZWHJYZJWLTAG-UHFFFAOYSA-N" . "InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C" . "PSOXOVKYGWBTPB-UHFFFAOYSA-N" . "InChI=1S/C29H28F3NO5S2/c1-19-14-20(2)28(21(3)15-19)40(36,37)33(18-25-12-13-27(38-25)29(30,31)32)17-22-8-10-23(11-9-22)24-6-5-7-26(16-24)39(4,34)35/h5-16H,17-18H2,1-4H3" . "Cc1cccc(c1)CNCC(C(NC(=O)C1=Cc2ccccc2Oc2c1cccc2)Cc1ccccc1)O" . "Cc1cccc(c1)CNC[C@H]([C@@H](NC(=O)C1=Cc2ccccc2Oc2c1cccc2)Cc1ccccc1)O" . "BNWZCXDHHPBQOX-XZWHSSHBSA-N" . "InChI=1S/C33H32N2O3/c1-23-10-9-13-25(18-23)21-34-22-30(36)29(19-24-11-3-2-4-12-24)35-33(37)28-20-26-14-5-7-16-31(26)38-32-17-8-6-15-27(28)32/h2-18,20,29-30,34,36H,19,21-22H2,1H3,(H,35,37)/t29-,30+/m0/s1" . "CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F" . "CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F" . "FJPQEOQGIZSLES-UHFFFAOYSA-N" . "InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)" . "ClCC(=N)NCCCC(C(=O)N)NC(=O)c1ccccc1" . "ClCC(=N)NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1" . "BPWATVWOHQZVRP-NSHDSACASA-N" . "InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1" . "ClCC(NCCCC1NC(=O)N(C1O)Cc1cccc(c1)c1ccccc1Cl)N" . "ClCC(NCCCC1NC(=O)N(C1O)Cc1cccc(c1)c1ccccc1Cl)N" . "TXEBWPPWSVMYOA-UHFFFAOYSA-N" . "InChI=1S/C21H26Cl2N4O2/c22-12-19(24)25-10-4-9-18-20(28)27(21(29)26-18)13-14-5-3-6-15(11-14)16-7-1-2-8-17(16)23/h1-3,5-8,11,18-20,25,28H,4,9-10,12-13,24H2,(H,26,29)" . "COC1=C(OC)C=CC(=c2c(N)c([nH]c(c2C)C(=O)O)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)C1=O" . "COC1=C(OC)C=C/C(=c/2/c(N)c([nH]c(c2C)C(=O)O)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)/C1=O" . "DLWOTOMWYCRPLK-UVTDQMKNSA-N" . "InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,29H,26-27H2,1-4H3,(H,33,34)/b14-10-" . "NC1=CC(=O)c2c(C1=O)nc(cc2)c1ccccn1" . "NC1=CC(=O)c2c(C1=O)nc(cc2)c1ccccn1" . "UMMNKCUSQIKSGP-UHFFFAOYSA-N" . "InChI=1S/C14H9N3O2/c15-9-7-12(18)8-4-5-11(17-13(8)14(9)19)10-3-1-2-6-16-10/h1-7H,15H2" . "O=c1[nH]c2ccccc2c(=O)n1c1c2ccccc2cc2c1cccc2" . "O=c1[nH]c2ccccc2c(=O)n1c1c2ccccc2cc2c1cccc2" . "SISSLRJYACXIQF-UHFFFAOYSA-N" . "InChI=1S/C22H14N2O2/c25-21-18-11-5-6-12-19(18)23-22(26)24(21)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-13H,(H,23,26)" . "NC(=NCCCC(C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc1ccccc1)N" . "NC(=NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc1ccccc1)N" . "QKFCYPKTTJCUSZ-YADHBBJMSA-N" . "InChI=1S/C26H36N8O4S/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31)/t21-,22+/m1/s1" . "COCCO[C@@H]1[C@H](OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cnc3c2ncnc3N)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(nc2=O)N)O)n2cnc3c2nc(N)[nH]c3=O)O)n2cnc3c2ncnc3N)O)n2cc(C)c(nc2=O)N)O)n2cc(C)c(nc2=O)N)O)n2cc(C)c(=O)[nH]c2=O)O)n2cnc3c2nc(N)[nH]c3=O)O)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(nc2=O)N)O)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=S)(O[C@@H]1[C@@H](COP(=S)(O[C@@H]2[C@@H](COP(=S)(O[C@@H]3[C@@H](COP(=S)(O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4OCCOC)n4cnc5c4ncnc5N)O)O[C@H]([C@@H]3OCCOC)n3cnc4c3nc(N)[nH]c4=O)O)O[C@H]([C@@H]2OCCOC)n2cc(C)c(nc2=O)N)O)O[C@H]([C@@H]1OCCOC)n1cc(C)c(=O)[nH]c1=O)O" . "COCCO[C@@H]1[C@H](OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cnc3c2ncnc3N)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(nc2=O)N)O)n2cnc3c2nc(N)[nH]c3=O)O)n2cnc3c2ncnc3N)O)n2cc(C)c(nc2=O)N)O)n2cc(C)c(nc2=O)N)O)n2cc(C)c(=O)[nH]c2=O)O)n2cnc3c2nc(N)[nH]c3=O)O)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(nc2=O)N)O)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=S)(O[C@@H]1[C@@H](COP(=S)(O[C@@H]2[C@@H](COP(=S)(O[C@@H]3[C@@H](COP(=S)(O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4OCCOC)n4cnc5c4ncnc5N)O)O[C@H]([C@@H]3OCCOC)n3cnc4c3nc(N)[nH]c4=O)O)O[C@H]([C@@H]2OCCOC)n2cc(C)c(nc2=O)N)O)O[C@H]([C@@H]1OCCOC)n1cc(C)c(=O)[nH]c1=O)O" . "IJUQCWMZCMFFJP-GQSLRNSLSA-N" . "ONC(=O)C(N1CCC(C1=O)(C)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)C" . "ONC(=O)[C@H](N1CC[C@@](C1=O)(C)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)C" . "YDMIPBHQKFOFQW-NSYGIPOTSA-N" . "InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1" . "ONC(=O)C1CC2(CC2)CN(C1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)OC" . "ONC(=O)[C@H]1CC2(CC2)CN([C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)OC" . "CKZHFOKQZRZCPF-ROUUACIJSA-N" . "InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1" . "CCOc1ncc(c2c1C(C(=C(N2)C)C(=O)N)c1ccc(cc1OC)C#N)C" . "CCOc1ncc(c2c1[C@@H](C(=C(N2)C)C(=O)N)c1ccc(cc1OC)C#N)C" . "BTBHLEZXCOBLCY-QGZVFWFLSA-N" . "InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1" . "OC(C(=O)NCCC(C)C)C(Cc1ccccc1)N" . "O[C@H](C(=O)NCCC(C)C)[C@@H](Cc1ccccc1)N" . "WABAJXKDQWZIOJ-KGLIPLIRSA-N" . "InChI=1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1" . "SCC(C(=O)O)Cc1ccccc1" . "SC[C@H](C(=O)O)Cc1ccccc1" . "ZUEBVBPVXLQMQR-SECBINFHSA-N" . "InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1" . "SCC(C(=O)O)CSCCN=C(N)N" . "SCC(C(=O)O)CSCCN=C(N)N" . "AKPKWZRKZOAAAZ-UHFFFAOYSA-N" . "InChI=1S/C7H15N3O2S2/c8-7(9)10-1-2-14-4-5(3-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)" . "N#Cc1ccc(n1C)c1cc(F)c2c(c1)C(C)(C)C(=O)N2" . "N#Cc1ccc(n1C)c1cc(F)c2c(c1)C(C)(C)C(=O)N2" . "KIOOLNRTWPFVHX-UHFFFAOYSA-N" . "InChI=1S/C16H14FN3O/c1-16(2)11-6-9(7-12(17)14(11)19-15(16)21)13-5-4-10(8-18)20(13)3/h4-7H,1-3H3,(H,19,21)" . "ONC(=O)CC1(CCNCC1)NC(=O)c1ccc(cc1)OCc1cc(C)nc2c1cccc2" . "ONC(=O)CC1(CCNCC1)NC(=O)c1ccc(cc1)OCc1cc(C)nc2c1cccc2" . "BODLESUVCQEUII-UHFFFAOYSA-N" . "InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)" . "COC(=O)C1CCCN1C(=O)C(N(C(=O)C(NC(=O)C(C(O)C)NC(=O)CC(C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)OC(=O)C(C(C)C)OC(=O)C(N(C)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)O)C)C)Cc1ccccc1" . "COC(=O)[C@@H]1CCCN1C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)C[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@@H](N(C)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)O)C)C)Cc1ccccc1" . "JZYWSTGTBRHGTL-BIXXXADNSA-N" . "InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1" . "Oc1ccccc1C=Cc1ccc2c(n1)cccc2" . "Oc1ccccc1/C=C/c1ccc2c(n1)cccc2" . "NXNDEWNGCMCWMA-BENRWUELSA-N" . "InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10-" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccccc1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)Cc1ccccc1" . "BVRWWHKWGPOKPN-NXOPMQQOSA-N" . "InChI=1S/C59H82N16O11/c1-32(2)49(75-54(82)43(22-13-14-24-60)71-56(84)45(26-36-16-7-6-8-17-36)72-53(81)44(70-50(78)33(3)61)23-15-25-64-59(62)63)58(86)74-47(28-38-30-66-42-21-12-10-19-40(38)42)57(85)73-46(27-37-29-65-41-20-11-9-18-39(37)41)55(83)69-35(5)52(80)68-34(4)51(79)67-31-48(76)77/h6-12,16-21,29-30,32-35,43-47,49,65-66H,13-15,22-28,31,60-61H2,1-5H3,(H,67,79)(H,68,80)(H,69,83)(H,70,78)(H,71,84)(H,72,81)(H,73,85)(H,74,86)(H,75,82)(H,76,77)(H4,62,63,64)/t33-,34-,35-,43-,44-,45-,46-,47-,49-/m0/s1" . "O=C(Oc1c(c2ccc(cc2)O)c(O)c(c(c1OC(=O)Cc1ccccc1)c1ccc(cc1)O)O)Cc1ccccc1" . "O=C(Oc1c(c2ccc(cc2)O)c(O)c(c(c1OC(=O)Cc1ccccc1)c1ccc(cc1)O)O)Cc1ccccc1" . "NOJUKCRPSUMHQQ-UHFFFAOYSA-N" . "InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)C(O)C)CCCN=C(N)N)CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)N)CCCN=C(N)N)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)CCCN=C(N)N)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)CCCN=C(N)N)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N" . "XIHRZTWKTVFWSV-HQSWAJDZSA-N" . "InChI=1S/C58H113N29O13/c1-30(78-45(92)35(16-8-24-73-54(63)64)85-52(99)40-21-13-29-87(40)53(100)41(61)31(2)88)44(91)79-36(17-9-25-74-55(65)66)48(95)82-38(19-11-27-76-57(69)70)50(97)83-37(18-10-26-75-56(67)68)49(96)81-33(14-4-6-22-59)46(93)80-34(15-5-7-23-60)47(94)84-39(20-12-28-77-58(71)72)51(98)86-42(32(3)89)43(62)90/h30-42,88-89H,4-29,59-61H2,1-3H3,(H2,62,90)(H,78,92)(H,79,91)(H,80,93)(H,81,96)(H,82,95)(H,83,97)(H,84,94)(H,85,99)(H,86,98)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1" . "NCCCCC(C(=O)O)S" . "NCCCCC(C(=O)O)S" . "JNQDJHCXDRGZJD-UHFFFAOYSA-N" . "InChI=1S/C6H13NO2S/c7-4-2-1-3-5(10)6(8)9/h5,10H,1-4,7H2,(H,8,9)" . "NCCCCC(C(=O)O)NC(=O)c1ccc(c(c1)NC(=O)C(CCc1ccccc1)N)N" . "NCCCC[C@@H](C(=O)O)NC(=O)c1ccc(c(c1)NC(=O)[C@H](CCc1ccccc1)N)N" . "XPUCDWKMNQBXIH-OALUTQOASA-N" . "InChI=1S/C23H31N5O4/c24-13-5-4-8-19(23(31)32)27-21(29)16-10-12-17(25)20(14-16)28-22(30)18(26)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,18-19H,4-5,8-9,11,13,24-26H2,(H,27,29)(H,28,30)(H,31,32)/t18-,19-/m0/s1" . "COc1ccccc1SCC(C(=O)NC(C(=O)N)Cc1c[nH]c2c1cccc2)CP(=O)(C(Cc1ccccc1)NC(=O)OCc1ccccc1)O" . "COc1ccccc1SC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CP(=O)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)O" . "YDDMVPLLJTZTQL-LAABSITASA-N" . "InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t29-,32-,35+/m0/s1" . "FC1CCC2(C(=CCC3C2CCC2(C3CCC(C2F)C)C)C1)C" . "F[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC[C@H]([C@@H]2F)C)C)C1)C" . "UEILQXVVJHZGQK-KYFJQHFKSA-N" . "InChI=1S/C21H32F2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h5,13,15-19H,4,6-12H2,1-3H3/t13-,15+,16?,17?,18?,19+,20+,21+/m1/s1" . "O=C(c1sc2c(c1N)cc(c(=O)[nH]2)C(=O)O)c1ccccc1" . "O=C(c1sc2c(c1N)cc(c(=O)[nH]2)C(=O)O)c1ccccc1" . "OJHMDRZMENMQFP-UHFFFAOYSA-N" . "InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)" . "O=C1CC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl" . "O=C1CC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl" . "IDLAOWFFKWRNHB-UHFFFAOYSA-N" . "InChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1H2" . "O=C(NC(C(=O)O)CCC(=O)O)NC(C(=O)O)Cc1ccc(cc1)O" . "O=C(N[C@H](C(=O)O)CCC(=O)O)N[C@H](C(=O)O)Cc1ccc(cc1)O" . "QXWVJRPYHOYHHT-QWRGUYRKSA-N" . "InChI=1S/C15H18N2O8/c18-9-3-1-8(2-4-9)7-11(14(23)24)17-15(25)16-10(13(21)22)5-6-12(19)20/h1-4,10-11,18H,5-7H2,(H,19,20)(H,21,22)(H,23,24)(H2,16,17,25)/t10-,11-/m0/s1" . "NCCCCC(C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N" . "UFNWIBYSOUCSGW-FVMQRRFMSA-N" . "InChI=1S/C51H90N14O8/c1-28(2)23-38(59-33(11)66)46(69)62-40(25-30(5)6)48(71)64-41(26-31(7)8)49(72)63-39(24-29(3)4)47(70)60-37(16-14-22-57-51(55)56)45(68)65-42(32(9)10)50(73)61-36(15-12-13-21-52)44(67)58-27-34-17-19-35(20-18-34)43(53)54/h17-20,28-32,36-42H,12-16,21-27,52H2,1-11H3,(H3,53,54)(H,58,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,72)(H,64,71)(H,65,68)(H4,55,56,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1" . "CCCn1cnc(c1)CC(C(=O)O)CCCN" . "CCCn1cnc(c1)C[C@@H](C(=O)O)CCCN" . "OTDGPKRCQXSTPV-JTQLQIEISA-N" . "InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1" . "SCC(C(=O)O)CCCN=C(N)N" . "SCC(C(=O)O)CCCN=C(N)N" . "JOVIPJZDTSYNNW-UHFFFAOYSA-N" . "InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)" . "COc1ccc2c(c1)cc(cc2)S(=O)(=O)N(C1CCN(C1=O)Cc1ccc(s1)C(=N)N)Cc1ccccc1" . "COc1ccc2c(c1)cc(cc2)S(=O)(=O)N([C@H]1CCN(C1=O)Cc1ccc(s1)C(=N)N)Cc1ccccc1" . "KKFJNRXJRRYNRJ-VWLOTQADSA-N" . "InChI=1S/C28H28N4O4S2/c1-36-22-9-7-20-8-11-24(16-21(20)15-22)38(34,35)32(17-19-5-3-2-4-6-19)25-13-14-31(28(25)33)18-23-10-12-26(37-23)27(29)30/h2-12,15-16,25H,13-14,17-18H2,1H3,(H3,29,30)/t25-/m0/s1" . "CCCCCCN(CC(=O)C(NC(=O)C(n1cc(nc(c1=O)NCc1nonc1C)C(C)(C)C)CC)CC(=O)O)C" . "CCCCCCN(CC(=O)C(NC(=O)C(n1cc(nc(c1=O)NCc1nonc1C)C(C)(C)C)CC)CC(=O)O)C" . "XIMITGPWYYFUQF-UHFFFAOYSA-N" . "InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)" . "NC(=NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)(C)C)CC(C)C)NC(=O)C)N" . "NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)(C)C)CC(C)C)NC(=O)C)N" . "VIJSPAIQWVPKQZ-BLECARSGSA-N" . "InChI=1S/C36H68N12O8/c1-19(2)16-25(30(52)43-21(5)28(50)45-24(33(55)56)13-11-15-42-35(39)40)47-32(54)27(18-36(7,8)9)48-31(53)26(17-20(3)4)46-29(51)23(44-22(6)49)12-10-14-41-34(37)38/h19-21,23-27H,10-18H2,1-9H3,(H,43,52)(H,44,49)(H,45,50)(H,46,51)(H,47,54)(H,48,53)(H,55,56)(H4,37,38,41)(H4,39,40,42)/t21-,23-,24-,25-,26-,27-/m0/s1" . "CCC(C(N(C(=O)C)C)C(=O)NC1CCc2c3N(C1=O)C(Cc3ccc2)C(=O)NC(C(=O)c1nnc(o1)c1ccccc1)CC(=O)O)C" . "CC[C@@H]([C@H](N(C(=O)C)C)C(=O)N[C@H]1CCc2c3N(C1=O)[C@@H](Cc3ccc2)C(=O)N[C@H](C(=O)c1nnc(o1)c1ccccc1)CC(=O)O)C" . "UCXMBOHIKJZNMQ-GIYJSHOWSA-N" . "InChI=1S/C34H38N6O8/c1-5-18(2)27(39(4)19(3)41)31(46)35-23-15-14-20-12-9-13-22-16-25(40(28(20)22)34(23)47)30(45)36-24(17-26(42)43)29(44)33-38-37-32(48-33)21-10-7-6-8-11-21/h6-13,18,23-25,27H,5,14-17H2,1-4H3,(H,35,46)(H,36,45)(H,42,43)/t18-,23-,24-,25-,27-/m0/s1" . "O=c1snc(o1)c1cccc(c1)[N+](=O)[O-]" . "O=c1snc(o1)c1cccc(c1)[N+](=O)[O-]" . "QBAZATRGWRVUFN-UHFFFAOYSA-N" . "InChI=1S/C8H4N2O4S/c11-8-14-7(9-15-8)5-2-1-3-6(4-5)10(12)13/h1-4H" . "NCCCCC(C(=O)NC(C(=O)O)CCCN=C(N)N)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)CC(C)C)CCCN=C(N)N " . "CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C" . "UQCOICUQZUWRMW-YYGRSCHNSA-N" . "InChI=1S/C41H80N14O8/c1-22(2)19-26(43)33(56)53-30(20-23(3)4)37(60)54-31(21-24(5)6)36(59)50-28(14-11-17-48-40(44)45)35(58)55-32(25(7)8)38(61)51-27(13-9-10-16-42)34(57)52-29(39(62)63)15-12-18-49-41(46)47/h22-32H,9-21,42-43H2,1-8H3,(H,50,59)(H,51,61)(H,52,57)(H,53,56)(H,54,60)(H,55,58)(H,62,63)(H4,44,45,48)(H4,46,47,49)/t26-,27-,28-,29-,30-,31-,32-/m0/s1" . "COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)OC(c1ccccc1Cl)C" . "COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)O[C@@H](c1ccccc1Cl)C" . "AWMDAFUCNYEZNI-CQSZACIVSA-N" . "InChI=1S/C23H22ClN3O3S/c1-13(25)23-21(30-14(2)15-7-5-6-8-16(15)24)11-22(31-23)27-12-26-17-9-19(28-3)20(29-4)10-18(17)27/h5-12,14H,1,25H2,2-4H3/t14-/m1/s1" . "COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)OCc1ccccc1C(F)(F)F" . "COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)OCc1ccccc1C(F)(F)F" . "SYQIMXCJFHFKLG-UHFFFAOYSA-N" . "InChI=1S/C23H20F3N3O3S/c1-13(27)22-20(32-11-14-6-4-5-7-15(14)23(24,25)26)10-21(33-22)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12H,1,11,27H2,2-3H3" . "NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2c1cc(cc2)C(F)(F)F" . "NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2c1cc(cc2)C(F)(F)F" . "LOKKVFGDJAVMLU-UHFFFAOYSA-N" . "InChI=1S/C20H13BrF3N3O2S/c21-13-4-2-1-3-11(13)9-29-16-8-17(30-18(16)19(25)28)27-10-26-14-6-5-12(7-15(14)27)20(22,23)24/h1-8,10H,9H2,(H2,25,28)" . "COc1cc(ccc1Nc1nc(Nc2cccc3c2cccn3)c2c(n1)[nH]cc2)N1CCN(CC1)C(C)C" . "COc1cc(ccc1Nc1nc(Nc2cccc3c2cccn3)c2c(n1)[nH]cc2)N1CCN(CC1)C(C)C" . "PEPOAPKYASCEKL-UHFFFAOYSA-N" . "InChI=1S/C29H32N8O/c1-19(2)36-14-16-37(17-15-36)20-9-10-25(26(18-20)38-3)33-29-34-27-22(11-13-31-27)28(35-29)32-24-8-4-7-23-21(24)6-5-12-30-23/h4-13,18-19H,14-17H2,1-3H3,(H3,31,32,33,34,35)" . "O=C(C(C(F)(F)F)(CC(c1cccc2c1OCC2)(C)C)O)Nc1ccc2c(c1)c(C)noc2=O" . "O=C(C(C(F)(F)F)(CC(c1cccc2c1OCC2)(C)C)O)Nc1ccc2c(c1)c(C)noc2=O" . "VRZVKIJRJRBQJT-UHFFFAOYSA-N" . "InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)" . "COc1ccc2c(c1)ccc(c2)c1c(nc(n1C)c1ccc(cc1C)S(=O)(=O)C)c1ccncc1" . "COc1ccc2c(c1)ccc(c2)c1c(nc(n1C)c1ccc(cc1C)S(=O)(=O)C)c1ccncc1" . "ZDSNJSQTPLXCSG-UHFFFAOYSA-N" . "InChI=1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3" . "COc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1" . "COc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1" . "FPQQERRFPULCIK-UHFFFAOYSA-N" . "InChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)" . "Cc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1" . "Cc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1" . "PAGDGWOISBNVEC-UHFFFAOYSA-N" . "InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)" . "OC(=O)C1CCN1" . "OC(=O)[C@@H]1CCN1" . "IADUEWIQBXOCDZ-VKHMYHEASA-N" . "InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1" . "CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1ccc(c2)c1cccc(c1F)OC" . "CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1ccc(c2)c1cccc(c1F)OC" . "ANMVTYAYYHHSTF-UHFFFAOYSA-N" . "InChI=1S/C27H28FN5O2/c1-3-32-13-15-33(16-14-32)20-10-7-18(8-11-20)27(34)29-26-22-12-9-19(17-23(22)30-31-26)21-5-4-6-24(35-2)25(21)28/h4-12,17H,3,13-16H2,1-2H3,(H2,29,30,31,34)" . "OC1CCC2(C(=CCC3C2CCC2(C3CC=C2n2cnc3c2cccc3)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2n2cnc3c2cccc3)C)C1)C" . "PAFKTGFSEFKSQG-PAASFTFBSA-N" . "InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1" . "OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(cc1F)N" . "OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(cc1F)N" . "GFJYPJDGRCZNDI-UHFFFAOYSA-N" . "InChI=1S/C16H14ClFN2O4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8,19H2,(H,20,23)(H,21,22)" . "CCOC(=O)c1[nH]c2c(c1)cc(cc2)c1cc(nn1C)C(=O)NCc1ccc(cc1)C(=O)O" . "CCOC(=O)c1[nH]c2c(c1)cc(cc2)c1cc(nn1C)C(=O)NCc1ccc(cc1)C(=O)O" . "MMJPVSDTLGFIQW-UHFFFAOYSA-N" . "InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)" . "O=C1N(C)c2c(C1=O)cc(cc2)[N+](=O)[O-]" . "O=C1N(C)c2c(C1=O)cc(cc2)[N+](=O)[O-]" . "JPTDPTOWOMFBRY-UHFFFAOYSA-N" . "InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3" . "C=CCC(C(=O)NC(C(=O)C(C(=O)NCCN1CCOCC1)(F)F)CC1CCCCC1)NC(=O)C(NS(=O)(=O)N1CCOCC1)Cc1ccccc1" . "C=CC[C@@H](C(=O)N[C@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)CC1CCCCC1)NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1" . "MQDDTALXSBQTQP-DTXPUJKBSA-N" . "InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1" . "CCOc1cccc(c1)c1ccc(cc1)COC(=O)N1CCCC1C(=O)NC(CC(=O)N)C#N" . "CCOc1cccc(c1)c1ccc(cc1)COC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C#N" . "BZVXYJWEOARYIS-UNMCSNQZSA-N" . "InChI=1S/C25H28N4O5/c1-2-33-21-6-3-5-19(13-21)18-10-8-17(9-11-18)16-34-25(32)29-12-4-7-22(29)24(31)28-20(15-26)14-23(27)30/h3,5-6,8-11,13,20,22H,2,4,7,12,14,16H2,1H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1" . "CC(CC(C(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)O)N)C" . "CC(C[C@@H]([C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C)O)N)C" . "PDGQBIYMLALKTR-FIQHERPVSA-N" . "InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10-,11-,12+/m0/s1" . "CCC(C(C(=O)N1CCC(C1C(=O)O)C(=O)O)NC(=O)C(C(CCS(=O)(=O)O)N)S)C" . "CC[C@H]([C@@H](C(=O)N1CCC([C@H]1C(=O)O)C(=O)O)NC(=O)[C@@H]([C@@H](CCS(=O)(=O)O)N)S)C" . "HUWSZNZAROKDRZ-RRLWZMAJSA-N" . "InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1" . "CNC(=O)CNC(=O)C1Cc2ccc(cc2)OCCCC(C(C(=O)N1)CC(C)C)C(=O)NO" . "CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@@H]([C@H](C(=O)N1)CC(C)C)C(=O)NO" . "HFAGTNGCAZYYLZ-OTWHNJEPSA-N" . "InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1" . "O=CC(NC(=O)c1ccc(nc1)CNS(=O)(=O)c1cccc(c1)C(=O)O)CC(=O)O" . "O=C[C@@H](NC(=O)c1ccc(nc1)CNS(=O)(=O)c1cccc(c1)C(=O)O)CC(=O)O" . "MENAYYMPBRSAAE-AWEZNQCLSA-N" . "InChI=1S/C18H17N3O8S/c22-10-14(7-16(23)24)21-17(25)12-4-5-13(19-8-12)9-20-30(28,29)15-3-1-2-11(6-15)18(26)27/h1-6,8,10,14,20H,7,9H2,(H,21,25)(H,23,24)(H,26,27)/t14-/m0/s1" . "SC(C(=O)NC(C(=O)O)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1" . "S[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1" . "BNECOBGISSOLPT-FCHUYYIVSA-N" . "InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,29H,15-16H2,(H,25,26)(H,27,28)/t21-,22+/m0/s1" . "COc1ccc(cc1)C(=O)N1C(=O)OC(C1=O)(C)C" . "COc1ccc(cc1)C(=O)N1C(=O)OC(C1=O)(C)C" . "ZYRNCIWULACSEK-UHFFFAOYSA-N" . "InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3" . "FCC(=N)NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O" . "FCC(=N)NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O" . "HBEIARVCIYYMOR-UHFFFAOYSA-N" . "InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)" . "CCS(=O)(=O)N(C1C(O)C(C)(C)Oc2c1cc(cc2)C#N)C" . "CCS(=O)(=O)N([C@H]1[C@H](O)C(C)(C)Oc2c1cc(cc2)C#N)C" . "HVSJHHXUORMCGK-KGLIPLIRSA-N" . "InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1" . "NCC(=O)O" . "NCC(=O)O" . "DHMQDGOQFOQNFH-UHFFFAOYSA-N" . "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" . "NC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)C)NC(=O)C(CCCN=C(N)N)N" . "NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)C)NC(=O)[C@H](CCCN=C(N)N)N" . "JRNGHBUUFQDBPT-LAQRGFTBSA-N" . "InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-/m0/s1" . "NCCOC(C(=O)O)Cc1ncn(c1)c1ccccc1" . "NCCO[C@H](C(=O)O)Cc1ncn(c1)c1ccccc1" . "LVCATUGNENEDGZ-ZDUSSCGKSA-N" . "InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1" . "NCC(=O)NC(Cc1ccccc1)C#N" . "NCC(=O)NC(Cc1ccccc1)C#N" . "QLVGHFBUSGYCCG-UHFFFAOYSA-N" . "InChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)" . "O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]" . "O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]" . "QNYRAEKLMNDRFY-UHFFFAOYSA-N" . "InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2" . "O=C1CC(Cc2ccc(cc2)O)NC(=O)C(N)CCC=CCCC(N1)C(=O)NCc1ccccc1CC(=O)O" . "O=C1C[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CC/C=C/CC[C@H](N1)C(=O)NCc1ccccc1CC(=O)O" . "QUJXIMWUJGTUEG-CLKUPZDLSA-N" . "InChI=1S/C29H36N4O6/c30-24-9-3-1-2-4-10-25(29(39)31-18-21-8-6-5-7-20(21)16-27(36)37)33-26(35)17-22(32-28(24)38)15-19-11-13-23(34)14-12-19/h1-2,5-8,11-14,22,24-25,34H,3-4,9-10,15-18,30H2,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/b2-1+/t22-,24-,25-/m0/s1" . "O=C1C=CC=CC1=CC=c1ccc2c([nH]1)cccc2" . "O=C1C=CC=C/C/1=C/C=c/1/ccc2c([nH]1)cccc2" . "YWORVGQOCNQBFI-VDQVFBMKSA-N" . "InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,18H/b14-10+,15-12+" . "CSc1sc(cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1cc(F)ccc1F)C(=N)N" . "CSc1sc(cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1cc(F)ccc1F)C(=N)N" . "HEZXZGJJNMPIJM-UHFFFAOYSA-N" . "InChI=1S/C20H15BrF2N4O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)12-5-13(21)18-15(6-12)26-9-27(18)8-10-4-11(22)2-3-14(10)23/h2-7,9H,8H2,1H3,(H3,24,25)" . "CC(CC(B(O)O)NC(=O)CCn1ccc2c(c1=O)cccc2)C" . "CC(C[C@@H](B(O)O)NC(=O)CCn1ccc2c(c1=O)cccc2)C" . "QCKLWTRAVKQTPI-HNNXBMFYSA-N" . "InChI=1S/C17H23BN2O4/c1-12(2)11-15(18(23)24)19-16(21)8-10-20-9-7-13-5-3-4-6-14(13)17(20)22/h3-7,9,12,15,23-24H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1" . "CCN1CCCC(C1)Nc1nc(nc2c1cc(I)cc2)C(F)(F)F" . "CCN1CCCC(C1)Nc1nc(nc2c1cc(I)cc2)C(F)(F)F" . "IRWWFCJIOHCTMV-UHFFFAOYSA-N" . "InChI=1S/C16H18F3IN4/c1-2-24-7-3-4-11(9-24)21-14-12-8-10(20)5-6-13(12)22-15(23-14)16(17,18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,21,22,23)" . "O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C" . "TZYWCYJVHRLUCT-VABKMULXSA-N" . "InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1" . "CC(CC(C(=O)NC(C(=O)C(=O)NCCCn1cnc2c1ncnc2N)Cc1ccccc1)NC(=O)OCc1ccccc1)C" . "CC(C[C@@H](C(=O)NC(C(=O)C(=O)NCCCn1cnc2c1ncnc2N)Cc1ccccc1)NC(=O)OCc1ccccc1)C" . "OVLNPOAZKHQAAD-BBMPLOMVSA-N" . "InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1" . "CCC(C(=O)C(=O)NCCCn1cnc2c1nc(OC)nc2N)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C" . "CCC(C(=O)C(=O)NCCCn1cnc2c1nc(OC)nc2N)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C" . "MBPXUEHDROHPFW-ANYOKISRSA-N" . "InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1" . "CCCCC(NC(=O)OC(Cc1ccccc1)C)C=O" . "CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C)C=O" . "WNKGMQLRHKONID-ZFWWWQNUSA-N" . "InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1" . "OC(=O)CNC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=N)N)Cc1ccc(cc1)N)CC1CCCCC1" . "OC(=O)CN[C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=N)N)Cc1ccc(cc1)N)CC1CCCCC1" . "CHAFCBBAYJKFNL-RPWUZVMVSA-N" . "InChI=1S/C28H38N6O4/c29-22-12-8-19(9-13-22)15-24(27(37)33-16-20-6-10-21(11-7-20)26(30)31)34-28(38)23(32-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,32H,1-5,14-17,29H2,(H3,30,31)(H,33,37)(H,34,38)(H,35,36)/t23-,24+/m1/s1" . "OC(=O)C(Cc1ccc(c(c1)O)O)N" . "OC(=O)[C@](C(c1ccc(c(c1)O)O)([2H])[2H])(N)[2H]" . "WTDRDQBEARUVNC-QZRTVAIESA-N" . "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3D2,6D" . "N#Cc1cccc(c1NC(=O)Cn1c2ccccc2c2c1cccc2)Cl" . "N#Cc1cccc(c1NC(=O)Cn1c2ccccc2c2c1cccc2)Cl" . "ZDAKKNHUWVTCRS-UHFFFAOYSA-N" . "InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)" . "COC(=O)N1N(C(=O)OC)C(=O)C1(C1CCCC1)c1ccccc1" . "COC(=O)N1N(C(=O)OC)C(=O)[C@@]1(C1CCCC1)c1ccccc1" . "ZRHWCAFAIHTQKD-KRWDZBQOSA-N" . "InChI=1S/C17H20N2O5/c1-23-15(21)18-14(20)17(13-10-6-7-11-13,19(18)16(22)24-2)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t17-/m0/s1" . "N#CC1CCCN1C(=O)C(Cc1cccc2c1cccc2)N" . "N#C[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2c1cccc2)N" . "ZVRWNKCHASBEDZ-RDJZCZTQSA-N" . "InChI=1S/C18H19N3O/c19-12-15-8-4-10-21(15)18(22)17(20)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,17H,4,8,10-11,20H2/t15-,17-/m0/s1" . "O=c1sn(c(=O)n1Cc1ccccc1)c1cccc2c1cccc2" . "O=c1sn(c(=O)n1Cc1ccccc1)c1cccc2c1cccc2" . "PMJIHLSCWIDGMD-UHFFFAOYSA-N" . "InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2" . "O=C(N1CCC(C1)Cc1n[nH]c(=O)n1c1ccc(cc1)c1ccc2c(c1)cco2)C1CC1" . "O=C(N1CC[C@H](C1)Cc1n[nH]c(=O)n1c1ccc(cc1)c1ccc2c(c1)cco2)C1CC1" . "AQTPWCUIYUOEMG-INIZCTEOSA-N" . "InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1" . "O=C(CCc1ccc(n1B(F)F)C=C1C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "O=C(CCc1ccc(n1B(F)F)/C=C/1/C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "QGXCAYBSIKPOHP-ORIPQNMZSA-N" . "InChI=1S/C40H43BF2N8O3S/c42-41(43)51-30(14-15-31(51)27-29-13-17-33(46-29)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-48-22-24-49(25-23-48)28-38(53)50-35-11-4-3-9-32(35)40(54)47-34-10-7-20-45-39(34)50/h3-4,7-15,17,20,26-27H,1-2,5-6,16,18-19,21-25,28H2,(H,44,52)(H,47,54)/b29-27+" . "[O-][N+](=O)c1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1" . "[O-][N+](=O)c1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1" . "LQGHUZLZFHCQPO-UHFFFAOYSA-N" . "InChI=1S/C23H15N3O2/c27-26(28)16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(25-22)20-14-24-21-9-5-4-8-17(20)21/h1-14,24H" . "Clc1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1" . "Clc1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1" . "LTUZPODERZUPRD-UHFFFAOYSA-N" . "InChI=1S/C23H15ClN2/c24-16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(26-22)20-14-25-21-9-5-4-8-17(20)21/h1-14,25H" . "CC(C(C(=O)NC(C(=O)NCc1ccc(cc1)C(=N)N)CCCN=C(N)N)NC(=O)C(NC(=O)Cc1ccc(cc1)CN=C(N)N)CCCN=C(N)N)(C)C" . "CC([C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=N)N)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)CN=C(N)N)CCCN=C(N)N)(C)C" . "HXVPWVPTVOOCMV-UNCTUWKVSA-N" . "InChI=1S/C36H57N15O4/c1-36(2,3)28(32(55)50-25(6-4-16-45-33(39)40)30(53)47-19-23-12-14-24(15-13-23)29(37)38)51-31(54)26(7-5-17-46-34(41)42)49-27(52)18-21-8-10-22(11-9-21)20-48-35(43)44/h8-15,25-26,28H,4-7,16-20H2,1-3H3,(H3,37,38)(H,47,53)(H,49,52)(H,50,55)(H,51,54)(H4,39,40,45)(H4,41,42,46)(H4,43,44,48)/t25-,26-,28+/m0/s1" . "O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "SRLBGILQMKQWSJ-UHFFFAOYSA-H" . "InChI=1S/C49H57N7O12S3/c1-29-42-35(28-69-29)48(59)53-38-12-8-9-13-39(38)56(42)40(57)27-55-24-22-54(23-25-55)21-11-7-5-3-2-4-6-10-20-52-47(58)30-14-15-31(34(26-30)49(60)61)41-32-16-18-36(50)45(70(62,63)64)43(32)68-44-33(41)17-19-37(51)46(44)71(65,66)67/h8-9,12-19,26,28,50,62-67H,2-7,10-11,20-25,27,51H2,1H3,(H,52,58)(H,53,59)(H,60,61)/p-6" . "O=C(OC(C)(C)C)NCC(c1cc(F)ccc1F)Cc1cnc2c(c1)cccc2" . "O=C(OC(C)(C)C)NC[C@H](c1cc(F)ccc1F)Cc1cnc2c(c1)cccc2" . "IRFHMTUHTBSEBK-QGZVFWFLSA-N" . "InChI=1S/C23H24F2N2O2/c1-23(2,3)29-22(28)27-14-17(19-12-18(24)8-9-20(19)25)11-15-10-16-6-4-5-7-21(16)26-13-15/h4-10,12-13,17H,11,14H2,1-3H3,(H,27,28)/t17-/m1/s1" . "O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "DGPHRPUJPHDIPO-UHFFFAOYSA-L" . "InChI=1S/C59H73N7O7S2/c1-38-54-43(37-74-38)57(69)61-46-16-12-13-17-49(46)66(54)53(68)36-63-30-28-62(29-31-63)25-15-11-9-7-6-8-10-14-24-60-52(67)33-39-18-20-47-44(32-39)58(2,3)55-41-35-42-51(73-50(41)22-26-64(47)55)23-27-65-48-21-19-40(75(70,71)72)34-45(48)59(4,5)56(42)65/h12-13,16-21,32,34-35,37,50-51H,6-11,14-15,22-31,33,36H2,1-5H3,(H4-,60,61,67,69,70,71,72)/p-2" . "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C" . "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C" . "UEMQPCYDWCSVCU-UHFFFAOYSA-N" . "InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3" . "COC(=O)NCC(c1cc(CCCCCc2ccc(cc2)NC(=O)C(N2CCCC(C2=O)N)C2CCCCC2)ccc1F)Cc1cnc2c(c1)cccc2" . "COC(=O)NC[C@H](c1cc(CCCCCc2ccc(cc2)NC(=O)[C@@H](N2CCC[C@@H](C2=O)N)C2CCCCC2)ccc1F)Cc1cnc2c(c1)cccc2" . "SDVPSGCYRLUZSS-WXSHXSFMSA-N" . "InChI=1S/C44H54FN5O4/c1-54-44(53)48-29-35(26-32-25-34-15-8-9-17-40(34)47-28-32)37-27-31(20-23-38(37)45)12-5-2-4-11-30-18-21-36(22-19-30)49-42(51)41(33-13-6-3-7-14-33)50-24-10-16-39(46)43(50)52/h8-9,15,17-23,25,27-28,33,35,39,41H,2-7,10-14,16,24,26,29,46H2,1H3,(H,48,53)(H,49,51)/t35-,39+,41+/m1/s1" . "COC(=O)NCC(c1ccc(cc1)OCCCCCc1ccc(cc1)NC(=O)C(N1CCCC(C1=O)N)C1CCCCC1)Cc1cnc2c(c1)cccc2" . "COC(=O)NC[C@H](c1ccc(cc1)OCCCCCc1ccc(cc1)NC(=O)[C@@H](N1CCC[C@@H](C1=O)N)C1CCCCC1)Cc1cnc2c(c1)cccc2" . "IGRIVAWLJUPVMM-UDEWTJCRSA-N" . "InChI=1S/C44H55N5O5/c1-53-44(52)47-30-36(28-32-27-35-14-7-8-16-40(35)46-29-32)33-19-23-38(24-20-33)54-26-9-3-4-11-31-17-21-37(22-18-31)48-42(50)41(34-12-5-2-6-13-34)49-25-10-15-39(45)43(49)51/h7-8,14,16-24,27,29,34,36,39,41H,2-6,9-13,15,25-26,28,30,45H2,1H3,(H,47,52)(H,48,50)/t36-,39+,41+/m1/s1" . "O=C1CCCN1CC#CC[N+](C)(C)C" . "O=C1CCCN1CC#CC[N+](C)(C)C" . "CANZROMYQDHYHR-UHFFFAOYSA-N" . "InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1" . "CN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "CN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "VSWPGAIWKHPTKX-UHFFFAOYSA-N" . "InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)" . "CC(=O)OCC[N+](C)(C)C" . "CC(=O)OCC[N+](C)(C)C" . "OIPILFWXSMYKGL-UHFFFAOYSA-N" . "InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1" . "O=C(C(c1cccs1)(c1cccs1)O)OC1CC2C3C(C(C1)[N+]2(C)C)O3" . "O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3" . "LERNTVKEWCAPOY-FPISHFTHSA-N" . "InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16-,17+" . "CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)C(c1ccccn1)C" . "CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C" . "JMYDHMCYZKRDPD-AWEZNQCLSA-N" . "InChI=1S/C21H21N3O4/c1-14(19-9-4-5-10-22-19)24(3)21(26)20-12-18(28-23-20)13-27-17-8-6-7-16(11-17)15(2)25/h4-12,14H,13H2,1-3H3/t14-/m0/s1" . "COC(=O)c1cn(cc1CCC(=O)O)CC(C(c1cc(OC)c(c(c1)OC)C(=O)C)O)CC1Cc2c(C1)cccc2" . "COC(=O)c1cn(cc1CCC(=O)O)C[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)C(=O)C)O)CC1Cc2c(C1)cccc2" . "URHZQBASTULQKJ-VVFBEHOQSA-N" . "InChI=1S/C32H37NO8/c1-19(34)30-27(39-2)14-24(15-28(30)40-3)31(37)25(13-20-11-21-7-5-6-8-22(21)12-20)17-33-16-23(9-10-29(35)36)26(18-33)32(38)41-4/h5-8,14-16,18,20,25,31,37H,9-13,17H2,1-4H3,(H,35,36)/t25-,31+/m0/s1" . "COC(=O)c1cn(cc1CC(=O)O)CC(C(c1cc(OC)c(c(c1)OC)C)O)CC1Cc2c(C1)cccc2" . "COC(=O)c1cn(cc1CC(=O)O)C[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)C)O)CC1Cc2c(C1)cccc2" . "PMPFDANPLYTSTM-PWUYWRBVSA-N" . "InChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1" . "COc1cc(cc(c1C)OC)C(C(OC1Cc2c(C1)cccc2)COc1ccc(cc1)C1(CC1)C(=O)O)O" . "COc1cc(cc(c1C)OC)[C@H]([C@@H](OC1Cc2c(C1)cccc2)COc1ccc(cc1)C1(CC1)C(=O)O)O" . "FVESDCZDESZGHA-URLMMPGGSA-N" . "InChI=1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1" . "O=C(c1ccc(cc1)OCC1CC1)Nc1ccc2c(c1C)ncc(c2)C(N1CCCC1)C" . "O=C(c1ccc(cc1)OCC1CC1)Nc1ccc2c(c1C)ncc(c2)[C@H](N1CCCC1)C" . "DFWKNBVJNXPUBW-LJQANCHMSA-N" . "InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)/t19-/m1/s1" . "CN(C(=O)C(c1ccccc1)(c1ccccc1)O)CC1C2C1CNC2" . "CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2" . "AARSINSGAQDAKQ-REPLKXPHSA-N" . "InChI=1S/C21H24N2O2/c1-23(14-19-17-12-22-13-18(17)19)20(24)21(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-19,22,25H,12-14H2,1H3/t17-,18+,19-" . "Clc1ccc(cc1)C1C(CCC(=O)N1c1ccc2c(c1)n(C)c(=O)cc2C)NS(=O)(=O)CC(C)C" . "Clc1ccc(cc1)[C@@H]1[C@H](CCC(=O)N1c1ccc2c(c1)n(C)c(=O)cc2C)NS(=O)(=O)CC(C)C" . "LVDRREOUMKACNJ-BKMJKUGQSA-N" . "InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1" . "N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCc1cnn(c1)C" . "N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCc1cnn(c1)C" . "RRZVGDGTWNQAPW-UHFFFAOYSA-N" . "InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3" . "OC(=O)C(=Cc1c[nH]c2c1cc(Br)cc2)S" . "OC(=O)/C(=C/c1c[nH]c2c1cc(Br)cc2)/S" . "RLEKFRNXGFHPHZ-KMKOMSMNSA-N" . "InChI=1S/C11H8BrNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-5,13,16H,(H,14,15)/b10-3-" . "OCC(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C2CSSCC(NC(=O)C(NC1=O)Cc1ccc(cc1)O)C(=O)NC(CO)C(=O)NCC(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)N)CCCCNC(=O)CCCCCN1c2ccc(cc2C(C1=CC=CC=CC1=[N+](CCCCS(=O)(=O)O)c2c(C1(C)CCCCS(=O)(=O)O)cc(cc2)S(=O)(=O)[O-])(C)C)S(=O)(=O)O)C(O)C)CCC(=O)O)C(O)C)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C)C" . "OC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N)CCCCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C/C=C/C=C/C1=[N+](CCCCS(=O)(=O)O)c2c(C1(C)CCCCS(=O)(=O)O)cc(cc2)S(=O)(=O)[O-])(C)C)S(=O)(=O)O)[C@H](O)C)CCC(=O)O)[C@H](O)C)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)C)C" . "UQYUYHHXESUXGH-ABPLELQPSA-N" . "InChI=1S/C156H212N34O52S8/c1-85(169-88(4)195)135(212)165-76-126(202)171-111(80-192)145(222)184-114-83-245-244-82-113(183-144(221)109(69-92-72-162-100-31-17-16-30-97(92)100)179-148(225)112-81-243-246-84-115(182-143(220)108(178-147(114)224)68-91-41-45-94(197)46-42-91)149(226)180-110(79-191)137(214)168-78-128(204)189-62-27-35-119(189)153(230)190-63-26-34-118(190)150(227)174-102(33-25-59-161-154(158)159)138(215)176-106(66-89-28-11-8-12-29-89)141(218)172-104(139(216)181-112)50-55-130(207)208)146(223)177-107(67-90-39-43-93(196)44-40-90)142(219)173-105(51-56-131(209)210)140(217)186-133(87(3)194)152(229)175-103(49-54-129(205)206)136(213)166-77-127(203)185-132(86(2)193)151(228)167-74-124(200)163-73-123(199)164-75-125(201)170-101(134(157)211)32-18-20-58-160-122(198)38-15-10-21-60-187-116-52-47-95(249(237,238)239)70-98(116)155(5,6)120(187)36-13-9-14-37-121-156(7,57-19-23-64-247(231,232)233)99-71-96(250(240,241)242)48-53-117(99)188(121)61-22-24-65-248(234,235)236/h8-9,11-14,16-17,28-31,36-37,39-48,52-53,70-72,85-87,101-115,118-119,132-133,162,191-194H,10,15,18-27,32-35,38,49-51,54-69,73-84H2,1-7H3,(H39-,157,158,159,160,161,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,195,196,197,198,199,200,201,202,203,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,231,232,233,234,235,236,237,238,239,240,241,242)/t85-,86+,87+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,118-,119-,132-,133-,156?/m0/s1" . "CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC" . "CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC" . "BCUGCHZRMKTPMU-UHFFFAOYSA-N" . "InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,7-8,10,14-15,17-20H2,1-2H3,(H,29,34)" . "CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2" . "CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2" . "UFJWXHOFKIGIAF-UHFFFAOYSA-N" . "InChI=1S/C21H22ClN3O2/c1-24-11-9-14(10-12-24)13-19(26)25-18-8-3-2-5-15(18)21(27)23-17-7-4-6-16(22)20(17)25/h2-8,14H,9-13H2,1H3,(H,23,27)" . "O=C(Nc1ccc2c(c1)ccnc2)NCC(=O)N1CCCC1" . "O=C(Nc1ccc2c(c1)ccnc2)NCC(=O)N1CCCC1" . "DMIDPTCQPIJYFE-UHFFFAOYSA-N" . "InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)" . "NC(=NCCCC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC(C(=O)O)C)C(C)C)C)N)N" . "NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C(C)C)C)N)N" . "VZQHRKZCAZCACO-PYJNHQTQSA-N" . "InChI=1S/C20H36N8O6/c1-9(2)14(18(32)27-12(5)19(33)34)28-16(30)11(4)25-15(29)10(3)26-17(31)13(21)7-6-8-24-20(22)23/h9-10,12-14H,4,6-8,21H2,1-3,5H3,(H,25,29)(H,26,31)(H,27,32)(H,28,30)(H,33,34)(H4,22,23,24)/t10-,12-,13-,14-/m0/s1" . "CCC(C(=O)N1C(Cc2c1cccc2F)C(=O)NCC(F)(F)F)N" . "CC[C@@H](C(=O)N1[C@H](Cc2c1cccc2F)C(=O)NCC(F)(F)F)N" . "GNYDXSHWPPTVEX-CMPLNLGQSA-N" . "InChI=1S/C15H17F4N3O2/c1-2-10(20)14(24)22-11-5-3-4-9(16)8(11)6-12(22)13(23)21-7-15(17,18)19/h3-5,10,12H,2,6-7,20H2,1H3,(H,21,23)/t10-,12+/m0/s1" . "NCCCCN(C1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2" . "NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2" . "WVLHHLRVNDMIAR-IBGZPJMESA-N" . "InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1" . "OCCCC1C(OCC)OC(=CC1c1csc2c1cccc2)C(=O)Nc1ccccc1" . "OCCC[C@@H]1[C@@H](OCC)OC(=C[C@H]1c1csc2c1cccc2)C(=O)Nc1ccccc1" . "DPIFUIZFNOZKRB-DFIYOIEZSA-N" . "InChI=1S/C25H27NO4S/c1-2-29-25-19(12-8-14-27)20(21-16-31-23-13-7-6-11-18(21)23)15-22(30-25)24(28)26-17-9-4-3-5-10-17/h3-7,9-11,13,15-16,19-20,25,27H,2,8,12,14H2,1H3,(H,26,28)/t19-,20+,25-/m0/s1" . "SC1CN(CC1NS(=O)(=O)c1ccc(cc1)Oc1ccccc1)C(=O)CCCCCNC(=O)C" . "S[C@H]1CN(C[C@@H]1NS(=O)(=O)c1ccc(cc1)Oc1ccccc1)C(=O)CCCCCNC(=O)C" . "MUWDEQLPHWVPPA-GOTSBHOMSA-N" . "InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1" . "COc1cc(cc2c1n(C)c(n2)c1cc2c(n1CC1CC1)cccc2)C(=O)N1CCC(C(C1)N)O" . "COc1cc(cc2c1n(C)c(n2)c1cc2c(n1CC1CC1)cccc2)C(=O)N1CC[C@H]([C@H](C1)N)O" . "BDYDINKSILYBOL-WMZHIEFXSA-N" . "InChI=1S/C27H31N5O3/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3/t19-,23+/m0/s1" . "CCN(C(=O)CNCc1nccc(c1)C(=O)N)CCN(C)C" . "CCN(C(=O)CNCc1nccc(c1)C(=O)N)CCN(C)C" . "PNFMVADNCOGWME-UHFFFAOYSA-N" . "InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)" . "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(c(=O)n2C)C" . "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(c(=O)n2C)C" . "QCIJLRJBZDBVDB-UHFFFAOYSA-N" . "InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)" . "NC(=O)CCC(C(=O)O)N" . "NC(=O)CC[C@@H](C(=O)O)N" . "ZDXPYRJPNDTMRX-VKHMYHEASA-N" . "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" . "CCC(C(=O)C(=O)NCC(c1ccccc1)O)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C" . "CCC(C(=O)C(=O)NCC(c1ccccc1)O)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C" . "CZZWUFZBGQIPTE-UHFFFAOYSA-N" . "InChI=1S/C27H35N3O6/c1-4-21(24(32)26(34)28-16-23(31)20-13-9-6-10-14-20)29-25(33)22(15-18(2)3)30-27(35)36-17-19-11-7-5-8-12-19/h5-14,18,21-23,31H,4,15-17H2,1-3H3,(H,28,34)(H,29,33)(H,30,35)" . "ONC(=O)C1(CCN(CC1)C(=O)OC1CCCC1O)CS(=O)(=O)N1CCC(CC1)c1ccccc1C" . "ONC(=O)C1(CCN(CC1)C(=O)OC1CCCC1O)CS(=O)(=O)N1CCC(CC1)c1ccccc1C" . "JRYQAIVHIZIBOQ-UHFFFAOYSA-N" . "InChI=1S/C25H37N3O7S/c1-18-5-2-3-6-20(18)19-9-13-28(14-10-19)36(33,34)17-25(23(30)26-32)11-15-27(16-12-25)24(31)35-22-8-4-7-21(22)29/h2-3,5-6,19,21-22,29,32H,4,7-17H2,1H3,(H,26,30)" . "ONC(=O)CC(C(=O)NC(C(=O)Nc1ccc(cc1)C(=O)OC)CC(C)C)CC(C)C" . "ONC(=O)C[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)C(=O)OC)CC(C)C)CC(C)C" . "CEEASCNCHQSPKF-AEFFLSMTSA-N" . "InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1" . "O=CC(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C)CCC(=O)O)CC(=O)O" . "O=C[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)C)CCC(=O)O)CC(=O)O" . "KYUFGGNCJRWMDN-GOYXDOSHSA-N" . "InChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12-,14-,15-,18-,19-/m0/s1" . "O=C1Cc2c(ccc(c2CCC1N)Br)c1ccccc1" . "O=C1Cc2c(ccc(c2CCC1N)Br)c1ccccc1" . "XFZZDIHCNHYESF-UHFFFAOYSA-N" . "InChI=1S/C17H16BrNO/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20)16(19)9-7-13(14)15/h1-6,8,16H,7,9-10,19H2" . "OB(C1CCCN1C(=O)C(C(C)C)NC(=O)c1ccncc1)O" . "OB([C@H]1CCCN1C(=O)[C@@H](C(C)C)NC(=O)c1ccncc1)O" . "MXZNUGFCDVAXLG-CHWSQXEVSA-N" . "InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-7-17-8-6-11)15(21)19-9-3-4-12(19)16(22)23/h5-8,10,12-13,22-23H,3-4,9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1" . "OB(C1CCCN1C(=O)C(NC(=O)c1ccncc1)C)O" . "OB([C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccncc1)C)O" . "DRBWRJPFNOBNIO-KOLCDFICSA-N" . "InChI=1S/C13H18BN3O4/c1-9(16-12(18)10-4-6-15-7-5-10)13(19)17-8-2-3-11(17)14(20)21/h4-7,9,11,20-21H,2-3,8H2,1H3,(H,16,18)/t9-,11+/m1/s1" . "CC(n1c(C)ncc1c1ccnc(n1)Nc1ccc(cc1)S(=O)(=O)C)C" . "CC(n1c(C)ncc1c1ccnc(n1)Nc1ccc(cc1)S(=O)(=O)C)C" . "WJRRGYBTGDJBFX-UHFFFAOYSA-N" . "InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)" . "ONC(=O)C(N(S(=O)(=O)c1ccc(cc1)OC)Cc1ccc2c(c1)OCO2)Cc1cccs1" . "ONC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)OC)Cc1ccc2c(c1)OCO2)Cc1cccs1" . "PGEHBYYTLWHQOM-LJQANCHMSA-N" . "InChI=1S/C22H22N2O7S2/c1-29-16-5-7-18(8-6-16)33(27,28)24(13-15-4-9-20-21(11-15)31-14-30-20)19(22(25)23-26)12-17-3-2-10-32-17/h2-11,19,26H,12-14H2,1H3,(H,23,25)/t19-/m1/s1" . "COc1c(OC)c(OC)c2c(c1O)c(=O)c1c(n2C)c(O)ccc1" . "COc1c(OC)c(OC)c2c(c1O)c(=O)c1c(n2C)c(O)ccc1" . "QYPQTPVQPNLXHV-UHFFFAOYSA-N" . "InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3" . "CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCCN)CCCCN)CCCCN)CO)N" . "CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CCCCN)CCCCN)CCCCN)CO)N" . "LJUIOEFZFQRWJG-KKIBDXJDSA-N" . "InChI=1S/C65H126N10O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-58(77)86-48-51(87-59(78)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-88-50-52(70)60(79)75-57(47-76)64(83)73-54(38-30-34-44-67)62(81)71-53(37-29-33-43-66)61(80)72-55(39-31-35-45-68)63(82)74-56(65(84)85)40-32-36-46-69/h51-57,76H,3-50,66-70H2,1-2H3,(H,71,81)(H,72,80)(H,73,83)(H,74,82)(H,75,79)(H,84,85)/t51?,52-,53-,54-,55-,56-,57-/m0/s1" . "O=C(c1ccc(cc1)N=C(N)N)Oc1ccc(cc1)C" . "O=C(c1ccc(cc1)N=C(N)N)Oc1ccc(cc1)C" . "OELAPCOUDOSGBC-UHFFFAOYSA-N" . "InChI=1S/C15H15N3O2/c1-10-2-8-13(9-3-10)20-14(19)11-4-6-12(7-5-11)18-15(16)17/h2-9H,1H3,(H4,16,17,18)" . "CC(=O)NC(C(=O)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1)Cc1ccccc1" . "CC(=O)N[C@H](C(=O)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1)Cc1ccccc1" . "NHHPRDYQOKYIBK-VWLOTQADSA-N" . "InChI=1S/C28H28N6O2/c1-20(35)30-25(19-21-9-3-2-4-10-21)28(36)34-17-15-33(16-18-34)27-22-11-5-6-12-23(22)31-26(32-27)24-13-7-8-14-29-24/h2-14,25H,15-19H2,1H3,(H,30,35)/t25-/m0/s1" . "OC(=O)c1ccc(cc1)NC(c1ccc2c(c1O)nccc2)c1ccccc1" . "OC(=O)c1ccc(cc1)NC(c1ccc2c(c1O)nccc2)c1ccccc1" . "PSCFZETTYRDCRM-UHFFFAOYSA-N" . "InChI=1S/C23H18N2O3/c26-22-19(13-10-16-7-4-14-24-21(16)22)20(15-5-2-1-3-6-15)25-18-11-8-17(9-12-18)23(27)28/h1-14,20,25-26H,(H,27,28)" . "CC#Cc1cncc(c1)c1csc(c1)C1(C)CC(=O)N(C(=N1)N)C" . "CC#Cc1cncc(c1)c1csc(c1)[C@]1(C)CC(=O)N(C(=N1)N)C" . "IKFZEHQGULJMKI-SFHVURJKSA-N" . "InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(B1OC2C(O1)(C)C1CC(C2)C1(C)C)CCc1ccc(cc1)F)C(C)C)C(C)C)NC(=O)C(CC(=O)O)N" . "OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)CCc1ccc(cc1)F)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)N" . "JAXFJECJQZDFJS-XHEPKHHKSA-N" . "InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1" . "Brc1ccc(cc1)C1CC(CCC1C(=O)NC(c1ccnc(c1)F)c1ccc(cc1)Cl)N1CCOCC1" . "Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)NC(c1ccnc(c1)F)c1ccc(cc1)Cl)N1CCOCC1" . "ABJSOROVZZKJGI-OCYUSGCXSA-N" . "InChI=1S/C29H30BrClFN3O2/c30-22-5-1-19(2-6-22)26-18-24(35-13-15-37-16-14-35)9-10-25(26)29(36)34-28(20-3-7-23(31)8-4-20)21-11-12-33-27(32)17-21/h1-8,11-12,17,24-26,28H,9-10,13-16,18H2,(H,34,36)/t24-,25-,26+,28?/m1/s1" . "O=CN(C1(CCN(CC1)C(=O)C1CCC1)CS(=O)(=O)N1CCC(CC1)CCc1ccc(cc1C)Cl)O" . "O=CN(C1(CCN(CC1)C(=O)C1CCC1)CS(=O)(=O)N1CCC(CC1)CCc1ccc(cc1C)Cl)O" . "SIXCEPSXNLUZTE-UHFFFAOYSA-N" . "InChI=1S/C26H38ClN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3" . "C(=Cc1ccc(cc1)c1ccccc1)C1CN2CCC1CC2" . "C(=C/c1ccc(cc1)c1ccccc1)/C1CN2CCC1CC2" . "OBORHRVWTIDYCG-DHZHZOJOSA-N" . "InChI=1S/C21H23N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-11,20-21H,12-16H2/b11-8+" . "NC(C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F" . "N[C@H](C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F" . "ZKIQFLSGMMYCGS-SANMLTNESA-N" . "InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2/t26-/m0/s1" . "NCc1c(C)nc2n(c1c1ccc(cc1Cl)Cl)cc(n2)C(=O)NCCc1ccccn1" . "NCc1c(C)nc2n(c1c1ccc(cc1Cl)Cl)cc(n2)C(=O)NCCc1ccccn1" . "JGJABGSOYWQCSC-UHFFFAOYSA-N" . "InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31)" . "OC1CCCCC1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C" . "O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C" . "SXJQBWJPNSOKQV-UIOOFZCWSA-N" . "InChI=1S/C28H27N5O2/c1-32-16-20(15-31-32)24-11-10-18(14-29-24)12-19-13-23-27(22-7-3-2-6-21(19)22)30-17-33(28(23)35)25-8-4-5-9-26(25)34/h2-3,6-7,10-11,13-17,25-26,34H,4-5,8-9,12H2,1H3/t25-,26-/m0/s1" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)Cc1cc(OC)c(cc1N(=O)=O)OC)F" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)Cc1cc(OC)c(cc1N(=O)=O)OC)F" . "JMMXKBJIBAVJSU-UHFFFAOYSA-N" . "InChI=1S/C32H27ClF2N4O7S/c1-4-11-47(43,44)37-25-10-9-24(34)29(30(25)35)31(40)23-17-38(16-20-13-27(45-2)28(46-3)14-26(20)39(41)42)32-22(23)12-19(15-36-32)18-5-7-21(33)8-6-18/h5-10,12-15,17,37H,4,11,16H2,1-3H3" . "O=C(NC(C(=O)NC(C(=O)Nc1ccc2c(c1)[nH]c(=O)cc2C)CCCNC(=O)OC(C)(C)C)CC1CCCCC1)OCC1C2C=CC=CC2c2c1cccc2" . "O=C(N[C@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)[nH]c(=O)cc2C)CCCNC(=O)OC(C)(C)C)CC1CCCCC1)OCC1C2C=CC=CC2c2c1cccc2" . "DSRPDMJWEFCXMI-GHKFOJCISA-N" . "InChI=1S/C44H55N5O7/c1-27-23-39(50)47-37-25-29(20-21-30(27)37)46-40(51)36(19-12-22-45-42(53)56-44(2,3)4)48-41(52)38(24-28-13-6-5-7-14-28)49-43(54)55-26-35-33-17-10-8-15-31(33)32-16-9-11-18-34(32)35/h8-11,15-18,20-21,23,25,28,31,33,35-36,38H,5-7,12-14,19,22,24,26H2,1-4H3,(H,45,53)(H,46,51)(H,47,50)(H,48,52)(H,49,54)/t31?,33?,35?,36-,38-/m0/s1" . "CCN(c1ccc(cc1)CC(=O)NCCCn1c(C)cc2c1cccc2)CC" . "CCN(c1ccc(cc1)CC(=O)NCCCn1c(C)cc2c1cccc2)CC" . "NBHMEDLJHJCMEZ-UHFFFAOYSA-N" . "InChI=1S/C24H31N3O/c1-4-26(5-2)22-13-11-20(12-14-22)18-24(28)25-15-8-16-27-19(3)17-21-9-6-7-10-23(21)27/h6-7,9-14,17H,4-5,8,15-16,18H2,1-3H3,(H,25,28)" . "Ic1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)O" . "Ic1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)O" . "XXZKJJYWINSUMJ-UHFFFAOYSA-N" . "InChI=1S/C15H9IO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H" . "COc1cc(N=Nc2ccccn2)ccc1NC(=O)c1ccccc1Cl" . "COc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl" . "JJRNGNCTPCWXGM-WCWDXBQESA-N" . "InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+" . "ON=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)C" . "O/N=C/1/CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCCC(C)C)C)C)C" . "QNTASHOAVRSLMD-FCARAQADSA-N" . "InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1" . "NC(=O)CCC(C(=O)O)N" . "NC(=O)CC[C@@H](C(=O)O)N" . "ZDXPYRJPNDTMRX-VKHMYHEASA-N" . "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" . "COCc1cccc(c1)CC(C=CC1C(O)CC(=O)C1CCSCCCC(=O)O)O" . "COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O" . "ORSJUPRAHPZYRL-XHTUOEPPSA-N" . "InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1" . "OC(=O)C(=O)C=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C" . "OC(=O)C(=O)/C=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C" . "XIQDGAUDNMVMCD-BQYQJAHWSA-N" . "InChI=1S/C18H24O4/c1-17(2,3)12-9-11(7-8-14(19)16(21)22)10-13(15(12)20)18(4,5)6/h7-10,20H,1-6H3,(H,21,22)/b8-7+" . "COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O" . "COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O" . "MDVYCLAYSVNYDS-UHFFFAOYSA-N" . "InChI=1S/C27H24N2O5/c1-33-23-10-8-22(9-11-23)25(30)29-15-14-27(17-29,26(31)32)18-34-24-12-6-21(7-13-24)20-4-2-19(16-28)3-5-20/h2-13H,14-15,17-18H2,1H3,(H,31,32)" . "OC(=O)Cc1cccc2c1cc(n2C(=O)c1ccc(cc1)OCC1CN(C)c2c(O1)ccc(c2)C)C" . "OC(=O)Cc1cccc2c1cc(n2C(=O)c1ccc(cc1)OC[C@@H]1CN(C)c2c(O1)ccc(c2)C)C" . "PDLHJVXUGHZZQP-QHCPKHFHSA-N" . "InChI=1S/C29H28N2O5/c1-18-7-12-27-26(13-18)30(3)16-23(36-27)17-35-22-10-8-20(9-11-22)29(34)31-19(2)14-24-21(15-28(32)33)5-4-6-25(24)31/h4-14,23H,15-17H2,1-3H3,(H,32,33)/t23-/m0/s1" . "CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C" . "CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C" . "DRMVDBATNZBNEB-UHFFFAOYSA-N" . "InChI=1S/C25H30ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15,21H,9-14,16-17H2,1-2H3" . "COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O" . "COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O" . "WUADCCWRTIWANL-UHFFFAOYSA-N" . "InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3" . "Fc1cc(cc(c1)F)NC(c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C" . "Fc1cc(cc(c1)F)N[C@@H](c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C" . "LMJFJIDLEAWOQJ-CQSZACIVSA-N" . "InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1" . "OC(=O)CC1N(CCNc2c1ccc(n2)C(F)(F)F)C(=O)Cc1cccc(c1)Oc1ccc(nc1)C" . "OC(=O)C[C@H]1N(CCNc2c1ccc(n2)C(F)(F)F)C(=O)Cc1cccc(c1)Oc1ccc(nc1)C" . "PPSMYAUEJRADFE-HXUWFJFHSA-N" . "InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1" . "CC(CCOc1cccc(c1)CC(=O)N1CCNc2c(C1CC(=O)O)ccc(n2)C(F)(F)F)C" . "CC(CCOc1cccc(c1)CC(=O)N1CCNc2c([C@H]1CC(=O)O)ccc(n2)C(F)(F)F)C" . "DFAPMGLBHDJMNX-LJQANCHMSA-N" . "InChI=1S/C24H28F3N3O4/c1-15(2)8-11-34-17-5-3-4-16(12-17)13-21(31)30-10-9-28-23-18(19(30)14-22(32)33)6-7-20(29-23)24(25,26)27/h3-7,12,15,19H,8-11,13-14H2,1-2H3,(H,28,29)(H,32,33)/t19-/m1/s1" . "CSCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1c[nH]cn1)CC(C)C)NC(=O)C(CS)N " . "CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "XXKPNJFJXZBRMX-HDKAIKTRSA-N" . "InChI=1S/C58H90N16O13S2/c1-32(2)25-39(68-52(81)43-16-10-21-72(43)54(83)38(19-24-89-5)66-47(76)36(59)30-88)49(78)67-40(27-35-28-62-31-64-35)50(79)70-42(29-75)51(80)65-37(15-9-20-63-58(60)61)48(77)71-46(33(3)4)56(85)73-22-11-17-44(73)53(82)69-41(26-34-13-7-6-8-14-34)55(84)74-23-12-18-45(74)57(86)87/h6-8,13-14,28,31-33,36-46,75,88H,9-12,15-27,29-30,59H2,1-5H3,(H,62,64)(H,65,80)(H,66,76)(H,67,78)(H,68,81)(H,69,82)(H,70,79)(H,71,77)(H,86,87)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1nc[nH]c1)CC(C)C)CCSC)CS)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CC(C)C)CS)CC(=O)N)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(CC(C)C)N)CCCN=C(N)N " . "CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "TXSAAXFWNUKYQL-FMGZCOAKSA-N" . "InChI=1S/C112H186N40O25S3/c1-58(2)44-65(114)88(156)133-67(25-15-36-127-109(117)118)89(157)134-66(24-13-14-35-113)91(159)141-75(48-63-51-125-56-131-63)97(165)143-77(50-86(116)155)99(167)148-81(55-179)102(170)140-73(45-59(3)4)95(163)138-71(32-33-85(115)154)93(161)136-68(26-16-37-128-110(119)120)90(158)135-69(27-17-38-129-111(121)122)92(160)147-80(54-178)101(169)139-72(34-43-180-9)105(173)150-40-19-29-82(150)103(171)144-74(46-60(5)6)96(164)142-76(49-64-52-126-57-132-64)98(166)146-79(53-153)100(168)137-70(28-18-39-130-112(123)124)94(162)149-87(61(7)8)107(175)151-41-20-30-83(151)104(172)145-78(47-62-22-11-10-12-23-62)106(174)152-42-21-31-84(152)108(176)177/h10-12,22-23,51-52,56-61,65-84,87,153,178-179H,13-21,24-50,53-55,113-114H2,1-9H3,(H2,115,154)(H2,116,155)(H,125,131)(H,126,132)(H,133,156)(H,134,157)(H,135,158)(H,136,161)(H,137,168)(H,138,163)(H,139,169)(H,140,170)(H,141,159)(H,142,164)(H,143,165)(H,144,171)(H,145,172)(H,146,166)(H,147,160)(H,148,167)(H,149,162)(H,176,177)(H4,117,118,127)(H4,119,120,128)(H4,121,122,129)(H4,123,124,130)/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1nc[nH]c1)CC(C)C)CCSC)CS)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CC(C)C)CS)CC(=O)N)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC(=O)N)N)CCCN=C(N)N)CC(=O)N)CC(C)C)CCSC)CCCN=C(N)N)CCCN=C(N)N)CCCCN)CC(C)C)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1nc[nH]c1)CC(C)C)CCSC)CS)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CC(C)C)CS)CC(=O)N)Cc1nc[nH]c1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)CC(=O)N)CC(C)C)CCSC)CCCN=C(N)N)CCCN=C(N)N)CCCCN)CC(C)C)CCCN=C(N)N" . "AXGBCVTUKUUUPN-PXWSXZDTSA-N" . "InChI=1S/C170H291N63O39S4/c1-86(2)70-109(215-137(245)97(36-19-21-55-171)203-133(241)99(38-23-57-194-164(178)179)205-135(243)101(40-25-59-196-166(182)183)208-141(249)106(53-68-275-14)212-158(266)131(92(13)235)229-150(258)112(73-89(7)8)216-148(256)116(78-128(177)239)222-157(265)129(90(9)10)227-156(264)123-47-31-65-231(123)159(267)107(44-29-63-200-170(190)191)213-132(240)96(173)49-51-125(174)236)143(251)209-102(41-26-60-197-167(184)185)136(244)204-98(37-20-22-56-172)138(246)218-113(75-94-79-192-84-201-94)146(254)220-115(77-127(176)238)149(257)226-120(83-274)153(261)217-110(71-87(3)4)144(252)211-105(50-52-126(175)237)140(248)207-100(39-24-58-195-165(180)181)134(242)206-103(42-27-61-198-168(186)187)139(247)225-119(82-273)152(260)214-108(54-69-276-15)160(268)230-64-30-45-121(230)154(262)221-111(72-88(5)6)145(253)219-114(76-95-80-193-85-202-95)147(255)224-118(81-234)151(259)210-104(43-28-62-199-169(188)189)142(250)228-130(91(11)12)162(270)232-66-32-46-122(232)155(263)223-117(74-93-34-17-16-18-35-93)161(269)233-67-33-48-124(233)163(271)272/h16-18,34-35,79-80,84-92,96-124,129-131,234-235,273-274H,19-33,36-78,81-83,171-173H2,1-15H3,(H2,174,236)(H2,175,237)(H2,176,238)(H2,177,239)(H,192,201)(H,193,202)(H,203,241)(H,204,244)(H,205,243)(H,206,242)(H,207,248)(H,208,249)(H,209,251)(H,210,259)(H,211,252)(H,212,266)(H,213,240)(H,214,260)(H,215,245)(H,216,256)(H,217,261)(H,218,246)(H,219,253)(H,220,254)(H,221,262)(H,222,265)(H,223,263)(H,224,255)(H,225,247)(H,226,257)(H,227,264)(H,228,250)(H,229,258)(H,271,272)(H4,178,179,194)(H4,180,181,195)(H4,182,183,196)(H4,184,185,197)(H4,186,187,198)(H4,188,189,199)(H4,190,191,200)/t92-,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,129+,130+,131+/m1/s1" . "NCCCCC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CSSCC(N)C(=O)NC(CCCNC(=N)N)C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CCCNC(=N)N)CCC2" . "NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCCNC(=N)N)CCC2" . "RKFGCZWTURNFPN-SVENNQHVSA-N" . "InChI=1S/C67H106N22O14S3/c1-38(2)30-46-57(94)86-49(36-106-105-35-41(69)54(91)81-44(18-10-25-76-67(72)73)63(100)88-27-12-20-51(88)61(98)80-43(56(93)83-46)17-9-24-75-66(70)71)59(96)84-47(32-40-33-74-37-78-40)58(95)79-42(16-7-8-23-68)55(92)77-34-53(90)87-26-11-19-50(87)60(97)82-45(22-29-104-3)64(101)89-28-13-21-52(89)62(99)85-48(65(102)103)31-39-14-5-4-6-15-39/h4-6,14-15,33,37-38,41-52H,7-13,16-32,34-36,68-69H2,1-3H3,(H,74,78)(H,77,92)(H,79,95)(H,80,98)(H,81,91)(H,82,97)(H,83,93)(H,84,96)(H,85,99)(H,86,94)(H,102,103)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1" . "CNC(=O)c1ccc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl" . "CNC(=O)c1ccc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl" . "HPIUHDCRVYDAEJ-UHFFFAOYSA-N" . "InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)" . "Clc1cccc(c1)c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1" . "Clc1cccc(c1)c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1" . "FNHAFYQTHUKPIU-UHFFFAOYSA-N" . "InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2" . "COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)Br" . "COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)Br" . "IRCKZEUJNJUYCC-UHFFFAOYSA-N" . "InChI=1S/C21H24BrN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)" . "COc1ccc(cc1)C=C(C(=O)NCc1cccnc1)NC(=O)c1ccccc1" . "COc1ccc(cc1)/C=C(/C(=O)NCc1cccnc1)/NC(=O)c1ccccc1" . "KKDANILRTKQMGA-STZFKDTASA-N" . "InChI=1S/C23H21N3O3/c1-29-20-11-9-17(10-12-20)14-21(26-22(27)19-7-3-2-4-8-19)23(28)25-16-18-6-5-13-24-15-18/h2-15H,16H2,1H3,(H,25,28)(H,26,27)/b21-14-" . "O=C(C(=Cc1ccco1)NC(=O)c1ccccc1)NCc1cccnc1" . "O=C(/C(=C/c1ccco1)/NC(=O)c1ccccc1)NCc1cccnc1" . "ANTQNDKESCDJPE-PDGQHHTCSA-N" . "InChI=1S/C20H17N3O3/c24-19(16-7-2-1-3-8-16)23-18(12-17-9-5-11-26-17)20(25)22-14-15-6-4-10-21-13-15/h1-13H,14H2,(H,22,25)(H,23,24)/b18-12-" . "CN1CCN(CC1)C(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]" . "CN1CCN(CC1)C(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]" . "BLSWPPPBUQFKHH-UHFFFAOYSA-N" . "InChI=1S/C20H20N4O3/c1-22-9-11-23(12-10-22)20(25)19-18(14-5-3-2-4-6-14)16-13-15(24(26)27)7-8-17(16)21-19/h2-8,13,21H,9-12H2,1H3" . "CCCCCCCCCCCCCC(=O)NCCO" . "CCCCCCCCCCCCCC(=O)NCCO" . "JHIXEZNTXMFXEK-UHFFFAOYSA-N" . "InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)" . "CC(CC(=O)Oc1cccc(c1)CC(=O)N1CCNc2c(C1CC(=O)O)ccc(n2)C(F)(F)F)C" . "CC(CC(=O)Oc1cccc(c1)CC(=O)N1CCNc2c([C@H]1CC(=O)O)ccc(n2)C(F)(F)F)C" . "CJLZUKCACMUYFP-GOSISDBHSA-N" . "InChI=1S/C24H26F3N3O5/c1-14(2)10-22(34)35-16-5-3-4-15(11-16)12-20(31)30-9-8-28-23-17(18(30)13-21(32)33)6-7-19(29-23)24(25,26)27/h3-7,11,14,18H,8-10,12-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1" . "OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1" . "OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1" . "OENIXTHWZWFYIV-UHFFFAOYSA-N" . "InChI=1S/C24H26N2O2/c27-24(28)22-8-4-3-7-21(22)19-12-9-17(10-13-19)11-14-23-25-16-20(26-23)15-18-5-1-2-6-18/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28)" . "COc1ccc(cc1)C1(CCCCC1)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Nc1ccc(cc1)[N+](=O)[O-]" . "COc1ccc(cc1)C1(CCCCC1)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1ccc(cc1)[N+](=O)[O-]" . "JOKVJNCYOSFDGC-LJAQVGFWSA-N" . "InChI=1S/C32H35N5O5/c1-42-26-15-9-23(10-16-26)32(17-5-2-6-18-32)21-34-30(38)29(19-22-20-33-28-8-4-3-7-27(22)28)36-31(39)35-24-11-13-25(14-12-24)37(40)41/h3-4,7-16,20,29,33H,2,5-6,17-19,21H2,1H3,(H,34,38)(H2,35,36,39)/t29-/m0/s1" . "CCC(Cc1c[nH]c(n1)CCc1ccc(cc1)c1ccccc1C(=O)O)(C)C" . "CCC(Cc1c[nH]c(n1)CCc1ccc(cc1)c1ccccc1C(=O)O)(C)C" . "AXHVEQQLKVIZLO-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)" . "Cc1c(C)ccc2c1N(Cc1c(N2)nc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C" . "Cc1c(C)ccc2c1N(Cc1c(N2)nc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C" . "OAIVSBLLDFJYMS-UHFFFAOYSA-N" . "InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)" . "OC(=O)C(C(c1ccc(c(c1)O)O)O)N" . "OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N" . "QXWYKJLNLSIPIN-JGVFFNPUSA-N" . "InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1" . "FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F" . "FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F" . "WQQNCCUPGPFWOI-UHFFFAOYSA-N" . "InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)" . "Fc1ccc(cc1)NC(=O)c1ccc(nc1)SCc1ccccc1B(O)O" . "Fc1ccc(cc1)NC(=O)c1ccc(nc1)SCc1ccccc1B(O)O" . "VZRIHFZJVIOJBE-UHFFFAOYSA-N" . "InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)" . "O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)C1CCCNC1)Cl" . "O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)[C@H]1CCCNC1)Cl" . "NGYNBSHYFOFVLS-LBPRGKRZSA-N" . "InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1" . "O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl" . "O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl" . "YQYFEGTYCUQBEI-UHFFFAOYSA-N" . "InChI=1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)" . "CC(Cc1ccc(cc1)C(C(=O)NS(=O)(=O)C)C)C" . "CC(Cc1ccc(cc1)[C@H](C(=O)NS(=O)(=O)C)C)C" . "KQDRVXQXKZXMHP-LLVKDONJSA-N" . "InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1" . "CCC(c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C" . "CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C" . "RXIUEIPPLAFSDF-CYBMUJFWSA-N" . "InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1" . "Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O" . "Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O" . "RJMUSRYZPJIFPJ-UHFFFAOYSA-N" . "InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)" . "OC(=O)CC(C1=CC(=c2[nH]c3c([nH]2)ccc(c3)C(=N)N)C(=O)C(=C1)c1cccc(c1)C(=O)N)C(=O)O" . "OC(=O)CC(C1=C/C(=c/2/[nH]c3c([nH]2)ccc(c3)C(=N)N)/C(=O)C(=C1)c1cccc(c1)C(=O)N)C(=O)O" . "WFPGMUDIBWJJND-JJIBRWJFSA-N" . "InChI=1S/C25H21N5O6/c26-22(27)12-4-5-18-19(9-12)30-24(29-18)17-8-14(16(25(35)36)10-20(31)32)7-15(21(17)33)11-2-1-3-13(6-11)23(28)34/h1-9,16,29-30H,10H2,(H3,26,27)(H2,28,34)(H,31,32)(H,35,36)/b24-17+" . "Nc1nc2c(o1)c1ccccc1c(c2)C" . "Nc1nc2c(o1)c1ccccc1c(c2)C" . "JEGUERWMMMQFJV-UHFFFAOYSA-N" . "InChI=1S/C12H10N2O/c1-7-6-10-11(15-12(13)14-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)" . "N#Cc1c(=O)[nH]c(c2c1CCC2)CC(C)C" . "N#Cc1c(=O)[nH]c(c2c1CCC2)CC(C)C" . "QOUMCRXJXXVERM-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O/c1-8(2)6-12-10-5-3-4-9(10)11(7-14)13(16)15-12/h8H,3-6H2,1-2H3,(H,15,16)" . "Nc1ccnc(=O)[nH]1" . "Nc1ccnc(=O)[nH]1" . "OPTASPLRGRRNAP-UHFFFAOYSA-N" . "InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)" . "NOCC(=O)O" . "NOCC(=O)O" . "NQRKYASMKDDGHT-UHFFFAOYSA-N" . "InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)" . "CCN1CCCC1C(=O)NC(C(=O)NCc1ccc(nc1)N)Cc1ccc(c(c1)F)F" . "CCN1CCC[C@@H]1C(=O)N[C@H](C(=O)NCc1ccc(nc1)N)Cc1ccc(c(c1)F)F" . "ALLYUHIQZKTLFG-RBUKOAKNSA-N" . "InChI=1S/C22H27F2N5O2/c1-2-29-9-3-4-19(29)22(31)28-18(11-14-5-7-16(23)17(24)10-14)21(30)27-13-15-6-8-20(25)26-12-15/h5-8,10,12,18-19H,2-4,9,11,13H2,1H3,(H2,25,26)(H,27,30)(H,28,31)/t18-,19+/m0/s1" . "Cc1ccc(cc1)C(=O)n1nc(nc1N)c1cccnc1" . "Cc1ccc(cc1)C(=O)n1nc(nc1N)c1cccnc1" . "BIEYFOHSWAIQDF-UHFFFAOYSA-N" . "InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)" . "NCCCCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCNC(=O)CCCN(C(=O)C(NC(=O)C(NC1=O)C(O)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCNC(=O)CCCN(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2" . "ABFNTRQPWNXUHA-VEVJRHMJSA-N" . "InChI=1S/C60H74N12O10/c1-37(73)54-59(81)70-50(31-39-18-6-3-7-19-39)60(82)72(36-51(62)74)29-15-26-52(75)63-28-14-25-53(76)66-47(30-38-16-4-2-5-17-38)56(78)68-49(33-41-35-65-45-23-11-9-21-43(41)45)58(80)69-48(32-40-34-64-44-22-10-8-20-42(40)44)57(79)67-46(55(77)71-54)24-12-13-27-61/h2-11,16-23,34-35,37,46-50,54,64-65,73H,12-15,24-33,36,61H2,1H3,(H2,62,74)(H,63,75)(H,66,76)(H,67,79)(H,68,78)(H,69,80)(H,70,81)(H,71,77)/t37-,46+,47+,48-,49+,50+,54+/m1/s1" . "CCN1CCN(CC1)C(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccc(cc1)C(=O)Nc1ccccc1Cl)F" . "CCN1CCN(CC1)C(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccc(cc1)C(=O)Nc1ccccc1Cl)F" . "AKSIZPIFQAYJGF-UHFFFAOYSA-N" . "InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)" . "CCCCC(C(=O)NC(B(O)O)CCCBr)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCCCCN)CO)CCC(=O)N" . "CCCC[C@@H](C(=O)N[C@@H](B(O)O)CCCBr)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)CO)CCC(=O)N" . "AKGOAAVLALZKCN-JSLVBRCRSA-N" . "InChI=1S/C33H55BBrN7O9/c1-2-3-13-23(31(47)42-27(34(50)51)14-10-18-35)39-30(46)24(16-17-28(37)44)40-33(49)26(21-43)41-32(48)25(20-22-11-6-4-7-12-22)38-29(45)15-8-5-9-19-36/h4,6-7,11-12,23-27,43,50-51H,2-3,5,8-10,13-21,36H2,1H3,(H2,37,44)(H,38,45)(H,39,46)(H,40,49)(H,41,48)(H,42,47)/t23-,24-,25-,26-,27+/m0/s1" . "OCC1OC(C(C1O)O)n1c(NCc2ccc(cc2)c2ccccc2)nc2c1ncnc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(NCc2ccc(cc2)c2ccccc2)nc2c1ncnc2N" . "YJLIKUSWRSEPSM-WGQQHEPDSA-N" . "InChI=1S/C23H24N6O4/c24-20-17-21(27-12-26-20)29(22-19(32)18(31)16(11-30)33-22)23(28-17)25-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12,16,18-19,22,30-32H,10-11H2,(H,25,28)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1" . "BrCc1ccc2c(c1)cc(c(=O)o2)C(=O)Oc1cccc(c1)Cl" . "BrCc1ccc2c(c1)cc(c(=O)o2)C(=O)Oc1cccc(c1)Cl" . "RNWNTBMGGUARMR-UHFFFAOYSA-N" . "InChI=1S/C17H10BrClO4/c18-9-10-4-5-15-11(6-10)7-14(17(21)23-15)16(20)22-13-3-1-2-12(19)8-13/h1-8H,9H2" . "CC[n+]1c(ccc2c1cccc2)C=c1ccc2c(n1CC)cccc2" . "CC[n+]1c(ccc2c1cccc2)C=c1ccc2c(n1CC)cccc2" . "AGJZCWVTGOVGBS-UHFFFAOYSA-N" . "InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1" . "COc1cc(cc(c1OC)OC)c1cc(cnc1C)c1ccc(cc1)N1CCNCC1" . "COc1cc(cc(c1OC)OC)c1cc(cnc1C)c1ccc(cc1)N1CCNCC1" . "BHUXVRVMMYAXKN-UHFFFAOYSA-N" . "InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3" . "OC(=O)CCCc1ccccc1" . "OC(=O)CCCc1ccccc1" . "OBKXEAXTFZPCHS-UHFFFAOYSA-N" . "InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)" . "CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)c1cnc(c(n1)C(=O)Nc1cccnc1)N" . "CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)c1cnc(c(n1)C(=O)Nc1cccnc1)N" . "FHCSBLWRGCOVPT-UHFFFAOYSA-N" . "InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)" . "CC1COCCN1c1cc(nc(n1)c1cccc2c1cc[nH]2)C1(CC1)S(=O)(=O)C" . "C[C@@H]1COCCN1c1cc(nc(n1)c1cccc2c1cc[nH]2)C1(CC1)S(=O)(=O)C" . "SCGCBAAYLFTIJU-CQSZACIVSA-N" . "InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1" . "N#Cc1cc(F)c(nc1NC(c1ccc(cc1)F)C)Nc1n[nH]c(c1)C" . "N#Cc1cc(F)c(nc1N[C@H](c1ccc(cc1)F)C)Nc1n[nH]c(c1)C" . "SUNXHXDJOIXABJ-NSHDSACASA-N" . "InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1" . "N#CC(c1cccc(c1)C(=O)Nc1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)(C)C" . "N#CC(c1cccc(c1)C(=O)Nc1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)(C)C" . "ZGBGPEDJXCYQPH-UHFFFAOYSA-N" . "InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)" . "OCCONC(=O)c1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C" . "OCCONC(=O)c1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C" . "RWEVIPRMPFNTLO-UHFFFAOYSA-N" . "InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)" . "NNC(=N)N" . "NNC(=N)N" . "HAMNKKUPIHEESI-UHFFFAOYSA-N" . "InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)" . "COC1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2" . "COC1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2" . "HYNBNUYQTQIHJK-UHFFFAOYSA-N" . "InChI=1S/C22H22FN3O3/c1-29-15-8-10-26(11-9-15)22(28)18-12-14(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(27)25-24-20/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)" . "CCCCCn1c(=O)[nH]c(=O)c2c1nc([nH]2)Cl" . "CCCCCn1c(=O)[nH]c(=O)c2c1nc([nH]2)Cl" . "CGAMDQCXAAOFSR-UHFFFAOYSA-N" . "InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)" . "O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O" . "O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O" . "ARJKMWXLIHZLQZ-UHFFFAOYSA-N" . "InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)" . "O=C(NC(c1ccccc1)C)CCc1nc(=O)c2c([nH]1)cccc2" . "O=C(N[C@H](c1ccccc1)C)CCc1nc(=O)c2c([nH]1)cccc2" . "QIHBWVVVRYYYRO-ZDUSSCGKSA-N" . "InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1" . "CC1CCC(CC1)C(=O)Nc1nc(c(s1)CC(=O)N1CCN(CC1)C)c1cccs1" . "C[C@@H]1CC[C@H](CC1)C(=O)Nc1nc(c(s1)CC(=O)N1CCN(CC1)C)c1cccs1" . "ZLQAEANISSHOLB-WKILWMFISA-N" . "InChI=1S/C22H30N4O2S2/c1-15-5-7-16(8-6-15)21(28)24-22-23-20(17-4-3-13-29-17)18(30-22)14-19(27)26-11-9-25(2)10-12-26/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,23,24,28)/t15-,16-" . "N#Cc1ccc(nc1)N1CCN(CC1C)c1nnc(c2c1cc(Cl)cc2)Cc1ccccc1" . "N#Cc1ccc(nc1)N1CCN(C[C@H]1C)c1nnc(c2c1cc(Cl)cc2)Cc1ccccc1" . "XUZUIICAPXZZDU-GOSISDBHSA-N" . "InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1" . "ONC(=O)CCCOc1ccc(cc1C)Cl" . "ONC(=O)CCCOc1ccc(cc1C)Cl" . "JHSXDAWGLCZYSM-UHFFFAOYSA-N" . "InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)" . "CCOC(=O)NC(=N)c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(c1ccc(cc1)O)(C)C" . "CCOC(=O)NC(=N)c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(c1ccc(cc1)O)(C)C" . "SBVYURPQULDJTI-UHFFFAOYSA-N" . "InChI=1S/C33H34N2O5/c1-4-38-32(37)35-31(34)25-8-16-29(17-9-25)39-21-23-6-5-7-24(20-23)22-40-30-18-12-27(13-19-30)33(2,3)26-10-14-28(36)15-11-26/h5-20,36H,4,21-22H2,1-3H3,(H2,34,35,37)" . "OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl" . "OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl" . "WWHGFIXWBLHHQB-UHFFFAOYSA-N" . "InChI=1S/C21H26N2O2.ClH/c22-21(23-13-7-2-8-14-23)15-18(24)16-25-20-12-6-5-11-19(20)17-9-3-1-4-10-17;/h1,3-6,9-12,18,22,24H,2,7-8,13-16H2;1H" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C" . "ZZMFJJDBKSYGRM-UHFFFAOYSA-N" . "InChI=1S/C26H33N5O5/c1-16(2)17-7-6-8-20(33-3)24(17)36-15-23(32)30-9-11-31(12-10-30)26-28-19-14-22(35-5)21(34-4)13-18(19)25(27)29-26/h6-8,13-14,16H,9-12,15H2,1-5H3,(H2,27,28,29)" . "O=c1n([nH]cc1n1ccnn1)c1ncnc(c1)N1CCOCC1" . "O=c1n([nH]cc1n1ccnn1)c1ncnc(c1)N1CCOCC1" . "IJMBOKOTALXLKS-UHFFFAOYSA-N" . "InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2" . "Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O" . "Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O" . "ZQSIJRDFPHDXIC-UHFFFAOYSA-N" . "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H" . "OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C1=O)C1CCCCC1" . "OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C1=O)C1CCCCC1" . "RUEYEZADQJCKGV-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)" . "OC(=O)CNC(=O)c1nc(C)c2c(c1O)ccc(c2)Oc1ccccc1" . "OC(=O)CNC(=O)c1nc(C)c2c(c1O)ccc(c2)Oc1ccccc1" . "YOZBGTLTNGAVFU-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)" . "OB(C(NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)CC(C)C)O" . "OB([C@@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)CC(C)C)O" . "MXAYKZJJDUDWDS-LBPRGKRZSA-N" . "InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1" . "OC1CC2CC1CC2Nc1ncnc2c1nc(n2C)N(C(C)C)C" . "OC1CC2CC1C[C@H]2Nc1ncnc2c1nc(n2C)N(C(C)C)C" . "FTVZUYADPTUEKI-AYNROABZSA-N" . "InChI=1S/C17H26N6O/c1-9(2)22(3)17-21-14-15(18-8-19-16(14)23(17)4)20-12-6-11-5-10(12)7-13(11)24/h8-13,24H,5-7H2,1-4H3,(H,18,19,20)/t10?,11?,12-,13?/m1/s1" . "O=C(NCCOCCOCCNS(=O)(=O)c1cccc(c1)C1CN(C)Cc2c1cc(Cl)cc2Cl)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(c1)C1CN(C)Cc2c1cc(Cl)cc2Cl" . "O=C(NCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c1cc(Cl)cc2Cl)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c1cc(Cl)cc2Cl" . "DNHPDWGIXIMXSA-CXNSMIOJSA-N" . "InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1" . "CCCCC1=NC2(C(=O)N1Cc1ccc(c(c1)COCC)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)CCCC2" . "CCCCC1=NC2(C(=O)N1Cc1ccc(c(c1)COCC)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)CCCC2" . "WRFHGDPIDHPWIQ-UHFFFAOYSA-N" . "InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)" . "OC1C(COP(=O)(OP(=O)(O)O)[B-])OC(C1O)n1cnc2c1nc(Cl)nc2N" . "O[C@@H]1[C@@H](CO[P@@](=O)(OP(=O)(O)O)[B-])O[C@H]([C@@H]1O)n1cnc2c1nc(Cl)nc2N" . "XLTJNJOUVKOQCW-MWZJDIDNSA-N" . "InChI=1S/C10H13BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,(H2,13,15,16)(H2,21,22,23)/q-1/t3-,5-,6-,9-,27-/m1/s1" . "COC1C(CCC2(C1C1(C)OC1CC=C(C)C)CO2)OC(=O)C=Cc1ccc(cc1)OCCN(C)C" . "CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)/C=C/c1ccc(cc1)OCCN(C)C" . "ZEZFKUBILQRZCK-MJSCXXSSSA-N" . "InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1" . "Clc1ccc2c(c1)c(c[nH]2)C1N2C(=O)CN(C(=O)C2Cc2c1cc1OCOc1c2)C" . "Clc1ccc2c(c1)c(c[nH]2)[C@H]1N2C(=O)CN(C(=O)[C@@H]2Cc2c1cc1OCOc1c2)C" . "FSEZESVJDPKRDS-UWJYYQICSA-N" . "InChI=1S/C22H18ClN3O4/c1-25-9-20(27)26-17(22(25)28)4-11-5-18-19(30-10-29-18)7-13(11)21(26)15-8-24-16-3-2-12(23)6-14(15)16/h2-3,5-8,17,21,24H,4,9-10H2,1H3/t17-,21-/m0/s1" . "CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O" . "CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O" . "JXMYTVOBSFOHAF-UHFFFAOYSA-N" . "InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3" . "COC(=O)CCC1N=C(c2ccccn2)c2c(n3c1nc(c3)C)ccc(c2)Br" . "COC(=O)CC[C@@H]1N=C(c2ccccn2)c2c(n3c1nc(c3)C)ccc(c2)Br" . "GHUYIIGPWBMOGY-KRWDZBQOSA-N" . "InChI=1S/C21H19BrN4O2/c1-13-12-26-18-8-6-14(22)11-15(18)20(16-5-3-4-10-23-16)25-17(21(26)24-13)7-9-19(27)28-2/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1" . "Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2" . "Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2" . "SAQMCVDGOIRQTC-UHFFFAOYSA-N" . "InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)" . "Clc1ccc(cc1)CN1CCOC(C1)CCc1ccccc1" . "Clc1ccc(cc1)CN1CCO[C@@H](C1)CCc1ccccc1" . "CVKXGRRJHJHUFY-LJQANCHMSA-N" . "InChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2/t19-/m1/s1" . "Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]" . "Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]" . "PUMMPCXNEPHBNN-UHFFFAOYSA-N" . "InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)" . "CCCCNC(=O)c1cc(N)ccc1Oc1ccc(cc1)OCC" . "CCCCNC(=O)c1cc(N)ccc1Oc1ccc(cc1)OCC" . "RDHPPQMUBJSJFR-UHFFFAOYSA-N" . "InChI=1S/C19H24N2O3/c1-3-5-12-21-19(22)17-13-14(20)6-11-18(17)24-16-9-7-15(8-10-16)23-4-2/h6-11,13H,3-5,12,20H2,1-2H3,(H,21,22)" . "O=C(c1cccc(c1)NCc1nnc(n1C)c1ccncc1)NCc1ccccc1C(F)(F)F" . "O=C(c1cccc(c1)NCc1nnc(n1C)c1ccncc1)NCc1ccccc1C(F)(F)F" . "WFOVEDJTASPCIR-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)" . "N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1" . "N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1" . "BQEDZLDNNBDKDS-UHFFFAOYSA-N" . "InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)" . "CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2" . "CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2" . "JNBBJUHCODFLEG-UHFFFAOYSA-N" . "InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)" . "CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O" . "CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O" . "AVOLMBLBETYQHX-UHFFFAOYSA-N" . "InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)" . "O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1" . "O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1" . "NMZIDFFHGCRAJV-UHFFFAOYSA-N" . "InChI=1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)" . "CN(C1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C" . "CN([C@H]1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C" . "BTTOYOKCLDAHHO-HNNXBMFYSA-N" . "InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1" . "Clc1ccc(cc1)c1nn(c2c1CCNCC2)Cc1ccccc1" . "Clc1ccc(cc1)c1nn(c2c1CCNCC2)Cc1ccccc1" . "UKJPMZGILXATGT-UHFFFAOYSA-N" . "InChI=1S/C20H20ClN3/c21-17-8-6-16(7-9-17)20-18-10-12-22-13-11-19(18)24(23-20)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2" . "O=C1Nc2c3C1(CCCCN1CCC(=CC1)c1ccccc1)CCCc3ccc2" . "O=C1Nc2c3C1(CCCCN1CCC(=CC1)c1ccccc1)CCCc3ccc2" . "JBQOYPLKTTXLSQ-UHFFFAOYSA-N" . "InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)" . "CN1CCN(CC1)c1cccc2c1ncc(c2)S(=O)(=O)c1cccc(c1)F" . "[11CH3]N1CCN(CC1)c1cccc2c1ncc(c2)S(=O)(=O)c1cccc(c1)F" . "PXVJEDOZGDZJQY-BJUDXGSMSA-N" . "InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3/i1-1" . "CN(CCn1cc(c2c1nccc2)S(=O)(=O)c1cccc(c1)F)C" . "CN(CCn1cc(c2c1nccc2)S(=O)(=O)c1cccc(c1)F)C" . "SFSFIDVAEMDPIP-UHFFFAOYSA-N" . "InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3" . "COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CCC(c1ccc(cc1)F)OC(=O)N)Cl" . "COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl" . "KGMMSPVVHZGPHL-NRFANRHFSA-N" . "InChI=1S/C24H30ClFN4O4/c1-33-22-13-20(27)19(25)12-18(22)23(31)29-14-15-6-9-30(10-7-15)11-8-21(34-24(28)32)16-2-4-17(26)5-3-16/h2-5,12-13,15,21H,6-11,14,27H2,1H3,(H2,28,32)(H,29,31)/t21-/m0/s1" . "COC(=O)N1CCC(CC1)CN1CCC(CC1)CNC(=O)c1cccc2c1nc([nH]2)C(C)C" . "COC(=O)N1CCC(CC1)CN1CCC(CC1)CNC(=O)c1cccc2c1nc([nH]2)C(C)C" . "MZOITCJKGUIQEI-UHFFFAOYSA-N" . "InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)" . "OC(CN(S(=O)(=O)C)C)CN1C2CCC1CC(C2)NC(=O)c1cc2ccccc2n(c1=O)C(C)C" . "O[C@@H](CN(S(=O)(=O)C)C)CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)c1cc2ccccc2n(c1=O)C(C)C" . "HXLOHDZQBKCUCR-VTHDOGFWSA-N" . "InChI=1S/C25H36N4O5S/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31)/t18?,19-,20+,21-/m0/s1" . "CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1" . "CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1" . "ANZVBVKYXOGOQC-UHFFFAOYSA-N" . "InChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3" . "CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C" . "CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C" . "RKEWSXXUOLRFBX-UHFFFAOYSA-N" . "InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)" . "CCCC(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "CCCC(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "OQDBJMBOPCUBGS-UHFFFAOYSA-N" . "InChI=1S/C17H24N2O/c1-4-5-15(20)10-13-6-7-17-16(11-13)14(12-18-17)8-9-19(2)3/h6-7,11-12,18H,4-5,8-10H2,1-3H3" . "CNC(=O)C12CC1C(C(C2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl" . "CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl" . "LYLLLJJYBWLGHW-CIZVZKTGSA-N" . "InChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(nc2NCC(c1ccccc1)c1ccccc1)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2NCC(c1ccccc1)c1ccccc1)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1" . "ZOTHAEBAWXWVID-HXEFRTELSA-N" . "InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1" . "OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(ccc1Cl)OC(F)(F)F" . "OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(ccc1Cl)OC(F)(F)F" . "WUJVPELCYCESAP-UHFFFAOYSA-N" . "InChI=1S/C19H23ClF3NO3/c20-15-2-1-14(27-19(21,22)23)12-16(15)24-9-7-18(8-10-24)5-3-13(4-6-18)11-17(25)26/h1-2,12-13H,3-11H2,(H,25,26)" . "OC(=O)CCCN(C(=O)C1(C)CCN1C(=O)c1csc2c1cccc2)Cc1cccc(c1)Cl" . "OC(=O)CCCN(C(=O)[C@@]1(C)CCN1C(=O)c1csc2c1cccc2)Cc1cccc(c1)Cl" . "MPMKMQHJHDHPBE-RUZDIDTESA-N" . "InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1" . "O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1" . "O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1" . "YNUAEEJQYHYLMS-UHFFFAOYSA-N" . "InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2" . "CCn1cc(c2cccc(c2)C(F)(F)F)c2c(c1=O)cc(s2)C(=N)NC1CCS(=O)(=O)CC1" . "CCn1cc(c2cccc(c2)C(F)(F)F)c2c(c1=O)cc(s2)C(=N)NC1CCS(=O)(=O)CC1" . "WRUWGLUCNBMGPS-UHFFFAOYSA-N" . "InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)" . "COc1ccc(cc1)Oc1cc2c(cc1NS(=O)(=O)c1ccc(c(c1)OC)OC)n(c(=O)n2C)C" . "COc1ccc(cc1)Oc1cc2c(cc1NS(=O)(=O)c1ccc(c(c1)OC)OC)n(c(=O)n2C)C" . "KNVIUMWNYXDULF-UHFFFAOYSA-N" . "InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3" . "CCNC(=O)NCCSCC1OC(C(C1O)O)n1cnc2c1ncnc2N" . "CCNC(=O)NCCSC[C@H]1OC([C@@H]([C@H]1O)O)n1cnc2c1ncnc2N" . "CACMCLIHCDTJHL-XLAISSFRSA-N" . "InChI=1S/C15H23N7O4S/c1-2-17-15(25)18-3-4-27-5-8-10(23)11(24)14(26-8)22-7-21-9-12(16)19-6-20-13(9)22/h6-8,10-11,14,23-24H,2-5H2,1H3,(H2,16,19,20)(H2,17,18,25)/t8-,10+,11-,14?/m1/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(C)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O " . "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "SSBRJDBGIVUNDK-QOGDCIHTSA-N" . "InChI=1S/C85H109N17O27S/c1-43(2)34-62(101-75(119)52(86)37-47-40-88-53-16-10-8-14-50(47)53)83(127)97-59(26-31-71(113)114)81(125)96-58(25-30-70(111)112)80(124)95-57(24-29-69(109)110)79(123)94-56(23-28-68(107)108)78(122)93-55(22-27-67(105)106)77(121)91-44(3)74(118)100-63(36-46-18-20-49(103)21-19-46)76(120)90-42-66(104)92-64(38-48-41-89-54-17-11-9-15-51(48)54)84(128)98-60(32-33-130-4)82(126)102-65(39-72(115)116)85(129)99-61(73(87)117)35-45-12-6-5-7-13-45/h5-21,40-41,43-44,52,55-65,88-89,103H,22-39,42,86H2,1-4H3,(H2,87,117)(H,90,120)(H,91,121)(H,92,104)(H,93,122)(H,94,123)(H,95,124)(H,96,125)(H,97,127)(H,98,128)(H,99,129)(H,100,118)(H,101,119)(H,102,126)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)/t44-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C1CCC(=O)N1)CC(C)C)CCC(=O)N)Cc1nc[nH]c1)CC(C)C)C)CC(=O)O)CO)CCCCN " . "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "DKONFPYEAKZHHO-JCVYGFDXSA-N" . "InChI=1S/C176H251N43O53S/c1-89(2)70-117(206-157(253)109-47-55-134(224)192-109)152(248)188-85-137(227)215-64-23-36-127(215)170(266)203-108(46-54-133(180)223)151(247)187-86-138(228)217-66-27-40-131(217)176(272)219-68-26-39-130(219)172(268)211-123(77-99-82-182-88-189-99)166(262)208-119(72-91(5)6)168(264)214-146(92(7)8)174(270)191-94(10)149(245)212-125(79-145(241)242)175(271)218-67-25-38-129(218)173(269)213-126(87-220)169(265)195-106(35-20-22-63-178)155(251)194-105(34-19-21-62-177)156(252)196-107(45-53-132(179)222)150(246)186-84-136(226)216-65-24-37-128(216)171(267)210-122(76-98-81-184-104-33-18-16-31-102(98)104)165(261)207-118(71-90(3)4)163(259)201-114(52-60-143(237)238)161(257)200-113(51-59-142(235)236)160(256)199-112(50-58-141(233)234)159(255)198-111(49-57-140(231)232)158(254)197-110(48-56-139(229)230)154(250)190-93(9)148(244)205-120(74-96-41-43-100(221)44-42-96)153(249)185-83-135(225)193-121(75-97-80-183-103-32-17-15-30-101(97)103)164(260)202-115(61-69-273-11)162(258)209-124(78-144(239)240)167(263)204-116(147(181)243)73-95-28-13-12-14-29-95/h12-18,28-33,41-44,80-82,88-94,105-131,146,183-184,220-221H,19-27,34-40,45-79,83-87,177-178H2,1-11H3,(H2,179,222)(H2,180,223)(H2,181,243)(H,182,189)(H,185,249)(H,186,246)(H,187,247)(H,188,248)(H,190,250)(H,191,270)(H,192,224)(H,193,225)(H,194,251)(H,195,265)(H,196,252)(H,197,254)(H,198,255)(H,199,256)(H,200,257)(H,201,259)(H,202,260)(H,203,266)(H,204,263)(H,205,244)(H,206,253)(H,207,261)(H,208,262)(H,209,258)(H,210,267)(H,211,268)(H,212,245)(H,213,269)(H,214,264)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)/t93-,94-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,146-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)CC(C)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O" . "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "GKDWRERMBNGKCZ-RNXBIMIWSA-N" . "InChI=1S/C97H124N20O31S/c1-49(2)39-68(114-95(146)71(43-54-46-100-59-18-11-9-16-57(54)59)116-97(148)73-19-12-37-117(73)76(121)48-102-85(136)60-24-30-74(119)104-60)93(144)110-65(29-35-81(130)131)91(142)109-64(28-34-80(128)129)90(141)108-63(27-33-79(126)127)89(140)107-62(26-32-78(124)125)88(139)106-61(25-31-77(122)123)87(138)103-50(3)84(135)113-69(41-52-20-22-55(118)23-21-52)86(137)101-47-75(120)105-70(42-53-45-99-58-17-10-8-15-56(53)58)94(145)111-66(36-38-149-4)92(143)115-72(44-82(132)133)96(147)112-67(83(98)134)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,60-73,99-100,118H,12,19,24-44,47-48H2,1-4H3,(H2,98,134)(H,101,137)(H,102,136)(H,103,138)(H,104,119)(H,105,120)(H,106,139)(H,107,140)(H,108,141)(H,109,142)(H,110,144)(H,111,145)(H,112,147)(H,113,135)(H,114,146)(H,115,143)(H,116,148)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1" . "CCC(C1C(=O)NC(C(=O)N1C(C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C" . "CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C" . "PLVGDGRBPMVYPB-FDUHJNRSSA-N" . "InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1" . "Fc1ccc(c(c1)C1OCC(CC1N)N1Cc2c(C1)cn(n2)S(=O)(=O)C)F" . "Fc1ccc(c(c1)[C@H]1OC[C@@H](C[C@@H]1N)N1Cc2c(C1)cn(n2)S(=O)(=O)C)F" . "MKMPWKUAHLTIBJ-ISTRZQFTSA-N" . "InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1" . "OC(=O)C(Cc1ccccc1)(N)C" . "OC(=O)C(Cc1ccccc1)(N)C" . "HYOWVAAEQCNGLE-UHFFFAOYSA-N" . "InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)" . "OC(=O)C1CCC(CC1)CN1CCCC(c2c1c(C)cc(c2)C)N(c1nnn(n1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "OC(=O)C1CCC(CC1)CN1CCC[C@@H](c2c1c(C)cc(c2)C)N(c1nnn(n1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "IHIUGIVXARLYHP-UXNJHFGPSA-N" . "InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20?,22?,26-/m0/s1" . "COc1cc(F)c(cc1c1ccc(cc1CN1C(=O)OC(C1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C" . "COc1cc(F)c(cc1c1ccc(cc1CN1C(=O)O[C@@H]([C@@H]1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C" . "MZZLGJHLQGUVPN-HAWMADMCSA-N" . "InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1" . "COC(C1Cc2cc3cc(OC4OC(C)C(C(C4)OC4CC(O)C(C(O4)C)O)O)c(c(c3c(c2C(=O)C1OC1OC(C)C(C(C1)OC1OC(C)C(C(C1)OC1OC(C)C(C(C1)(C)O)O)O)O)O)O)C)C(=O)C(C(O)C)O" . "CO[C@@H]([C@@H]1Cc2cc3cc(O[C@@H]4O[C@H](C)[C@H]([C@@H](C4)O[C@H]4C[C@@H](O)[C@@H]([C@H](O4)C)O)O)c(c(c3c(c2C(=O)[C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@H](C)[C@@H]([C@@H](C1)O[C@@H]1O[C@H](C)[C@H]([C@@](C1)(C)O)O)O)O)O)O)C)C(=O)[C@H]([C@H](O)C)O" . "CFCUWKMKBJTWLW-BKHRDMLASA-N" . "InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1" . "CCCC1OC(=O)C(=O)C1C(=O)O" . "CCC[C@@H]1OC(=O)C(=O)[C@H]1C(=O)O" . "AKWJFOMNTDKSRR-WHFBIAKZSA-N" . "InChI=1S/C8H10O5/c1-2-3-4-5(7(10)11)6(9)8(12)13-4/h4-5H,2-3H2,1H3,(H,10,11)/t4-,5-/m0/s1" . "OCC1CC(C(C1O)O)n1cnc2c1ccnc2N" . "OCC1CC([C@@H]([C@@H]1O)O)n1cnc2c1ccnc2N" . "XNJHAZWZQGXOSC-FDNQDJDWSA-N" . "InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6?,8?,10-,11+/m1/s1" . "ONC(=O)c1cnc(nc1)N1CC2C(C1)C2NCc1ccc2c(n1)ccc(c2)F" . "ONC(=O)c1cnc(nc1)N1C[C@@H]2[C@H](C1)[C@H]2NCc1ccc2c(n1)ccc(c2)F" . "QRGHOAATPOLDPF-VQFNDLOPSA-N" . "InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+" . "NC1CCC(CC1)NC1CC1c1ccccc1" . "NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1" . "ALHBJBCQLJZYON-PFSRBDOWSA-N" . "InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1" . "COc1cc2c(cc1OCCOCCN(C)C)nc(nc2NC1CCN(CC1)C)N1CCCN(CC1)C" . "COc1cc2c(cc1OCCOCCN(C)C)nc(nc2NC1CCN(CC1)C)N1CCCN(CC1)C" . "AULLUGALUBVBDD-UHFFFAOYSA-N" . "InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)" . "OCC12SSC3(N(C1=O)C1Nc4c(C1(C3)C13CC56N(C3Nc3c1cccc3)C(=O)C(SS5)(N(C6=O)C)CO)cccc4)C(=O)N2C" . "OCC12SSC3(N(C1=O)C1Nc4c(C1(C3)C13CC56N(C3Nc3c1cccc3)C(=O)C(SS5)(N(C6=O)C)CO)cccc4)C(=O)N2C" . "PZPPOCZWRGNKIR-UHFFFAOYSA-N" . "InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3" . "COc1cc(ccc1OC)NC(=S)NCCCn1cncc1" . "COc1cc(ccc1OC)NC(=S)NCCCn1cncc1" . "FZQXMGLQANXZRP-UHFFFAOYSA-N" . "InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)" . "O=C(c1cc(cc2c1cnn2C1CCCC1)c1ccc(cc1)CN1CCOCC1)NCc1c(C)cc([nH]c1=O)C" . "O=C(c1cc(cc2c1cnn2C1CCCC1)c1ccc(cc1)CN1CCOCC1)NCc1c(C)cc([nH]c1=O)C" . "ZOIBZSZLMJDVDQ-UHFFFAOYSA-N" . "InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)" . "COc1ccc(cc1O)C(=O)C1=C2OC(C)(C)C(CC32CC(C(C(C1=O)(C3=O)CC=C(C)C)(C)C)CC=C(C)C)CC=C(C)C" . "COc1ccc(cc1O)C(=O)C1=C2OC(C)(C)[C@H](C[C@]32C[C@H](C([C@@](C1=O)(C3=O)CC=C(C)C)(C)C)CC=C(C)C)CC=C(C)C" . "GEMUMPJYCDKSDU-OAKZDBKWSA-N" . "InChI=1S/C39H52O6/c1-23(2)12-15-27-21-38-22-28(16-13-24(3)4)37(9,10)45-34(38)31(32(41)26-14-17-30(44-11)29(40)20-26)33(42)39(35(38)43,36(27,7)8)19-18-25(5)6/h12-14,17-18,20,27-28,40H,15-16,19,21-22H2,1-11H3/t27-,28+,38+,39+/m1/s1" . "NC(=N)NCCCC(C(=O)O)NC(=O)CSCC(c1ccccc1)c1ccccc1" . "NC(=N)NCCC[C@@H](C(=O)O)NC(=O)CSCC(c1ccccc1)c1ccccc1" . "OVJFQPIFXZBDKN-IBGZPJMESA-N" . "InChI=1S/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1" . "Nc1ncc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1" . "Nc1ncc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1" . "ADGGYDAFIHSYFI-UHFFFAOYSA-N" . "InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)" . "Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1" . "Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1" . "QYBGBLQCOOISAR-UHFFFAOYSA-N" . "InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)" . "O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)NC(C(=O)O)CCCNC(=N)N" . "O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)CCCNC(=N)N" . "RFBOIZXPIAOMAX-SFHVURJKSA-N" . "InChI=1S/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(=O)O)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)C)CO" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)CC(=O)O)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)C)CO" . "CZCSLPSTPNFNFR-WILIORGOSA-N" . "InChI=1S/C90H137N31O19/c1-46(2)35-65(76(129)108-44-71(123)111-66(36-47(3)4)81(134)110-48(5)73(126)116-64(86(139)140)29-18-34-104-90(99)100)118-79(132)60(25-13-14-30-91)115-85(138)70(45-122)121-74(127)49(6)109-77(130)61(26-15-31-101-87(93)94)113-82(135)68(39-52-43-107-59-24-12-9-21-55(52)59)119-80(133)63(28-17-33-103-89(97)98)112-78(131)62(27-16-32-102-88(95)96)114-84(137)69(40-72(124)125)120-83(136)67(38-51-42-106-58-23-11-8-20-54(51)58)117-75(128)56(92)37-50-41-105-57-22-10-7-19-53(50)57/h7-12,19-24,41-43,46-49,56,60-70,105-107,122H,13-18,25-40,44-45,91-92H2,1-6H3,(H,108,129)(H,109,130)(H,110,134)(H,111,123)(H,112,131)(H,113,135)(H,114,137)(H,115,138)(H,116,126)(H,117,128)(H,118,132)(H,119,133)(H,120,136)(H,121,127)(H,124,125)(H,139,140)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t48-,49-,56-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1" . "Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O" . "Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O" . "TXEIIPDJKFWEEC-UHFFFAOYSA-N" . "InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)" . "CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C" . "CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C" . "ZUHZNKJIJDAJFD-UHFFFAOYSA-N" . "InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)C12OCC(O1)(CO)C(C(C2O)O)O" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O" . "MCIACXAZCBVDEE-CUUWFGFTSA-N" . "InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1" . "N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C" . "N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C" . "OAPIWVHFYSEARE-UHFFFAOYSA-N" . "InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3" . "CCn1nc(c(c1)c1ccnc2c1cc([nH]2)c1cccc(c1)CN(C)C)c1ccc(cc1)NC(=O)N(C)C" . "CCn1nc(c(c1)c1ccnc2c1cc([nH]2)c1cccc(c1)CN(C)C)c1ccc(cc1)NC(=O)N(C)C" . "QTBWCSQGBMPECM-UHFFFAOYSA-N" . "InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)" . "NC(=NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCCN=C(N)N)C)CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CSSC[C@@H](C(=O)O)N)C)CCCN=C(N)N)N" . "C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C" . "ANIAZGVDEUQPRI-ZJQCGQFWSA-N" . "InChI=1S/C38H73N21O10S2/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52)/t18-,19-,21+,22-,23-,24-,25-,26-/m1/s1" . "COc1ccc2c(c1OCc1ccccc1)CC(N(C2)C(=O)C(c1ccccc1)c1ccccc1)C(=O)O" . "COc1ccc2c(c1OCc1ccccc1)C[C@H](N(C2)C(=O)C(c1ccccc1)c1ccccc1)C(=O)O" . "GHBCIXGRCZIPNQ-MHZLTWQESA-N" . "InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1" . "Clc1ccc(cc1)c1cc(C(C2CCCCN2)O)c2c(n1)cccc2" . "Clc1ccc(cc1)c1cc(C(C2CCCCN2)O)c2c(n1)cccc2" . "VKLJPGAHSLIQKH-UHFFFAOYSA-N" . "InChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2" . "OCC(=O)OC1CC2(OC1(C)C1CCC(C1C2OC(=O)C=Cc1ccccc1)C)C(C)C" . "OCC(=O)O[C@@H]1C[C@@]2(O[C@@]1(C)[C@@H]1CC[C@H]([C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1)C)C(C)C" . "GACOFEKSDCOVMV-RRYXBOBMSA-N" . "InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1" . "COc1cc2CCN3C(c2cc1O)Cc1c(C3)c(OC)c(cc1)O" . "COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O" . "JKPISQIIWUONPB-HNNXBMFYSA-N" . "InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1" . "Clc1cc(CN2CCN(CC2)c2ccccn2)c(c2c1cccn2)O" . "Clc1cc(CN2CCN(CC2)c2ccccn2)c(c2c1cccn2)O" . "OPEJNANYABTIGC-UHFFFAOYSA-N" . "InChI=1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2" . "O=C(c1ccc2c(c1)N(C)C(=O)c1c(S2=O)cccc1)NCCc1cccs1" . "O=C(c1ccc2c(c1)N(C)C(=O)c1c([S@@]2=O)cccc1)NCCc1cccs1" . "YXLLQNMKIDBOGH-NDEPHWFRSA-N" . "InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1" . "CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N" . "CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N" . "VAZAPHZUAVEOMC-UHFFFAOYSA-N" . "InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)" . "ONC(=O)c1ccc(cc1)OCCNC(=O)c1oc2c(c1CN(C)C)cccc2" . "ONC(=O)c1ccc(cc1)OCCNC(=O)c1oc2c(c1CN(C)C)cccc2" . "MAUCONCHVWBMHK-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)" . "CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)C=CC(=O)NO" . "CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)/C=C/C(=O)NO" . "JHDKZFFAIZKUCU-ZRDIBKRKSA-N" . "InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+" . "N#CCC1(CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F)n1ncc(c1)c1ncnc2c1cc[nH]2" . "N#CCC1(CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F)n1ncc(c1)c1ncnc2c1cc[nH]2" . "KTBSXLIQKWEBRB-UHFFFAOYSA-N" . "InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)" . "COc1cccc(c1F)c1c(=O)n(CC(c2ccccc2)NCCCC(=O)O)c(=O)n(c1C)Cc1c(F)cccc1C(F)(F)F" . "COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)NCCCC(=O)O)c(=O)n(c1C)Cc1c(F)cccc1C(F)(F)F" . "HEAUOKZIVMZVQL-VWLOTQADSA-N" . "InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1" . "[O-][N+](=O)c1cc(ccc1I)C(=O)N" . "[O-][N+](=O)c1cc(ccc1I)C(=O)N" . "MDOJTZQKHMAPBK-UHFFFAOYSA-N" . "InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)" . "O=C(CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)Nc1ccc(cc1)O" . "O=C(C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)Nc1ccc(cc1)O" . "GNMUEVRJHCWKTO-FQEVSTJZSA-N" . "InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1" . "OCC(C(C)C)N" . "OC[C@H](C(C)C)N" . "NWYYWIJOWOLJNR-RXMQYKEDSA-N" . "InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1" . "OCC1CCN(CC1)CCCOc1cc2ncnc(c2cc1OC)Nc1ncc(s1)CC(=O)Nc1cccc(c1)F" . "OCC1CCN(CC1)CCCOc1cc2ncnc(c2cc1OC)Nc1ncc(s1)CC(=O)Nc1cccc(c1)F" . "QNJAKUMXJFWQOG-UHFFFAOYSA-N" . "InChI=1S/C29H33FN6O4S/c1-39-25-14-23-24(15-26(25)40-11-3-8-36-9-6-19(17-37)7-10-36)32-18-33-28(23)35-29-31-16-22(41-29)13-27(38)34-21-5-2-4-20(30)12-21/h2,4-5,12,14-16,18-19,37H,3,6-11,13,17H2,1H3,(H,34,38)(H,31,32,33,35)" . "CCS(=O)(=O)Nc1ccc2c(c1)C(=C(c1ccccc1)Nc1ccc(cc1)CN1CCCCC1)C(=O)N2" . "CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/c1ccccc1)/Nc1ccc(cc1)CN1CCCCC1)/C(=O)N2" . "GLDSKRNGVVYJAB-DQSJHHFOSA-N" . "InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-" . "COc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(cc1)NC(=O)c1ccccc1" . "COc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(cc1)NC(=O)c1ccccc1" . "OGNYUTNQZVRGMN-UHFFFAOYSA-N" . "InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C" . "GHOSNRCGJFBJIB-UHFFFAOYSA-N" . "InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)C1OC(SC)C(C(C1O)O)O" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](SC)[C@H]([C@@H]([C@H]1O)O)O" . "QKDRXGFQVGOQKS-CRSSMBPESA-N" . "InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1" . "N#Cc1ccc(cc1)C1CCCc2n1cnc2" . "N#Cc1ccc(cc1)C1CCCc2n1cnc2" . "CLPFFLWZZBQMAO-UHFFFAOYSA-N" . "InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)C)CCCN=C(N)N)C)CC(C)C)CO)CCCN=C(N)N)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)C)CC(C)C)C)CC(=O)N)CCCCN)CS)CS)Cc1nc[nH]c1)CS" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)C)CCCN=C(N)N)C)CC(C)C)CO)CCCN=C(N)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)C)CC(C)C)C)CC(=O)N)CCCCN)CS)CS)Cc1nc[nH]c1)CS" . "JPICFXXNKSFHNE-FHWINVSDSA-N" . "InChI=1S/C87H154N32O26S4/c1-39(2)26-53(110-67(126)42(7)101-70(129)48(90)32-120)75(134)104-44(9)68(127)111-56(29-62(91)123)77(136)108-49(18-12-14-22-88)74(133)115-60(36-148)81(140)116-59(35-147)80(139)113-55(28-47-30-96-38-100-47)78(137)118-64(41(5)6)83(142)99-31-63(124)105-58(34-146)82(141)119-65(46(11)122)84(143)109-50(19-13-15-23-89)72(131)107-52(21-17-25-98-87(94)95)73(132)114-57(33-121)79(138)112-54(27-40(3)4)76(135)103-43(8)66(125)106-51(20-16-24-97-86(92)93)71(130)102-45(10)69(128)117-61(37-149)85(144)145/h30,38-46,48-61,64-65,120-122,146-149H,12-29,31-37,88-90H2,1-11H3,(H2,91,123)(H,96,100)(H,99,142)(H,101,129)(H,102,130)(H,103,135)(H,104,134)(H,105,124)(H,106,125)(H,107,131)(H,108,136)(H,109,143)(H,110,126)(H,111,127)(H,112,138)(H,113,139)(H,114,132)(H,115,133)(H,116,140)(H,117,128)(H,118,137)(H,119,141)(H,144,145)(H4,92,93,97)(H4,94,95,98)/t42-,43-,44-,45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1" . "CC(CC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C " . "CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O" . "ASNYBKBWOJOFFP-CPDXTSBQSA-N" . "InChI=1S/C35H53N7O20/c1-15(2)13-22(35(61)62)42-33(59)20(7-12-27(51)52)39-31(57)18(5-10-25(47)48)40-34(60)21(14-28(53)54)41-32(58)19(6-11-26(49)50)38-30(56)17(4-9-24(45)46)37-29(55)16(36)3-8-23(43)44/h15-22H,3-14,36H2,1-2H3,(H,37,55)(H,38,56)(H,39,57)(H,40,60)(H,41,58)(H,42,59)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,61,62)/t16-,17-,18-,19-,20-,21-,22-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)O)CCCN=C(N)N)CC(=O)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(CO)N)CC(C)C)CCC(=O)O)CC(C)C" . "OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCCN=C(N)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCC(=O)O)CC(C)C" . "UGSPCJRSHHDBMB-OEAGQSEASA-N" . "InChI=1S/C58H93N19O19/c1-29(2)19-35(71-47(85)32(59)26-78)48(86)65-25-45(82)69-38(21-31-23-63-28-67-31)56(94)76-17-7-10-40(76)52(90)70-34(13-14-46(83)84)55(93)75-16-6-11-41(75)53(91)73-36(20-30(3)4)50(88)74-39(27-79)51(89)72-37(22-43(60)80)49(87)66-24-44(81)68-33(9-5-15-64-58(61)62)54(92)77-18-8-12-42(77)57(95)96/h23,28-30,32-42,78-79H,5-22,24-27,59H2,1-4H3,(H2,60,80)(H,63,67)(H,65,86)(H,66,87)(H,68,81)(H,69,82)(H,70,90)(H,71,85)(H,72,89)(H,73,91)(H,74,88)(H,83,84)(H,95,96)(H4,61,62,64)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1" . "COc1ccc2c(c1)c(CCN(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1ccc(c(c1)Cl)Cl)c[nH]2" . "COc1ccc2c(c1)c(CCN(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1ccc(c(c1)Cl)Cl)c[nH]2" . "FAXDMTURZKFXIY-UHFFFAOYSA-N" . "InChI=1S/C27H21Cl2F6N3O2/c1-40-20-3-5-24-21(12-20)16(13-36-24)6-7-38(14-15-2-4-22(28)23(29)8-15)25(39)37-19-10-17(26(30,31)32)9-18(11-19)27(33,34)35/h2-5,8-13,36H,6-7,14H2,1H3,(H,37,39)" . "CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC" . "CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC" . "KJNNWYBAOPXVJY-UHFFFAOYSA-N" . "InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3" . "Fc1cccc(c1)C1=C(OC(C1=O)(C)C)c1ccc(cc1)S(=O)(=O)N" . "Fc1cccc(c1)C1=C(OC(C1=O)(C)C)c1ccc(cc1)S(=O)(=O)N" . "IJWPAFMIFNSIGD-UHFFFAOYSA-N" . "InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)" . "SCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)CC(C)C)C(O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CS)CC(C)C)CO " . "CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O" . "ORZUJWXQUJEDHD-VGYPRHCQSA-N" . "InChI=1S/C63H109N17O23S4/c1-26(2)15-35(54(93)72-38(18-29(7)8)58(97)79-49(31(10)83)62(101)75-37(17-28(5)6)56(95)78-43(25-107)63(102)103)71-57(96)39(19-47(87)88)74-53(92)33(11-13-44(65)84)69-52(91)34(12-14-45(66)85)70-61(100)48(30(9)82)80-60(99)41(23-105)68-46(86)20-67-51(90)40(21-81)76-55(94)36(16-27(3)4)73-59(98)42(24-106)77-50(89)32(64)22-104/h26-43,48-49,81-83,104-107H,11-25,64H2,1-10H3,(H2,65,84)(H2,66,85)(H,67,90)(H,68,86)(H,69,91)(H,70,100)(H,71,96)(H,72,93)(H,73,98)(H,74,92)(H,75,101)(H,76,94)(H,77,89)(H,78,95)(H,79,97)(H,80,99)(H,87,88)(H,102,103)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,48+,49+/m1/s1" . "N#Cc1ccc(c(c1)F)C1CCc2n1cnc2" . "N#Cc1ccc(c(c1)F)[C@H]1CCc2n1cnc2" . "USUZGMWDZDXMDG-CYBMUJFWSA-N" . "InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1" . "CCC(C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C" . "CC[C@](C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C" . "ASUGUQWIHMTFJL-QGZVFWFLSA-N" . "InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1" . "SCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CS)CC(C)C)C(O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CS)CS)CC(C)C)CO" . "SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CS)CC(C)C)[C@H](O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)[C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CS)CS)CC(C)C)CO" . "HHIHBEIJOBMKLZ-XYUOUADWSA-N" . "InChI=1S/C86H134N20O28S4/c1-39(2)26-52(74(121)95-55(29-42(7)8)78(125)104-69(44(10)109)84(131)98-54(28-41(5)6)76(123)103-62(38-138)85(132)106-25-11-12-63(106)82(129)99-57(86(133)134)31-46-15-19-48(111)20-16-46)94-77(124)56(32-67(115)116)97-73(120)50(21-23-64(88)112)92-72(119)51(22-24-65(89)113)93-83(130)68(43(9)108)105-81(128)59(35-135)91-66(114)33-90-71(118)58(34-107)100-75(122)53(27-40(3)4)96-79(126)61(37-137)102-80(127)60(36-136)101-70(117)49(87)30-45-13-17-47(110)18-14-45/h13-20,39-44,49-63,68-69,107-111,135-138H,11-12,21-38,87H2,1-10H3,(H2,88,112)(H2,89,113)(H,90,118)(H,91,114)(H,92,119)(H,93,130)(H,94,124)(H,95,121)(H,96,126)(H,97,120)(H,98,131)(H,99,129)(H,100,122)(H,101,117)(H,102,127)(H,103,123)(H,104,125)(H,105,128)(H,115,116)(H,133,134)/t43-,44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,68+,69+/m1/s1" . "CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2" . "CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2" . "BFVNEYDCFJNLGN-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31)" . "CC(Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F)C" . "CC(Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F)C" . "RSYHJSDOGMSLDH-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N2O5S/c1-15(2)34-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)35(32,33)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)" . "OC(CCCCCC(C(=O)O)(C)C)CCCCCC(C(=O)O)(C)C" . "OC(CCCCCC(C(=O)O)(C)C)CCCCCC(C(=O)O)(C)C" . "HYHMLYSLQUKXKP-UHFFFAOYSA-N" . "InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)" . "CN(CCC(Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1c1ccc(cc1)Cl)CSc1ccccc1)C" . "CN(CC[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1c1ccc(cc1)Cl)CSc1ccccc1)C" . "HPLNQCPCUACXLM-PGUFJCEWSA-N" . "InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1" . "Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(c(c2)S(=O)(=O)C(F)(F)F)NC(CSc2ccccc2)CCN2CCOCC2)CC(CC1)(C)C" . "Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(c(c2)S(=O)(=O)C(F)(F)F)N[C@@H](CSc2ccccc2)CCN2CCOCC2)CC(CC1)(C)C" . "JLYAXFNOILIKPP-KXQOOQHDSA-N" . "InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1" . "Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCC1CCOCC1" . "Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCC1CCOCC1" . "LQBVNQSMGBZMKD-UHFFFAOYSA-N" . "InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)" . "NC(=O)c1cnc2c(c1NC1C3CC4CC1CC(C3)(C4)O)cc[nH]2" . "NC(=O)c1cnc2c(c1NC1[C@@H]3CC4C[C@H]1CC(C3)(C4)O)cc[nH]2" . "DREIJXJRTLTGJC-JQCLMNFQSA-N" . "InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?" . "CC#CCC(C(C=CC1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C" . "CC#CC[C@@H]([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1c1cccc(c1O2)CCCC(=O)O)O)C" . "CTPOHARTNNSRSR-NOQAJONNSA-N" . "InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1" . "Fc1ccc(cc1)C1N=c2cc(F)cc3c2c(C1c1ncnn1C)[nH][nH]c3=O" . "Fc1ccc(cc1)[C@H]1N=c2cc(F)cc3c2c([C@@H]1c1ncnn1C)[nH][nH]c3=O" . "IUEWAGVJRJORLA-HZPDHXFCSA-N" . "InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,25H,1H3,(H,26,28)/t15-,16-/m1/s1" . "NC1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl" . "N[C@@H]1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl" . "SRPXSILJHWNFMK-MEDUHNTESA-N" . "InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1" . "OCC1OC(OC2CC(CC(C2OC2OC(C)C(C(C2O)O)O)NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C(=O)NCCNC(=O)COCCOCC(=O)Nc2cc(cc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(C(C1O)OC(C(=O)O)CC1CCCCC1)OC(=O)c1ccccc1" . "OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C[C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C(=O)NCCNC(=O)COCCOCC(=O)Nc2cc(cc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[C@@H]([C@H]([C@H]1O)O[C@H](C(=O)O)CC1CCCCC1)OC(=O)c1ccccc1" . "VXBNTHRZPJLRSS-PTCSXESPSA-N" . "InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78)/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+/m0/s1" . "N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCn1nnc(c1)C" . "N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCn1nnc(c1)C" . "YPRKVQKJNRKXFN-UHFFFAOYSA-N" . "InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3" . "O=C(C=Cc1cccnc1)NCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N" . "O=C(C=Cc1cccnc1)NCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N" . "WXHHICFWKXDFOW-UHFFFAOYSA-N" . "InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)" . "COc1ccc(cc1c1nc(N)nc2c1[nH]cn2)Br" . "COc1ccc(cc1c1nc(N)nc2c1[nH]cn2)Br" . "KDNVOUMYSICLPF-UHFFFAOYSA-N" . "InChI=1S/C12H10BrN5O/c1-19-8-3-2-6(13)4-7(8)9-10-11(16-5-15-10)18-12(14)17-9/h2-5H,1H3,(H3,14,15,16,17,18)" . "CCC1=CC2C(C1)CC2(CN)CC(=O)O" . "CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O" . "FTBQORVNHOIASH-CKYFFXLPSA-N" . "InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1" . "NCc1c2ccccc2n(c1c1ccc(cc1Cl)Cl)S(=O)(=O)C" . "NCc1c2ccccc2n(c1c1ccc(cc1Cl)Cl)S(=O)(=O)C" . "MTMKFBZYRGNPDF-UHFFFAOYSA-N" . "InChI=1S/C16H14Cl2N2O2S/c1-23(21,22)20-15-5-3-2-4-11(15)13(9-19)16(20)12-7-6-10(17)8-14(12)18/h2-8H,9,19H2,1H3" . "N#CCOc1ccc2c(c1)c(NC(=O)N1C3CC3CC1C(=O)NCc1cccc(c1F)Cl)cn2C(=O)N" . "N#CCOc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(c1F)Cl)cn2C(=O)N" . "SOCAXRLFGRNEPK-IFZYUDKTSA-N" . "InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1" . "Cn1ncc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1" . "Cn1ncc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1" . "VNWKCLDQBNSJJO-UHFFFAOYSA-N" . "InChI=1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)" . "N#Cc1cccc(c1)c1ccc(=O)n(n1)Cc1cccc(c1)c1ncc(cn1)OCC1CCN(CC1)C" . "N#Cc1cccc(c1)c1ccc(=O)n(n1)Cc1cccc(c1)c1ncc(cn1)OCC1CCN(CC1)C" . "AHYMHWXQRWRBKT-UHFFFAOYSA-N" . "InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)c1cnc(n(c1=O)C)Cc1ccccc1" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)c1cnc(n(c1=O)C)Cc1ccccc1" . "PEGWVOKOYYAQEV-UHFFFAOYSA-N" . "InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3" . "NC(=O)C(NCc1ccc(cc1)OCc1cccc(c1)F)C" . "NC(=O)[C@@H](NCc1ccc(cc1)OCc1cccc(c1)F)C" . "NEMGRZFTLSKBAP-LBPRGKRZSA-N" . "InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1" . "CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F" . "CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F" . "HAYYBYPASCDWEQ-UHFFFAOYSA-N" . "InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)" . "CC(=O)NCCN(c1cccc(c1)OCCCCc1ccccc1)C" . "CC(=O)NCCN(c1cccc(c1)OCCCCc1ccccc1)C" . "VJIVACBGAAEDPS-UHFFFAOYSA-N" . "InChI=1S/C21H28N2O2/c1-18(24)22-14-15-23(2)20-12-8-13-21(17-20)25-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,17H,6-7,11,14-16H2,1-2H3,(H,22,24)" . "CCn1c2ccc(cc2c2c1cccc2)CNCc1cccnc1" . "CCn1c2ccc(cc2c2c1cccc2)CNCc1cccnc1" . "GAVUWQFIRGBDHN-UHFFFAOYSA-N" . "InChI=1S/C21H21N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)13-23-15-17-6-5-11-22-14-17/h3-12,14,23H,2,13,15H2,1H3" . "OC(CN1CCc2c(C1)cccc2)CNC(=O)c1ncnc(c1)NC1COC1" . "O[C@H](CN1CCc2c(C1)cccc2)CNC(=O)c1ncnc(c1)NC1COC1" . "ZKXZLIFRWWKZRY-KRWDZBQOSA-N" . "InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1" . "COc1cccc(c1)C1(O)CCCCC1CN(C)C" . "COc1cccc(c1)C1(O)CCCCC1CN(C)C" . "TVYLLZQTGLZFBW-UHFFFAOYSA-N" . "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3" . "CN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O" . "CN1CCc2c3[C@@H]1Cc1ccc(c(c1c3ccc2)O)O" . "VMWNQDUVQKEIOC-ZDUSSCGKSA-N" . "InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1" . "OC(=O)C1CC(=C(F)F)C(C1)N" . "OC(=O)[C@H]1CC(=C(F)F)[C@H](C1)N" . "CBSRETZPFOBWNG-UCORVYFPSA-N" . "InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1" . "CCOc1nc(nc2c1[nH]c1c2ccc(c1)c1ccncc1)N1CCNCC1" . "CCOc1nc(nc2c1[nH]c1c2ccc(c1)c1ccncc1)N1CCNCC1" . "HFGHRUCCKVYFKL-UHFFFAOYSA-N" . "InChI=1S/C21H22N6O/c1-2-28-20-19-18(25-21(26-20)27-11-9-23-10-12-27)16-4-3-15(13-17(16)24-19)14-5-7-22-8-6-14/h3-8,13,23-24H,2,9-12H2,1H3" . "CCCCCCCC(=O)CCC1C(O)CC(C1CC=CCCCC(=O)OC(C)C)O" . "CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)OC(C)C)O" . "XXUPXHKCPIKWLR-JHUOEJJVSA-N" . "InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1" . "OC(C(COS(=O)(=O)C)O)COS(=O)(=O)C" . "OC(C(COS(=O)(=O)C)O)COS(=O)(=O)C" . "YCPOZVAOBBQLRI-UHFFFAOYSA-N" . "InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3" . "CCC(n1c(=O)[nH]c2c1nc(C#C)cn2)CC" . "CCC(n1c(=O)[nH]c2c1nc(C#C)cn2)CC" . "RSQGZEAXODVTOL-UHFFFAOYSA-N" . "InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)" . "Nc1ccc(cc1)C1=NN(C(=O)C)C(Cc2c1cc1OCOc1c2)C" . "Nc1ccc(cc1)C1=NN(C(=O)C)[C@@H](Cc2c1cc1OCOc1c2)C" . "JACAAXNEHGBPOQ-LLVKDONJSA-N" . "InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1" . "C#CCN(c1ccc(c(c1)F)C(=O)NC(C(=O)O)CCc1n[nH]nn1)Cc1cc2c(=O)nc([nH]c2cc1C)C" . "C#CCN(c1ccc(c(c1)F)C(=O)N[C@H](C(=O)O)CCc1n[nH]nn1)Cc1cc2c(=O)nc([nH]c2cc1C)C" . "IEJSCSAMMLUINT-NRFANRHFSA-N" . "InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1" . "OC(=O)c1ccc(cc1)C=Cc1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C" . "OC(=O)c1ccc(cc1)/C=C/c1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C" . "YTFHCXIPDIHOIA-DHZHZOJOSA-N" . "InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+" . "NC(=O)c1cccc2c1nn(c2)c1ccc(cc1)C1CCCNC1" . "NC(=O)c1cccc2c1nn(c2)c1ccc(cc1)[C@@H]1CCCNC1" . "PCHKPVIQAHNQLW-CQSZACIVSA-N" . "InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCCNC(=O)C(NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC1C(NC(=O)C)C(O)OC(C1O)CO)C)C)C)O)COC(=O)CCCCCCCCCCCCCCC" . "CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCCNC(=O)[C@@H](NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@@H](NC(=O)C)[C@H](O)O[C@@H](C1O)CO)C)C)C)O)COC(=O)CCCCCCCCCCCCCCC" . "JMUHBNWAORSSBD-ZXSMYVEWSA-N" . "InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-61-56(73)42(3)62-49(68)36-35-47(55(60)72)65-57(74)43(4)63-58(75)44(5)82-54-52(64-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,72)(H,61,73)(H,62,68)(H,63,75)(H,64,67)(H,65,74)(H,77,78)/t42-,43-,44+,46?,47+,48+,52+,53?,54+,59+/m0/s1" . "NC1=NC(=O)N2C1C2" . "NC1=NC(=O)N2C1C2" . "BIXBBIPTYBJTRY-UHFFFAOYSA-N" . "InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)" . "OCC1NC(C(C1O)O)c1c[nH]c2c1[nH]cnc2=O" . "OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1[nH]cnc2=O" . "IWKXDMQDITUYRK-KUBHLMPHSA-N" . "InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1" . "OC(CN1CCCCC1)CON=C(c1ccc[n+](c1)[O-])Cl" . "O[C@H](CN1CCCCC1)CO/N=C(/c1ccc[n+](c1)[O-])/Cl" . "SGEIEGAXKLMUIZ-XUVDNFPMSA-N" . "InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/b16-14-/t13-/m1/s1" . "OC(=O)C(Cc1cn(c2c1cccc2)C)N" . "OC(=O)[C@H](Cc1cn(c2c1cccc2)C)N" . "ZADWXFSZEAPBJS-JTQLQIEISA-N" . "InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)C(O)C)C(C)C)CC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)N)CC(C)C)CCC(=O)N " . "CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)C(C)C" . "WOACUGNMTZAEJZ-GXLXRQKGSA-N" . "InChI=1S/C45H79N11O15/c1-19(2)16-27(40(65)52-29(18-31(47)59)41(66)54-34(22(7)8)43(68)56-36(24(11)57)44(69)55-35(23(9)10)45(70)71)51-38(63)26(13-15-32(60)61)49-37(62)25(12-14-30(46)58)50-39(64)28(17-20(3)4)53-42(67)33(48)21(5)6/h19-29,33-36,57H,12-18,48H2,1-11H3,(H2,46,58)(H2,47,59)(H,49,62)(H,50,64)(H,51,63)(H,52,65)(H,53,67)(H,54,66)(H,55,69)(H,56,68)(H,60,61)(H,70,71)/t24-,25+,26+,27+,28+,29+,33+,34+,35+,36+/m1/s1" . "OC(=O)CCC(c1ccccc1)Oc1cc(ccc1C(=O)C)OCc1cccc2c1OCO2" . "OC(=O)CCC(c1ccccc1)Oc1cc(ccc1C(=O)C)OCc1cccc2c1OCO2" . "PQYQQIZSHUQNNZ-UHFFFAOYSA-N" . "InChI=1S/C26H24O7/c1-17(27)21-11-10-20(30-15-19-8-5-9-23-26(19)32-16-31-23)14-24(21)33-22(12-13-25(28)29)18-6-3-2-4-7-18/h2-11,14,22H,12-13,15-16H2,1H3,(H,28,29)" . "OCCOC1c2cc3ccccc3nc2c2n1c(=O)c1c(c2)CC(C(=O)O1)(O)CC" . "OCCO[C@H]1c2cc3ccccc3nc2c2n1c(=O)c1c(c2)C[C@@](C(=O)O1)(O)CC" . "UPAYPYZHFCRCMO-UNMCSNQZSA-N" . "InChI=1S/C22H20N2O6/c1-2-22(28)11-13-10-16-17-14(9-12-5-3-4-6-15(12)23-17)20(29-8-7-25)24(16)19(26)18(13)30-21(22)27/h3-6,9-10,20,25,28H,2,7-8,11H2,1H3/t20-,22-/m0/s1" . "COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cn1)C)c1ccncc1" . "COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cn1)C)c1ccncc1" . "YBWLTKFZAOSWSM-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)" . "ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)NC" . "ONC(=O)[C@]1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)NC" . "ZUZGJCNWNOCKEB-XMMPIXPASA-N" . "InChI=1S/C24H29N3O6S/c1-25-21(28)17-2-4-18(5-3-17)33-19-6-8-20(9-7-19)34(31,32)24(22(29)27-30)11-10-23(16-24)12-14-26-15-13-23/h2-9,26,30H,10-16H2,1H3,(H,25,28)(H,27,29)/t24-/m1/s1" . "OC(=O)C1CCCN1C(=O)CCCCC(=O)N1CCCC1C(=O)O" . "OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O" . "HZLAWYIBLZNRFZ-VXGBXAGGSA-N" . "InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1" . "CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)NC1CCCCC1O" . "CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)N[C@@H]1CCCC[C@H]1O" . "ADZBMFGQQWPHMJ-RHSMWYFYSA-N" . "InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1" . "CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C" . "CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C" . "UYBRROMMFMPJAN-UHFFFAOYSA-N" . "InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)" . "OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1cc(Nc2ccc(cn2)N2CCN(CC2)C)c(=O)n(c1)C" . "OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1cc(Nc2ccc(cn2)N2CCN(CC2)C)c(=O)n(c1)C" . "ZTUJNJAKTLHBEX-UHFFFAOYSA-N" . "InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)" . "Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F" . "Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F" . "FYXRSVDHGLUMHB-UHFFFAOYSA-N" . "InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)" . "CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F" . "CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F" . "ISPBCAXOSOLFME-UHFFFAOYSA-N" . "InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)" . "Clc1ccc(c(c1)c1nc(Nc2ccncc2)c2c(n1)nccn2)F" . "Clc1ccc(c(c1)c1nc(Nc2ccncc2)c2c(n1)nccn2)F" . "BERLXWPRSBJFHO-UHFFFAOYSA-N" . "InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1F)Cl" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1F)Cl" . "YHUIUSRCUKUUQA-UHFFFAOYSA-N" . "InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)" . "Cc1cc(C(Nc2ccccc2)C)c2n(c1)c(=O)cc(n2)N1CCOCC1" . "Cc1cc(C(Nc2ccccc2)C)c2n(c1)c(=O)cc(n2)N1CCOCC1" . "CPRAGQJXBLMUEL-UHFFFAOYSA-N" . "InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3" . "CCOC(=O)c1cnc2n1cc(cc2)c1cncc(c1)NS(=O)(=O)c1ccccc1" . "CCOC(=O)c1cnc2n1cc(cc2)c1cncc(c1)NS(=O)(=O)c1ccccc1" . "SEKOTFCHZNXZMM-UHFFFAOYSA-N" . "InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3" . "Fc1ccc2c(c1c1nc3cc(sc3c(n1)N1CCOCC1)CN1CCN(CC1)CC1CC1)cc[nH]2" . "Fc1ccc2c(c1c1nc3cc(sc3c(n1)N1CCOCC1)CN1CCN(CC1)CC1CC1)cc[nH]2" . "YDNOHCOYQVZOMC-UHFFFAOYSA-N" . "InChI=1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2" . "N1CCC(CC1)NC1CC1c1ccccc1" . "N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1" . "BASFYRLYJAZPPL-UONOGXRCSA-N" . "InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccnc(c1)N1CCN(CC1)C" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccnc(c1)N1CCN(CC1)C" . "ULNXAWLQFZMIHX-UHFFFAOYSA-N" . "InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)" . "N#Cc1cc(cc(c1)c1ccccc1N1CCN(CC1)CCn1cc(c2c1cccc2)C)C(=O)NCCCN1CCCC1" . "N#Cc1cc(cc(c1)c1ccccc1N1CCN(CC1)CCn1cc(c2c1cccc2)C)C(=O)NCCCN1CCCC1" . "PNYRDVBFYVDJJI-UHFFFAOYSA-N" . "InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)" . "COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N" . "COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N" . "BKCDJTRMYWSXMC-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C(C)C" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C(C)C" . "DPJNKUOXBZSZAI-UHFFFAOYSA-N" . "InChI=1S/C33H43N7O2/c1-7-8-24-15-23(6)37-33(42)28(24)19-35-32(41)27-16-26(17-30-29(27)20-36-40(30)22(4)5)25-9-10-31(34-18-25)39-13-11-38(12-14-39)21(2)3/h9-10,15-18,20-22H,7-8,11-14,19H2,1-6H3,(H,35,41)(H,37,42)" . "CCC(=O)N1CCOc2c(C1)cc(cc2OCC1CCCN(C1)C)c1ccc(c(c1)OC)OC" . "CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C1)C)c1ccc(c(c1)OC)OC" . "YKNAKDFZAWQEEO-IBGZPJMESA-N" . "InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1" . "O=C(C(NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)Cc1cccc(c1)C(F)(F)F)N1CCCC1" . "O=C([C@H](NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)Cc1cccc(c1)C(F)(F)F)N1CCCC1" . "JCKGSPAAPQRPBW-OAQYLSRUSA-N" . "InChI=1S/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/m1/s1" . "CCCOc1ccn2c(c1)c(cc2C(=O)C)c1ccccc1S(=O)(=O)C" . "CCCOc1ccn2c(c1)c(cc2C(=O)C)c1ccccc1S(=O)(=O)C" . "KHWCPNJRJCNVRI-UHFFFAOYSA-N" . "InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3" . "O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCCC1" . "O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCCC1" . "PQOOIERVZAXHBP-UHFFFAOYSA-N" . "InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2" . "CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1" . "CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1" . "DJOVLOYCGXNVPI-UHFFFAOYSA-N" . "InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)" . "OC(=O)c1ccc(c2c1cccn2)O" . "OC(=O)c1ccc(c2c1cccn2)O" . "JGRPKOGHYBAVMW-UHFFFAOYSA-N" . "InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)" . "OC(=O)CNC(=O)c1c(O)c2ccccc2n(c1=O)Cc1ccccc1" . "OC(=O)CNC(=O)c1c(O)c2ccccc2n(c1=O)Cc1ccccc1" . "CAOSCCRYLYQBES-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)" . "O=C(Nc1ccc2c(c1)OCO2)CSc1nnc2n1c(cs2)c1ccc(cc1)C" . "O=C(Nc1ccc2c(c1)OCO2)CSc1nnc2n1c(cs2)c1ccc(cc1)C" . "XYXNYQAJSYUYNZ-UHFFFAOYSA-N" . "InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)" . "OC(=O)C(Cc1cn(c2c1cccc2)C)N" . "OC(=O)[C@@H](Cc1cn(c2c1cccc2)C)N" . "ZADWXFSZEAPBJS-SNVBAGLBSA-N" . "InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1" . "O=NC(=c1[nH]onc1NCCNS(=O)(=O)N)Nc1ccc(c(c1)Br)F" . "O=N/C(=c/1/[nH]onc1NCCNS(=O)(=O)N)/Nc1ccc(c(c1)Br)F" . "YPBKTZBXSBLTDK-PKNBQFBNSA-N" . "InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16-17,19H,3-4H2,(H,15,20)(H2,14,22,23)/b11-9+" . "CCN1C(=O)CCCc2c1ccc(c2OC)Nc1ncc(c(n1)NC1C2C=CC(C1C(=O)N)C2)Cl" . "CCN1C(=O)CCCc2c1ccc(c2OC)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)Cl" . "GLGNXYJARSMNGJ-VKTIVEEGSA-N" . "InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1" . "Clc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N" . "Clc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N" . "CQNCHLJHIGRPDA-UHFFFAOYSA-N" . "InChI=1S/C14H9Cl2N5OS/c15-6-1-2-7(8(16)5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20)" . "COc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N" . "COc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N" . "VCUXVXLUOHDHKK-UHFFFAOYSA-N" . "InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)" . "NC(=O)c1ccc(cc1)c1[nH]c(c(n1)c1ccccn1)c1ccc2c(c1)OCO2" . "NC(=O)c1ccc(cc1)c1[nH]c(c(n1)c1ccccn1)c1ccc2c(c1)OCO2" . "FHYUGAJXYORMHI-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)" . "N#Cc1ncc(nc1OC(CN(C)C)C)Nc1ncc(c(c1)OC)c1cnn(c1)C" . "N#Cc1ncc(nc1O[C@@H](CN(C)C)C)Nc1ncc(c(c1)OC)c1cnn(c1)C" . "IENLGMOXAQMNEH-CYBMUJFWSA-N" . "InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1" . "CCOC(=O)c1c(C(=CN)C#N)c2c(n1C)c(Cl)c(cc2)Cl" . "CCOC(=O)c1c(/C(=C/N)/C#N)c2c(n1C)c(Cl)c(cc2)Cl" . "CXJCGSPAPOTTSF-VURMDHGXSA-N" . "InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-" . "Clc1ccccc1Nc1nc2c(cccc2c2c1ccnc2)c1[nH]cnn1" . "Clc1ccccc1Nc1nc2c(cccc2c2c1ccnc2)c1[nH]cnn1" . "WNOHFJIMKSDPHP-UHFFFAOYSA-N" . "InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)" . "CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)NC(=O)C(CC2(C)C)NC(=O)N1CCCC1)F" . "CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)NC(=O)[C@@H](CC2(C)C)NC(=O)N1CCCC1)F" . "HGSNUBHWAMMKIR-JOCHJYFZSA-N" . "InChI=1S/C29H32ClFN8O3/c1-29(2)14-22(36-28(42)39-11-4-5-12-39)26(41)35-21-13-16(9-10-18(21)29)34-27-33-15-19(30)24(38-27)37-23-17(25(40)32-3)7-6-8-20(23)31/h6-10,13,15,22H,4-5,11-12,14H2,1-3H3,(H,32,40)(H,35,41)(H,36,42)(H2,33,34,37,38)/t22-/m1/s1" . "COc1n[nH]c2c1cc(cn2)NC(=O)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)F" . "COc1n[nH]c2c1cc(cn2)NC(=O)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)F" . "WGFNXGPBPIJYLI-UHFFFAOYSA-N" . "InChI=1S/C20H14F3N5O4S/c1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)5-6-15(17(16)23)28-33(30,31)12-4-2-3-10(21)7-12/h2-9,28H,1H3,(H,25,29)(H,24,26,27)" . "O=C(c1ccccc1)Cc1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1nccc2" . "O=C(c1ccccc1)Cc1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1nccc2" . "CDVMXMZPDJHSCC-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O/c27-20(15-5-2-1-3-6-15)12-14-8-9-16-13-19(24-18(16)11-14)22-21-17(25-26-22)7-4-10-23-21/h1-11,13,24H,12H2,(H,25,26)" . "CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)N(CC)C(=O)CCC2(C)C)F" . "CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)N(CC)C(=O)CCC2(C)C)F" . "KHBUKOVUBUJCGM-UHFFFAOYSA-N" . "InChI=1S/C26H28ClFN6O2/c1-5-34-20-13-15(9-10-17(20)26(2,3)12-11-21(34)35)31-25-30-14-18(27)23(33-25)32-22-16(24(36)29-4)7-6-8-19(22)28/h6-10,13-14H,5,11-12H2,1-4H3,(H,29,36)(H2,30,31,32,33)" . "COc1ccc2c(c1)CC(NC2)C(=O)Nc1ccc(cc1OCC1CCN(CC1)C)c1c[nH]nc1" . "COc1ccc2c(c1)C[C@@H](NC2)C(=O)Nc1ccc(cc1OCC1CCN(CC1)C)c1c[nH]nc1" . "GFWDPXHTWJXOEI-RUZDIDTESA-N" . "InChI=1S/C27H33N5O3/c1-32-9-7-18(8-10-32)17-35-26-13-19(22-15-29-30-16-22)4-6-24(26)31-27(33)25-12-21-11-23(34-2)5-3-20(21)14-28-25/h3-6,11,13,15-16,18,25,28H,7-10,12,14,17H2,1-2H3,(H,29,30)(H,31,33)/t25-/m1/s1" . "Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccnc(c1)N1CCNCC1)C(F)(F)F" . "Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccnc(c1)N1CCNCC1)C(F)(F)F" . "AHZCYZMNFBGXAC-UHFFFAOYSA-N" . "InChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32)" . "CN1CCN(CC1)c1ccc(cn1)c1cnc2c(c1)N(CCN2)Cc1cc(Cl)ccc1Cl" . "CN1CCN(CC1)c1ccc(cn1)c1cnc2c(c1)N(CCN2)Cc1cc(Cl)ccc1Cl" . "CSYSNPSPLOLFFI-UHFFFAOYSA-N" . "InChI=1S/C24H26Cl2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29)" . "Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)C(F)(F)F" . "Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)C(F)(F)F" . "JVVGHVJDZJSKRA-UHFFFAOYSA-N" . "InChI=1S/C31H33ClF3N5O/c32-25-7-8-27(31(33,34)35)24(17-25)20-40-16-11-36-29-28(40)18-23(19-37-29)21-3-5-22(6-4-21)30(41)39-14-9-26(10-15-39)38-12-1-2-13-38/h3-8,17-19,26H,1-2,9-16,20H2,(H,36,37)" . "O=C(C(c1ccccc1)NC1CC1)Nc1cc2cc[nH]c(=O)c2cc1Cl" . "O=C(C(c1ccccc1)NC1CC1)Nc1cc2cc[nH]c(=O)c2cc1Cl" . "SKYALJGMRAGHEN-UHFFFAOYSA-N" . "InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)" . "NC(Cc1c[nH]c2c1cccc2)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2" . "N[C@@H](Cc1c[nH]c2c1cccc2)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2" . "YWTBGJGMTBHQTM-IBGZPJMESA-N" . "InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1" . "Cc1cnc(nc1NCc1ccc(cc1)n1nncc1)c1ccccc1C(C)C" . "Cc1cnc(nc1NCc1ccc(cc1)n1nncc1)c1ccccc1C(C)C" . "VUIRVWPJNKZOSS-UHFFFAOYSA-N" . "InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)" . "CN1CCN(CC1)c1ccc(cc1)Nc1nc(c(s1)C(=O)c1ccc2c(c1)OCCO2)N" . "CN1CCN(CC1)c1ccc(cc1)Nc1nc(c(s1)C(=O)c1ccc2c(c1)OCCO2)N" . "YGEYFDLYGXSZCP-UHFFFAOYSA-N" . "InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)" . "CNCc1ccc(c(c1)NC(=O)c1ccc(cc1)Nc1nc2ccccc2c(n1)c1ccccc1)C" . "CNCc1ccc(c(c1)NC(=O)c1ccc(cc1)Nc1nc2ccccc2c(n1)c1ccccc1)C" . "KLRRGBHZCJLIEL-UHFFFAOYSA-N" . "InChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35)" . "COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O" . "COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O" . "AQNDDEOPVVGCPG-UHFFFAOYSA-N" . "InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3" . "N#Cc1ccc(cc1)NC(=O)NC1CCN(C(C1)c1nc2c([nH]1)cccc2)C" . "N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C" . "SFNSLLSYNZWZQG-VQIMIIECSA-N" . "InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1" . "OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC" . "OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC" . "ZADWXQMNNVICKB-UHFFFAOYSA-N" . "InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)" . "CC1OC(C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F" . "C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F" . "VZZJRYRQSPEMTK-CALCHBBNSA-N" . "InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+" . "CC1CNC2C(C1)OC1(C2C)CCC2C(=C(C1)C)CC1C2CCC2C1(C)CCC(C2)NS(=O)(=O)C" . "C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C" . "HZLFFNCLTRVYJG-WWGOJCOQSA-N" . "InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1" . "OCCCOc1cc(ccc1NC(=O)C1COc2c(C1)cc(cc2)OC)c1c[nH]nc1" . "OCCCOc1cc(ccc1NC(=O)[C@@H]1COc2c(C1)cc(cc2)OC)c1c[nH]nc1" . "YHIPVWFQESXDIE-KRWDZBQOSA-N" . "InChI=1S/C23H25N3O5/c1-29-19-4-6-21-16(10-19)9-17(14-31-21)23(28)26-20-5-3-15(18-12-24-25-13-18)11-22(20)30-8-2-7-27/h3-6,10-13,17,27H,2,7-9,14H2,1H3,(H,24,25)(H,26,28)/t17-/m0/s1" . "O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1ccc(cc1)N1CCOCC1" . "O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1ccc(cc1)N1CCOCC1" . "CJPMSUUANYLPET-UHFFFAOYSA-N" . "InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)" . "COc1cc(cc(c1OC)OC)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2" . "COc1cc(cc(c1OC)OC)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2" . "UQHKXSZPEUNUDH-UHFFFAOYSA-N" . "InChI=1S/C24H21N3O3/c1-28-21-10-16(11-22(29-2)23(21)30-3)17-9-18-19(13-27-24(18)26-12-17)14-4-5-20-15(8-14)6-7-25-20/h4-13,25H,1-3H3,(H,26,27)" . "OCCCn1cnc2c1cc(cc2)c1c2CCCn2nc1c1ccccn1" . "OCCCn1cnc2c1cc(cc2)c1c2CCCn2nc1c1ccccn1" . "SYCWRTUPLPDKDX-UHFFFAOYSA-N" . "InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2" . "c1ccc(cc1)c1c(oc2c1c(NCCc1ccccc1)ncn2)c1ccc(cc1)OCCN1CCCC1" . "c1ccc(cc1)c1c(oc2c1c(NCCc1ccccc1)ncn2)c1ccc(cc1)OCCN1CCCC1" . "CYXPHNZJEDAZDD-UHFFFAOYSA-N" . "InChI=1S/C32H32N4O2/c1-3-9-24(10-4-1)17-18-33-31-29-28(25-11-5-2-6-12-25)30(38-32(29)35-23-34-31)26-13-15-27(16-14-26)37-22-21-36-19-7-8-20-36/h1-6,9-16,23H,7-8,17-22H2,(H,33,34,35)" . "COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(c1)c1cc(C#N)ccc1OC" . "COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(c1)c1cc(C#N)ccc1OC" . "GOMSKBLQVUFHHS-UHFFFAOYSA-N" . "InChI=1S/C25H27N5O2/c1-29-10-12-30(13-11-29)22-6-5-20(16-24(22)32-3)28-25-15-19(8-9-27-25)21-14-18(17-26)4-7-23(21)31-2/h4-9,14-16H,10-13H2,1-3H3,(H,27,28)" . "Nc1nccc(n1)c1[nH]c(c(c1)C(=O)N)c1ccccc1" . "Nc1nccc(n1)c1[nH]c(c(c1)C(=O)N)c1ccccc1" . "VOQXQYXTZZHYBF-UHFFFAOYSA-N" . "InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)" . "COc1cc(ccc1N1CCN(CC1)C)Nc1ccc2c(n1)n(nc2)c1ccc(cc1)OC" . "COc1cc(ccc1N1CCN(CC1)C)Nc1ccc2c(n1)n(nc2)c1ccc(cc1)OC" . "LZQFMCFJCXQTTG-UHFFFAOYSA-N" . "InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)22-10-5-19(16-23(22)33-3)27-24-11-4-18-17-26-31(25(18)28-24)20-6-8-21(32-2)9-7-20/h4-11,16-17H,12-15H2,1-3H3,(H,27,28)" . "CN1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2" . "CN1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2" . "XBGWAKUQSRNWMA-UHFFFAOYSA-N" . "InChI=1S/C26H24N6/c1-30-12-14-31(15-13-30)21-8-6-19(7-9-21)20-16-28-26-24(17-29-32(26)18-20)22-10-11-27-25-5-3-2-4-23(22)25/h2-11,16-18H,12-15H2,1H3" . "CC(Cn1c2ccc(cc2c2c1c1CCc3c(c1c1c2CNC1=O)cn(n3)C)Nc1ncccn1)C" . "CC(Cn1c2ccc(cc2c2c1c1CCc3c(c1c1c2CNC1=O)cn(n3)C)Nc1ncccn1)C" . "AEULIVPVIDOLIN-UHFFFAOYSA-N" . "InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)" . "OC(=O)c1ccc2c(c1)cc1c(c2)nc(c(n1)c1cccs1)c1cccs1" . "OC(=O)c1ccc2c(c1)cc1c(c2)nc(c(n1)c1cccs1)c1cccs1" . "GXGUVSXXUOACEX-UHFFFAOYSA-N" . "InChI=1S/C21H12N2O2S2/c24-21(25)13-6-5-12-10-15-16(11-14(12)9-13)23-20(18-4-2-8-27-18)19(22-15)17-3-1-7-26-17/h1-11H,(H,24,25)" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1cccc(c1)c1c[nH]c2c1cc(cn2)c1cccc(c1)N" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1cccc(c1)c1c[nH]c2c1cc(cn2)c1cccc(c1)N" . "QQTPMHCXBYRWFQ-UHFFFAOYSA-N" . "InChI=1S/C27H19F4N5O/c28-23-8-7-18(27(29,30)31)12-24(23)36-26(37)35-20-6-2-4-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-3-1-5-19(32)9-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)" . "Clc1cc(ccc1C(=O)N1CCNCC1(C)C)Nc1nc(cn2c1ncc2c1c[nH]nc1)C1CC1" . "Clc1cc(ccc1C(=O)N1CCNCC1(C)C)Nc1nc(cn2c1ncc2c1c[nH]nc1)C1CC1" . "MEQKJTZVPMNRIL-UHFFFAOYSA-N" . "InChI=1S/C25H27ClN8O/c1-25(2)14-27-7-8-34(25)24(35)18-6-5-17(9-19(18)26)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)" . "COc1cc(ccc1O)c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)cccc2N1CCN(CC1)C" . "COc1cc(ccc1O)c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)cccc2N1CCN(CC1)C" . "KKMLIJHOUUKCSW-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)21-5-3-4-19-25(21)28-26(27-19)24-18-8-6-16(14-20(18)29-30-24)17-7-9-22(33)23(15-17)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)" . "O=C(C1CNCC1c1ccc(cc1)Cl)Nc1cc2cc[nH]c(=O)c2cc1Cl" . "O=C([C@@H]1CNC[C@H]1c1ccc(cc1)Cl)Nc1cc2cc[nH]c(=O)c2cc1Cl" . "XBFAFSAUQFDEOK-JKSUJKDBSA-N" . "InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m0/s1" . "CCN(CCOc1ccc(cc1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl)CC" . "CCN(CCOc1ccc(cc1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl)CC" . "IFPPYSWJNWHOLQ-UHFFFAOYSA-N" . "InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)" . "O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2" . "O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2" . "PPRRDFIXUUSXRA-UHFFFAOYSA-N" . "InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)" . "NC(Cc1c[nH]c2c1cccc2)COc1cnc(c(c1)c1ccc2c(c1)c(C)[nH]n2)c1cocc1" . "N[C@@H](Cc1c[nH]c2c1cccc2)COc1cnc(c(c1)c1ccc2c(c1)c(C)[nH]n2)c1cocc1" . "XONRTPBYDAFIRW-NRFANRHFSA-N" . "InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1" . "COc1cc(cc(c1OC)OC)c1cnc(c(n1)N1CCC(C(C1C)C)C(=O)O)N" . "COc1cc(cc(c1OC)OC)c1cnc(c(n1)N1CC[C@H]([C@H]([C@H]1C)C)C(=O)O)N" . "YPKLAWUGDWZBMV-OUCADQQQSA-N" . "InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1" . "OCCSc1ccccc1c1nnc2n1cc(cc2)Sc1ccccc1CNC(=O)Nc1cc(nn1c1ccc(c(c1)Cl)O)C(C)(C)C" . "OCCSc1ccccc1c1nnc2n1cc(cc2)Sc1ccccc1CNC(=O)Nc1cc(nn1c1ccc(c(c1)Cl)O)C(C)(C)C" . "VGEXRDWWPSGZDH-UHFFFAOYSA-N" . "InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)" . "O=c1[nH]cnc2c1cc([nH]2)c1ccnc(c1)C=Cc1ccc(cc1)CN1CCOCC1" . "O=c1[nH]cnc2c1cc([nH]2)c1ccnc(c1)/C=C/c1ccc(cc1)CN1CCOCC1" . "AWZFCQRICMFIES-AATRIKPKSA-N" . "InChI=1S/C24H23N5O2/c30-24-21-14-22(28-23(21)26-16-27-24)19-7-8-25-20(13-19)6-5-17-1-3-18(4-2-17)15-29-9-11-31-12-10-29/h1-8,13-14,16H,9-12,15H2,(H2,26,27,28,30)/b6-5+" . "O=C1NCCc2c1cc([nH]2)c1ccnc(c1)c1cnc2c(c1)cccc2" . "O=C1NCCc2c1cc([nH]2)c1ccnc(c1)c1cnc2c(c1)cccc2" . "OWFLADWRSCINST-UHFFFAOYSA-N" . "InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)" . "OCC(C(CO)O)Nc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "OC[C@@H]([C@@H](CO)O)Nc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "KRIWIRSMQRQYJG-DLBZAZTESA-N" . "InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1" . "NC(=O)c1ccc2c(c1)n(C)c(=O)n2C" . "NC(=O)c1ccc2c(c1)n(C)c(=O)n2C" . "BRBLVCVSNVSPMT-UHFFFAOYSA-N" . "InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)" . "CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2" . "CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2" . "XHCPCYVQXFHJAU-UHFFFAOYSA-N" . "InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)" . "COCCOc1cnc(nc1c1c[nH]c2c1cc(C#CC(O)(C)C)cc2)N" . "COCCOc1cnc(nc1c1c[nH]c2c1cc(C#CC(O)(C)C)cc2)N" . "ZZIZLABGKZWVAW-UHFFFAOYSA-N" . "InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)" . "CCSCc1ccc2c(c1)c1c3C(=O)NCc3c3c4c1n2C1CC(C(O1)(n4c1c3cc(cc1)CSCC)C)(O)C(=O)OC" . "CCSCc1ccc2c(c1)c1c3C(=O)NCc3c3c4c1n2[C@H]1C[C@]([C@](O1)(n4c1c3cc(cc1)CSCC)C)(O)C(=O)OC" . "SCMLRESZJCKCTC-KMYQRJGFSA-N" . "InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1" . "CCC(c1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1sc(c2)C(F)F)(CC)O" . "CCC(c1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1sc(c2)C(F)F)(CC)O" . "CQZZZUNOWZUNNG-UHFFFAOYSA-N" . "InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)" . "N#Cc1cnn2c1nc(cc2NC1CC1)c1c[nH]c2c1cc(cc2)NC(=O)C" . "N#Cc1cnn2c1nc(cc2NC1CC1)c1c[nH]c2c1cc(cc2)NC(=O)C" . "UZZGMJZTCZOSGC-UHFFFAOYSA-N" . "InChI=1S/C20H17N7O/c1-11(28)24-14-4-5-17-15(6-14)16(10-22-17)18-7-19(25-13-2-3-13)27-20(26-18)12(8-21)9-23-27/h4-7,9-10,13,22,25H,2-3H2,1H3,(H,24,28)" . "OCCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc(n1C)C(=O)NC)C" . "OCCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc(n1C)C(=O)NC)C" . "SUXYGJZMCWKJJI-UHFFFAOYSA-N" . "InChI=1S/C30H33F3N6O3/c1-20-4-5-22(16-21(20)7-9-25-18-35-27(37(25)3)29(42)34-2)28(41)36-24-8-6-23(26(17-24)30(31,32)33)19-39-12-10-38(11-13-39)14-15-40/h4-6,8,16-18,40H,10-15,19H2,1-3H3,(H,34,42)(H,36,41)" . "OCCOC(c1ccc(cc1)n1nnc2c1cnc(n2)Nc1ccn(n1)CC)(C)C" . "OCCOC(c1ccc(cc1)n1nnc2c1cnc(n2)Nc1ccn(n1)CC)(C)C" . "XNAMZBCMLZQBIC-UHFFFAOYSA-N" . "InChI=1S/C20H24N8O2/c1-4-27-10-9-17(25-27)22-19-21-13-16-18(23-19)24-26-28(16)15-7-5-14(6-8-15)20(2,3)30-12-11-29/h5-10,13,29H,4,11-12H2,1-3H3,(H,21,22,23,25)" . "COc1cc2c3[nH]nc(c3C(=O)c2cc1OC)NCc1c(Cl)cccc1Cl" . "COc1cc2c3[nH]nc(c3C(=O)c2cc1OC)NCc1c(Cl)cccc1Cl" . "UUDNGLPFGYJJQX-UHFFFAOYSA-N" . "InChI=1S/C19H15Cl2N3O3/c1-26-14-6-9-10(7-15(14)27-2)18(25)16-17(9)23-24-19(16)22-8-11-12(20)4-3-5-13(11)21/h3-7H,8H2,1-2H3,(H2,22,23,24)" . "O=C1NC(=NC1=Cc1ccc2c(c1)OCO2)Nc1ccccc1" . "O=C1NC(=N/C/1=C/c1ccc2c(c1)OCO2)Nc1ccccc1" . "PGPHHJBZEGSUNE-JYRVWZFOSA-N" . "InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)/b13-8-" . "COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1)Cl" . "COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1)Cl" . "BGXZIBSLBRKDTP-UHFFFAOYSA-N" . "InChI=1S/C17H12ClN5OS/c1-24-15(19)17-23-12-7-6-11-13(14(12)25-17)16(21-8-20-11)22-10-4-2-9(18)3-5-10/h2-8,19H,1H3,(H,20,21,22)" . "COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1F)Br" . "COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1F)Br" . "ZBELDPMWYXDLNY-UHFFFAOYSA-N" . "InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)" . "Clc1cccc(c1)NC(=O)c1ccc(c(c1)C#Cc1cnc2n(c1)ncc2)C" . "Clc1cccc(c1)NC(=O)c1ccc(c(c1)C#Cc1cnc2n(c1)ncc2)C" . "PSBGROLQRNSAMY-UHFFFAOYSA-N" . "InChI=1S/C22H15ClN4O/c1-15-5-7-18(22(28)26-20-4-2-3-19(23)12-20)11-17(15)8-6-16-13-24-21-9-10-25-27(21)14-16/h2-5,7,9-14H,1H3,(H,26,28)" . "Oc1cccc(c1)C(C(=O)N)NC1=C(C(=O)C1=O)Nc1ccncc1" . "Oc1cccc(c1)C(C(=O)N)NC1=C(C(=O)C1=O)Nc1ccncc1" . "GPXKVULNYYNGDP-UHFFFAOYSA-N" . "InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)" . "Clc1cc(CNc2ncncc2c2ccc3c(c2)OCO3)cc(c1)Cl" . "Clc1cc(CNc2ncncc2c2ccc3c(c2)OCO3)cc(c1)Cl" . "JQSJAVBMIMDUFO-UHFFFAOYSA-N" . "InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)" . "Clc1cc(CNc2nccc(n2)c2ccc3c(c2)OCO3)cc(c1)Cl" . "Clc1cc(CNc2nccc(n2)c2ccc3c(c2)OCO3)cc(c1)Cl" . "FFJGYBJUQCZAAY-UHFFFAOYSA-N" . "InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)" . "CNC(=O)c1ccc(cc1F)Nc1nccc(n1)c1cnc(n1C(C)C)C" . "CNC(=O)c1ccc(cc1F)Nc1nccc(n1)c1cnc(n1C(C)C)C" . "OCUYCOQPRGFQEV-UHFFFAOYSA-N" . "InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)" . "CC1OC(C)CN(C1)C(c1nsc(c1)Nc1nc(C)cn2c1ncc2c1c[nH]nc1)C" . "C[C@@H]1O[C@H](C)CN(C1)[C@@H](c1nsc(c1)Nc1nc(C)cn2c1ncc2c1c[nH]nc1)C" . "QBWKPGNFQQJGFY-QLFBSQMISA-N" . "InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1" . "NCCc1cn(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cc(Cl)cc2" . "NCCc1cn(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cc(Cl)cc2" . "UPHCEKNUUNYTFE-UHFFFAOYSA-N" . "InChI=1S/C22H17ClN4O2/c23-13-5-6-17-15(9-13)16(10-25-17)19-20(22(29)26-21(19)28)27-11-12(7-8-24)14-3-1-2-4-18(14)27/h1-6,9-11,25H,7-8,24H2,(H,26,28,29)" . "Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1" . "Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1" . "UGXVRWRXHWTSCU-UHFFFAOYSA-N" . "InChI=1S/C20H20ClN5/c21-16-4-2-5-17(14-16)24-20-23-8-7-19(25-20)15-3-1-6-18(13-15)26-11-9-22-10-12-26/h1-8,13-14,22H,9-12H2,(H,23,24,25)" . "N#CC1c2c3ccc(c(c3n(c2C(=O)NC21CCNCC2)C)Cl)Cl" . "N#CC1c2c3ccc(c(c3n(c2C(=O)NC21CCNCC2)C)Cl)Cl" . "OWAWOKKHZNRHGV-UHFFFAOYSA-N" . "InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)" . "O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1cn[nH]c1" . "O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1cn[nH]c1" . "WCDLCPLAAKUJNY-UHFFFAOYSA-N" . "InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22)" . "COc1cnc(cc1c1cc2c([nH]1)CCNC2=O)COc1ccc(cc1C)F" . "COc1cnc(cc1c1cc2c([nH]1)CCNC2=O)COc1ccc(cc1C)F" . "WYOFSHLAFWJJAZ-UHFFFAOYSA-N" . "InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)" . "OCCNC(=O)c1cccc(c1)N=C(N1CCN(CC1C)c1ncnc2c1c(C)c[nH]2)NC#N" . "OCCNC(=O)c1cccc(c1)N=C(N1CCN(C[C@@H]1C)c1ncnc2c1c(C)c[nH]2)NC#N" . "BCNLLDVODACBHT-INIZCTEOSA-N" . "InChI=1S/C23H27N9O2/c1-15-11-26-20-19(15)21(29-14-28-20)31-7-8-32(16(2)12-31)23(27-13-24)30-18-5-3-4-17(10-18)22(34)25-6-9-33/h3-5,10-11,14,16,33H,6-9,12H2,1-2H3,(H,25,34)(H,27,30)(H,26,28,29)/t16-/m0/s1" . "O=C(Nc1scc(n1)c1ccncc1)NCc1cccc(c1)O" . "O=C(Nc1scc(n1)c1ccncc1)NCc1cccc(c1)O" . "GDVRVPIXWXOKQO-UHFFFAOYSA-N" . "InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)" . "N#CNC(=Nc1cccc(c1)Br)N1CCN(CC1C)c1ncnc2c1c(C)c[nH]2" . "N#CNC(=Nc1cccc(c1)Br)N1CCN(C[C@@H]1C)c1ncnc2c1c(C)c[nH]2" . "KSECQYDNQYAZMQ-AWEZNQCLSA-N" . "InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1" . "CN1CCC(CC1)Oc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)OC(c1ccccc1Cl)C" . "CN1CCC(CC1)Oc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1Cl)C" . "GILNGUYOGYOZMP-MRXNPFEDSA-N" . "InChI=1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1" . "ClCC(=O)c1ccc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2" . "ClCC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2" . "SEPHEVMRHYRRLS-GHXNOFRVSA-N" . "InChI=1S/C15H11ClN2O2/c16-8-14(19)9-3-4-13-11(6-9)12(15(20)18-13)7-10-2-1-5-17-10/h1-7,17H,8H2,(H,18,20)/b12-7-" . "C=CC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F" . "C=CC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F" . "BTWVWABAWDKQNJ-UHFFFAOYSA-N" . "InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cncc2n1ccn2)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cncc2n1ccn2)C" . "VSJSIOZQNZPUAV-UHFFFAOYSA-N" . "InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)" . "Oc1ccc(c(c1)Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C" . "Oc1ccc(c(c1)Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C" . "LKLIRPMEYRVLFV-UHFFFAOYSA-N" . "InChI=1S/C17H17N5O3S/c1-11-5-6-13(23)10-15(11)21-16-7-8-19-17(22-16)20-12-3-2-4-14(9-12)26(18,24)25/h2-10,23H,1H3,(H2,18,24,25)(H2,19,20,21,22)" . "C=CC(=O)NCC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F" . "C=CC(=O)NCC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F" . "SMOPKEHQPPXRSH-UHFFFAOYSA-N" . "InChI=1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)(H,40,45)(H,36,37,41)" . "Nc1ncc(cc1c1nc2c(o1)cc(cc2)N1CCCC1)c1cnn(c1)C1CCNCC1" . "Nc1ncc(cc1c1nc2c(o1)cc(cc2)N1CCCC1)c1cnn(c1)C1CCNCC1" . "MWVKLRSIDOXBSE-UHFFFAOYSA-N" . "InChI=1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)" . "Oc1ccc(cc1)C(=O)NC1CNCCCC1OC(=O)c1cc(O)c(c(c1)O)C(=O)c1c(O)cccc1C(=O)O" . "Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(c(c1)O)C(=O)c1c(O)cccc1C(=O)O" . "XYUFCXJZFZPEJD-XMSQKQJNSA-N" . "InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1" . "COc1ccccc1n1c(cn2c1nc1c2c(=O)[nH]c(=O)n1C)c1cc(O)ccc1C" . "COc1ccccc1n1c(cn2c1nc1c2c(=O)[nH]c(=O)n1C)c1cc(O)ccc1C" . "JTWMOWRMSZZHDR-UHFFFAOYSA-N" . "InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)" . "OC(=O)Cn1c(nc2c1c(Br)c(Br)c(c2Br)Br)N(C)C" . "OC(=O)Cn1c(nc2c1c(Br)c(Br)c(c2Br)Br)N(C)C" . "PHAOTASRLQMKBE-UHFFFAOYSA-N" . "InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)" . "COc1c(ccc2c1CCC(CC2)N1CCOCC1)Nc1ncc(c(n1)NC1C2C=CC(C1C(=O)N)C2)Cl" . "COc1c(ccc2c1CC[C@H](CC2)N1CCOCC1)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)Cl" . "LAJAFFLJAJMYLK-CVOKMOJFSA-N" . "InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1" . "CC(Oc1[nH]nc(c1)n1cnc2c1nc(cc2)NC(c1ccc(cn1)F)C)C" . "CC(Oc1[nH]nc(c1)n1cnc2c1nc(cc2)N[C@H](c1ccc(cn1)F)C)C" . "FZBVNCFBCNXULH-LBPRGKRZSA-N" . "InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1" . "OCC(c1nc(c(s1)c1cnc(c(c1)OC(c1cc(F)ccc1n1nccn1)C)N)C)(O)C" . "OC[C@](c1nc(c(s1)c1cnc(c(c1)O[C@@H](c1cc(F)ccc1n1nccn1)C)N)C)(O)C" . "DIXMBHMNEHPFCX-MCMMXHMISA-N" . "InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1" . "Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(n1)C" . "Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(n1)C" . "WFRLFWGASBLYTC-UHFFFAOYSA-N" . "InChI=1S/C17H16ClN5OS/c1-9-5-4-6-12(18)15(9)23-16(24)13-8-19-17(25-13)22-14-7-10(2)20-11(3)21-14/h4-8H,1-3H3,(H,23,24)(H,19,20,21,22)" . "CN(C1CCC(CC1)Nc1nc(ncc1c1onc(c1)C)Nc1cc(Cl)cc(c1)Cl)C" . "CN(C1CCC(CC1)Nc1nc(ncc1c1onc(c1)C)Nc1cc(Cl)cc(c1)Cl)C" . "ZTSOUDMNSOYCTG-UHFFFAOYSA-N" . "InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)" . "Fc1cccc(c1)c1ccc2c(n1)c(N)ncn2" . "Fc1cccc(c1)c1ccc2c(n1)c(N)ncn2" . "TWTLUQDFSDYZKO-UHFFFAOYSA-N" . "InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cn2c(n1)ccc(c2)n1cncc1" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cn2c(n1)ccc(c2)n1cncc1" . "SMJAMOAYGIVKRI-UHFFFAOYSA-N" . "InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)" . "COCCN(c1nccc(n1)Nc1n[nH]c(c1)C1CC1)Cc1cc(F)cc2c1cn[nH]2" . "COCCN(c1nccc(n1)Nc1n[nH]c(c1)C1CC1)Cc1cc(F)cc2c1cn[nH]2" . "FTGUWURNNBVUBC-UHFFFAOYSA-N" . "InChI=1S/C21H23FN8O/c1-31-7-6-30(12-14-8-15(22)9-18-16(14)11-24-27-18)21-23-5-4-19(26-21)25-20-10-17(28-29-20)13-2-3-13/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H,24,27)(H2,23,25,26,28,29)" . "CCn1c(nc2c1c(CN1CCNCC1)cnc2)c1nonc1N" . "CCn1c(nc2c1c(CN1CCNCC1)cnc2)c1nonc1N" . "OXZLPOLYTISTQY-UHFFFAOYSA-N" . "InChI=1S/C15H20N8O/c1-2-23-13-10(9-22-5-3-17-4-6-22)7-18-8-11(13)19-15(23)12-14(16)21-24-20-12/h7-8,17H,2-6,9H2,1H3,(H2,16,21)" . "CCn1c(nc2c1c(CNC1CCNCC1)cnc2)c1nonc1N" . "CCn1c(nc2c1c(CNC1CCNCC1)cnc2)c1nonc1N" . "MBCJUIJWPYUEBX-UHFFFAOYSA-N" . "InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)" . "O=Cc1c(O)ccc2c1oc(=O)c1c2CCN(C1)C(=N)N" . "O=Cc1c(O)ccc2c1oc(=O)c1c2CCN(C1)C(=N)N" . "YPBDMIVAGFLWPR-UHFFFAOYSA-N" . "InChI=1S/C14H13N3O4/c15-14(16)17-4-3-7-8-1-2-11(19)10(6-18)12(8)21-13(20)9(7)5-17/h1-2,6,19H,3-5H2,(H3,15,16)" . "N#Cc1cnn2c1nc(Nc1ccc(c(c1)NC(=O)C)C)cc2NC1CC1" . "N#Cc1cnn2c1nc(Nc1ccc(c(c1)NC(=O)C)C)cc2NC1CC1" . "GDSQVLMYYCNAGP-UHFFFAOYSA-N" . "InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25)" . "NCCOCCOCCOCCOc1ccc(cc1)NC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1" . "NCCOCCOCCOCCOc1ccc(cc1)NC1=N/C(=C/c2ccc3c(c2)OCO3)/C(=O)N1" . "ZBYBDKHFLSHGBP-QNGOZBTKSA-N" . "InChI=1S/C25H30N4O7/c26-7-8-31-9-10-32-11-12-33-13-14-34-20-4-2-19(3-5-20)27-25-28-21(24(30)29-25)15-18-1-6-22-23(16-18)36-17-35-22/h1-6,15-16H,7-14,17,26H2,(H2,27,28,29,30)/b21-15-" . "Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O" . "Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O" . "MUOKSQABCJCOPU-UHFFFAOYSA-N" . "InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)" . "CC(=O)c1nc(c[nH]1)C(C(C(CO)O)O)O" . "CC(=O)c1nc(c[nH]1)[C@H]([C@@H]([C@@H](CO)O)O)O" . "CQSIXFHVGKMLGQ-BWZBUEFSSA-N" . "InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1" . "Fc1cc(cc(c1C)c1ccn2c(c1)nnc2C1(C)CC1)C(=O)NC1CC1" . "Fc1cc(cc(c1C)c1ccn2c(c1)nnc2C1(C)CC1)C(=O)NC1CC1" . "REGFSKAVJRCHTE-UHFFFAOYSA-N" . "InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27)" . "OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C)C)C" . "ITOFPJRDSCGOSA-KZLRUDJFSA-N" . "InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1" . "N#Cc1cc(F)c(nc1NC(c1ccc(cn1)F)C)Nc1n[nH]c(c1)C" . "N#Cc1cc(F)c(nc1N[C@H](c1ccc(cn1)F)C)Nc1n[nH]c(c1)C" . "HIHOEGPXVVKJPP-JTQLQIEISA-N" . "InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1" . "N#Cc1ncc2nc1OCCCCOc1c(NC(=O)N2)cc(Cl)c(c1)NCc1cncs1" . "N#Cc1ncc2nc1OCCCCOc1c(NC(=O)N2)cc(Cl)c(c1)NCc1cncs1" . "AZTMYWWWILJAKW-UHFFFAOYSA-N" . "InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)" . "COc1ccc(cc1)c1cnc2n(c1)ncc2c1cccc2c1cccn2" . "COc1ccc(cc1)c1cnc2n(c1)ncc2c1cccc2c1cccn2" . "FVRYPYDPKSZGNS-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3" . "O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2" . "O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2" . "SZVLDZCYMADNPG-UHFFFAOYSA-N" . "InChI=1S/C25H21N5O/c1-2-4-24-22(3-1)21(9-10-26-24)23-16-28-30-17-19(15-27-25(23)30)18-5-7-20(8-6-18)29-11-13-31-14-12-29/h1-10,15-17H,11-14H2" . "COc1cc(Cl)c(c(c1)Cl)c1cc(nc(n1)c1cnccn1)c1cnc(s1)NC(=O)C" . "COc1cc(Cl)c(c(c1)Cl)c1cc(nc(n1)c1cnccn1)c1cnc(s1)NC(=O)C" . "XACSASLXEAYEEO-UHFFFAOYSA-N" . "InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)" . "OCC1OC(O)C(C(C1O)O)N" . "OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)N" . "MSWZFWKMSRAUBD-QZABAPFNSA-N" . "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1" . "CNC(=O)Nc1ncc(s1)c1nc(nc(c1)c1c(C)cc(cc1C)OC(CC)CC)c1nccnc1" . "CNC(=O)Nc1ncc(s1)c1nc(nc(c1)c1c(C)cc(cc1C)OC(CC)CC)c1nccnc1" . "RYXLLTGGHCFCFK-UHFFFAOYSA-N" . "InChI=1S/C26H29N7O2S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-30-26(36-22)33-25(34)27-5)31-24(32-20)21-13-28-8-9-29-21/h8-14,17H,6-7H2,1-5H3,(H2,27,30,33,34)" . "CCNC(=O)Nc1ncc(s1)c1cc(nc(n1)c1cnccn1)c1c(C)cc(cc1C)OC" . "CCNC(=O)Nc1ncc(s1)c1cc(nc(n1)c1cnccn1)c1c(C)cc(cc1C)OC" . "WUCYRTXFXRZKSV-UHFFFAOYSA-N" . "InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)" . "CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)N1CCNCC1" . "CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)N1CCNCC1" . "GHBUPSVATJKTRR-UHFFFAOYSA-N" . "InChI=1S/C30H30F3N5O/c1-34-29(39)15-10-25-20-28(38(36-25)27-13-11-26(12-14-27)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-9,11-14,20,35H,10,15-19H2,1H3,(H,34,39)" . "Oc1ccc(cc1C)c1nc(=O)[nH]c(c1)c1ccccc1" . "Oc1ccc(cc1C)c1nc(=O)[nH]c(c1)c1ccccc1" . "MHPMAOLCNNEBOA-UHFFFAOYSA-N" . "InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)" . "FCCC1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N" . "FCC[C@H]1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N" . "LCBAQTCTQXHTJG-ZETCQYMHSA-N" . "InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1" . "Clc1ccc2c(c1)c1[nH]c(nc(=O)c1o2)C1CCCN1" . "Clc1ccc2c(c1)c1[nH]c(nc(=O)c1o2)[C@@H]1CCCN1" . "JJWLXRKVUJDJKG-VIFPVBQESA-N" . "InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1" . "Ic1ccc2c(c1)C(=Cc1cc(Br)c(c(c1)Br)O)C(=O)N2" . "Ic1ccc2c(c1)/C(=C/c1cc(Br)c(c(c1)Br)O)/C(=O)N2" . "LMXYVLFTZRPNRV-KMKOMSMNSA-N" . "InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-" . "NC(=O)c1cnccc1Nc1nc(ncc1OCCS(=O)(=O)C)c1nn(c2c1CCC2)Cc1ccccc1F" . "NC(=O)c1cnccc1Nc1nc(ncc1OCCS(=O)(=O)C)c1nn(c2c1CCC2)Cc1ccccc1F" . "FFVPQWXBEUUBMF-UHFFFAOYSA-N" . "InChI=1S/C26H26FN7O4S/c1-39(36,37)12-11-38-22-14-30-26(32-25(22)31-20-9-10-29-13-18(20)24(28)35)23-17-6-4-8-21(17)34(33-23)15-16-5-2-3-7-19(16)27/h2-3,5,7,9-10,13-14H,4,6,8,11-12,15H2,1H3,(H2,28,35)(H,29,30,31,32)" . "N#Cc1cccc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1" . "N#Cc1cccc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1" . "BHTWDJBVZQBRKP-UHFFFAOYSA-N" . "InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCCN(C)C" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCCN(C)C" . "HDLPONLLJOSAIM-UHFFFAOYSA-N" . "InChI=1S/C28H31F2N7O2/c1-4-38-19-14-22(29)21(23(30)15-19)17-37-24-7-5-6-20(24)26(35-37)28-32-16-25(39-13-12-36(2)3)27(34-28)33-18-8-10-31-11-9-18/h8-11,14-16H,4-7,12-13,17H2,1-3H3,(H,31,32,33,34)" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCC1(CO)COC1" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCC1(CO)COC1" . "WIVMUEFNJYZIOY-UHFFFAOYSA-N" . "InChI=1S/C29H30F2N6O4/c1-2-40-19-10-22(30)21(23(31)11-19)13-37-24-5-3-4-20(24)26(36-37)28-33-12-25(41-17-29(14-38)15-39-16-29)27(35-28)34-18-6-8-32-9-7-18/h6-12,38H,2-5,13-17H2,1H3,(H,32,33,34,35)" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OC" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OC" . "UJORPFQWUKFXIE-UHFFFAOYSA-N" . "InChI=1S/C25H24F2N6O2/c1-3-35-16-11-19(26)18(20(27)12-16)14-33-21-6-4-5-17(21)23(32-33)25-29-13-22(34-2)24(31-25)30-15-7-9-28-10-8-15/h7-13H,3-6,14H2,1-2H3,(H,28,29,30,31)" . "CN1CCC(CC1)Nc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)c(Br)c[nH]c2=O" . "CN1CCC(CC1)Nc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)c(Br)c[nH]c2=O" . "SXWMIXPJPNCXQQ-UHFFFAOYSA-N" . "InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)" . "Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F" . "Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F" . "FJCDSQATIJKQKA-UHFFFAOYSA-N" . "InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)" . "CN1CCN(CC1)Cc1ccc(cc1)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2" . "CN1CCN(CC1)Cc1ccc(cc1)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2" . "QKKIWEILHCXECO-UHFFFAOYSA-N" . "InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)" . "OC(=O)CC(C(=O)O)N" . "OC(=O)C[C@@H](C(=O)O)N" . "CKLJMWTZIZZHCS-REOHCLBHSA-N" . "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1" . "OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)Br)c2c(c1O)cccc2" . "OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)Br)c2c(c1O)cccc2" . "WUGANDSUVKXMEC-UHFFFAOYSA-N" . "InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)" . "OCCn1ncc(c1)C=Cc1n[nH]c2c1cc(cc2)OC(c1c(Cl)cncc1Cl)C" . "OCCn1ncc(c1)/C=C/c1n[nH]c2c1cc(cc2)O[C@@H](c1c(Cl)cncc1Cl)C" . "GKJCVYLDJWTWQU-CXLRFSCWSA-N" . "InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1" . "CC(c1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C)C" . "CC(c1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C)C" . "FUGQNAUKABUDQI-UHFFFAOYSA-N" . "InChI=1S/C18H25N5S2/c1-12(2)14-9-13-15(20-11-21-16(13)24-14)22-5-7-23(8-6-22)17-19-10-18(3,4)25-17/h9,11-12H,5-8,10H2,1-4H3" . "N#Cc1ccc(cc1)c1csc(n1)NN=C1CCCC1" . "N#Cc1ccc(cc1)c1csc(n1)NN=C1CCCC1" . "XAEJIFARBQJLML-UHFFFAOYSA-N" . "InChI=1S/C15H14N4S/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13/h5-8,10H,1-4H2,(H,17,19)" . "O=C1CCc2c(O1)ccc1c2cccc1" . "O=C1CCc2c(O1)ccc1c2cccc1" . "ISFPDBUKMJDAJH-UHFFFAOYSA-N" . "InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2" . "NC(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl" . "NC(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl" . "FUZYTVDVLBBXDL-UHFFFAOYSA-N" . "InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)" . "N#CC(=Cc1ccc(o1)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc2c1cccn2" . "N#C/C(=C/c1ccc(o1)c1cc(Cl)ccc1Cl)/C(=O)Nc1cccc2c1cccn2" . "SVENPFFEMUOOGK-SDNWHVSQSA-N" . "InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+" . "COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C" . "COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C" . "ONDYALNGTUAJDX-UHFFFAOYSA-N" . "InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3" . "CC(OC(=O)C(N)C)COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C" . "C[C@@H](OC(=O)[C@@H](N)C)COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C" . "LTEJRLHKIYCEOX-OCCSQVGLSA-N" . "InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1" . "CN1CCN(CC1)CC(=O)N(c1ccc(cc1)NC(=C1C(=O)Nc2c1ccc(c2)C(=O)O)c1ccccc1)C" . "CN1CCN(CC1)CC(=O)N(c1ccc(cc1)N/C(=C/1/C(=O)Nc2c1ccc(c2)C(=O)O)/c1ccccc1)C" . "KEHNCEDHZGQSNP-DQSJHHFOSA-N" . "InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-" . "CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(cc1)NC(=O)Nc1noc(c1)C(C)(C)C" . "CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(cc1)NC(=O)Nc1noc(c1)C(C)(C)C" . "JVCWPUFNLFSKFS-UHFFFAOYSA-N" . "InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)" . "CN(Cc1ccc(cc1)c1nc2c3n1CCNC(=O)c3ccc2)C" . "CN(Cc1ccc(cc1)c1nc2c3n1CCNC(=O)c3ccc2)C" . "SEKJSSBJKFLZIT-UHFFFAOYSA-N" . "InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)" . "NCCN(c1ncc2c(n1)c(cs2)C(=O)Nc1cc2cccnc2cc1OC)C" . "NCCN(c1ncc2c(n1)c(cs2)C(=O)Nc1cc2cccnc2cc1OC)C" . "BUJSZRICYLPWCM-UHFFFAOYSA-N" . "InChI=1S/C20H20N6O2S/c1-26(7-5-21)20-23-10-17-18(25-20)13(11-29-17)19(27)24-15-8-12-4-3-6-22-14(12)9-16(15)28-2/h3-4,6,8-11H,5,7,21H2,1-2H3,(H,24,27)" . "NCC1CCN(CC1)c1ccc(cc1NC(=O)c1cnn2c1ncc(c2)O)Cl" . "NCC1CCN(CC1)c1ccc(cc1NC(=O)c1cnn2c1ncc(c2)O)Cl" . "BNVZRFQNZWYPQH-UHFFFAOYSA-N" . "InChI=1S/C19H21ClN6O2/c20-13-1-2-17(25-5-3-12(8-21)4-6-25)16(7-13)24-19(28)15-10-23-26-11-14(27)9-22-18(15)26/h1-2,7,9-12,27H,3-6,8,21H2,(H,24,28)" . "NC(=O)C(CC1CCc2c1c1c(ncnc1s2)OC1CCC(CC1)N1CCOCC1)O" . "NC(=O)[C@H](C[C@H]1CCc2c1c1c(ncnc1s2)O[C@@H]1CC[C@H](CC1)N1CCOCC1)O" . "ZSMULWAVKYFPSS-FPCVCCKLSA-N" . "InChI=1S/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14-,15-,16+/m1/s1" . "NC(=O)CC1CCc2c1c1c(ncnc1s2)OC1CCC(CC1)N1CCOCC1" . "NC(=O)C[C@H]1CCc2c1c1c(ncnc1s2)O[C@@H]1CC[C@H](CC1)N1CCOCC1" . "VZOLINZYKOLXAC-RBSFLKMASA-N" . "InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1" . "Clc1ccc2n(c1)c(cn2)c1cccc(n1)NC1CNCC1" . "Clc1ccc2n(c1)c(cn2)c1cccc(n1)NC1CNCC1" . "NAMQQRIYZTTYCJ-UHFFFAOYSA-N" . "InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)" . "COc1cc(ccc1NC(=O)c1cccc(n1)c1ccn[nH]1)N1CCOCC1" . "COc1cc(ccc1NC(=O)c1cccc(n1)c1ccn[nH]1)N1CCOCC1" . "RAFFLDOJXQAJPF-UHFFFAOYSA-N" . "InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)" . "OC(=O)c1ccc(cc1)C1=Nc2cc(ccc2N(c2c1cc1c(c2)C(C)(C)CCC1(C)C)C)[N+](=O)[O-]" . "OC(=O)c1ccc(cc1)C1=Nc2cc(ccc2N(c2c1cc1c(c2)C(C)(C)CCC1(C)C)C)[N+](=O)[O-]" . "SXKPGYKPQPYJER-UHFFFAOYSA-N" . "InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)" . "COc1cc2C=CCC(O)C(O)C(=O)C=CCC(OC(=O)c2c(c1)O)C" . "COc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/C[C@@H](OC(=O)c2c(c1)O)C" . "NEQZWEXWOFPKOT-BYRRXHGESA-N" . "InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1" . "O=C(c1cccnc1)Nc1nn2c(n1)cc(cc2NC1CC1)C(F)(F)F" . "O=C(c1cccnc1)Nc1nn2c(n1)cc(cc2NC1CC1)C(F)(F)F" . "XUKGFHHTSUKORV-UHFFFAOYSA-N" . "InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)" . "O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1" . "O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1" . "IHLVSLOZUHKNMQ-UHFFFAOYSA-N" . "InChI=1S/C26H27N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18H,3,5,11-17H2" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)Oc1ccnc2c1cc[nH]2)C" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)Oc1ccnc2c1cc[nH]2)C" . "SMPGEBOIKULBCT-UHFFFAOYSA-N" . "InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)" . "CCNc1nc(ncc1C(F)(F)F)Nc1cc(F)c(cc1OC)C(=O)N1CCOCC1" . "CCNc1nc(ncc1C(F)(F)F)Nc1cc(F)c(cc1OC)C(=O)N1CCOCC1" . "XCFLWTZSJYBCPF-UHFFFAOYSA-N" . "InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1)C" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)Nc1ccc2c(c1)NC(=O)/C/2=C/c1ccc[nH]1)C" . "YYDUWLSETXNJJT-MTJSOVHGSA-N" . "InChI=1S/C28H21F4N5O2/c1-15-4-6-19(35-27(39)37-25-11-16(28(30,31)32)5-9-22(25)29)13-23(15)34-18-7-8-20-21(12-17-3-2-10-33-17)26(38)36-24(20)14-18/h2-14,33-34H,1H3,(H,36,38)(H2,35,37,39)/b21-12-" . "NCCCCCC(=O)O" . "NCCCCCC(=O)O" . "SLXKOJJOQWFEFD-UHFFFAOYSA-N" . "InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)" . "NC1CCCCC1Nc1ncc(c(n1)Nc1cccc(c1)n1nccn1)C(=O)N" . "N[C@H]1CCCC[C@H]1Nc1ncc(c(n1)Nc1cccc(c1)n1nccn1)C(=O)N" . "TXGKRVFSSHPBAJ-JKSUJKDBSA-N" . "InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1" . "COCCOc1ccc2c(c1)ncn2c1ccc2c(n1)c(ccc2)N1CCC(CC1)N" . "COCCOc1ccc2c(c1)ncn2c1ccc2c(n1)c(ccc2)N1CCC(CC1)N" . "DEEOXSOLTLIWMG-UHFFFAOYSA-N" . "InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3" . "COc1cc(OC)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(n1)Nc1ccc(cc1)N1CCN(CC1)C" . "COc1cc(OC)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(n1)Nc1ccc(cc1)N1CCN(CC1)C" . "NBTNHSGBRGTFJS-UHFFFAOYSA-N" . "InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)" . "Nc1ncnc2c1c(cn2C1CC(C1)CN1CCC1)c1cccc(c1)OCc1ccccc1" . "Nc1ncnc2c1c(cn2C1CC(C1)CN1CCC1)c1cccc(c1)OCc1ccccc1" . "AECDBHGVIIRMOI-UHFFFAOYSA-N" . "InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)" . "Cc1c(cccc1c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(=O)N1CCOCC1)NC(=O)c1ccc(cc1)C(C)(C)C" . "Cc1c(cccc1c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(=O)N1CCOCC1)NC(=O)c1ccc(cc1)C(C)(C)C" . "JIFCFQDXHMUPGP-UHFFFAOYSA-N" . "InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)" . "OCCNC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F" . "OCCNC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F" . "IIQUYGWWHIHOCF-UHFFFAOYSA-N" . "InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)" . "CN(Cc1cccc(c1)NC(=C1C(=O)Nc2c1ccc(c2)C(=O)N)c1ccccc1)C" . "CN(Cc1cccc(c1)N/C(=C/1/C(=O)Nc2c1ccc(c2)C(=O)N)/c1ccccc1)C" . "FSZPIAXLCCQFCM-FCQUAONHSA-N" . "InChI=1S/C25H24N4O2/c1-29(2)15-16-7-6-10-19(13-16)27-23(17-8-4-3-5-9-17)22-20-12-11-18(24(26)30)14-21(20)28-25(22)31/h3-14,27H,15H2,1-2H3,(H2,26,30)(H,28,31)/b23-22-" . "O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1" . "O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1" . "UKBGBACORPRCGG-UHFFFAOYSA-N" . "InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)" . "OC(=O)C1(CCC(CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1" . "OC(=O)C1(CCC(CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1" . "LCVIRAZGMYMNNT-UHFFFAOYSA-N" . "InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)" . "Cc1csc(c1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Oc1ncccc1c1ccnc(n1)N" . "Cc1csc(c1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Oc1ncccc1c1ccnc(n1)N" . "IVUGFMLRJOCGAS-UHFFFAOYSA-N" . "InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)" . "Cc1cc(C(Nc2ccccc2C(=O)O)C)c2n(c1)c(=O)cc(n2)N1CCOCC1" . "Cc1cc([C@H](Nc2ccccc2C(=O)O)C)c2n(c1)c(=O)cc(n2)N1CCOCC1" . "IRTDIKMSKMREGO-OAHLLOKOSA-N" . "InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1" . "CN(CC=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c(c1)C)Nc1nccc(n1)c1cccnc1)C" . "CN(C/C=C/C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c(c1)C)Nc1nccc(n1)c1cccnc1)C" . "GJFCSAPFHAXMSF-UXBLZVDNSA-N" . "InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)N1CCC(CC1)O" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)N1CCC(CC1)O" . "QAPAJIZPZGWAND-UHFFFAOYSA-N" . "InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)" . "O=C(N1CCN(CC1)c1ccc(cc1)c1ncccn1)CN1CCC(C1)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccncc1" . "O=C(N1CCN(CC1)c1ccc(cc1)c1ncccn1)CN1CC[C@H](C1)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccncc1" . "HDAJDNHIBCDLQF-RUZDIDTESA-N" . "InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1" . "COCC(NC1CCC(CC1)Nc1ncc(c(c1)c1cccc(n1)NCC1(C#N)CCOCC1)Cl)C" . "COC[C@H](N[C@@H]1CC[C@H](CC1)Nc1ncc(c(c1)c1cccc(n1)NCC1(C#N)CCOCC1)Cl)C" . "XWQVQSXLXAXOPJ-NJDAHSKKSA-N" . "InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34)/t19-,20-,21-/m1/s1" . "CN(CC=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C" . "CN(C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C" . "OBJNFLYHUXWUPF-IZZDOVSWSA-N" . "InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+" . "CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C" . "CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C" . "SCFMWQIQBVZOQR-UHFFFAOYSA-N" . "InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)" . "Clc1cccc(c1)OCc1nn(c2c1c(N)ncn2)C1CCOCC1" . "Clc1cccc(c1)OCc1nn(c2c1c(N)ncn2)C1CCOCC1" . "AUMDBEHGJRZSOO-UHFFFAOYSA-N" . "InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)" . "COc1cc(OC)ccc1N(C(=O)Nc1c(C)cccc1C)c1ncnc(c1)Nc1ccc(cc1)N1CCN(CC1)C" . "COc1cc(OC)ccc1N(C(=O)Nc1c(C)cccc1C)c1ncnc(c1)Nc1ccc(cc1)N1CCN(CC1)C" . "UYUHRKLITDJEHB-UHFFFAOYSA-N" . "InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)" . "CCC(CNc1ccnc(n1)c1cc(ccc1O)c1cnn(c1)C)N" . "CC[C@H](CNc1ccnc(n1)c1cc(ccc1O)c1cnn(c1)C)N" . "SCJXQZZYGYLKJG-CQSZACIVSA-N" . "InChI=1S/C18H22N6O/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23)/t14-/m1/s1" . "CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C" . "CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C" . "SDGJBAUIGHSMRI-UHFFFAOYSA-N" . "InChI=1S/C25H29ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)" . "CN(CC1CCC(CC1)Nc1c(cnc2c1[nH]c(=C1C=C(Cl)C(=O)C(=C1)Cl)cc2)C(=O)C)C" . "CN(CC1CCC(CC1)Nc1c(cnc2c1[nH]c(=C1C=C(Cl)C(=O)C(=C1)Cl)cc2)C(=O)C)C" . "WZJUACDPTWDYSI-UHFFFAOYSA-N" . "InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,30H,4-7,13H2,1-3H3,(H,28,29)" . "CC1CNc2c(C(=O)N1)sc1c2c2ccc(nc2cc1)c1ccc(nc1)C" . "C[C@@H]1CNc2c(C(=O)N1)sc1c2c2ccc(nc2cc1)c1ccc(nc1)C" . "CMWRPDHVGMHLSZ-GFCCVEGCSA-N" . "InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1" . "COc1cc2[nH]c(=C3C=C(F)C=CC3=O)nc(c2cc1OC)NC1CNCC1C(O)(C)C" . "COc1cc2[nH]/c(=C/3/C=C(F)C=CC3=O)/nc(c2cc1OC)N[C@@H]1CNC[C@H]1C(O)(C)C" . "IXTQNANZDPZION-GSOOIIRJSA-N" . "InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25-26,30H,10-11H2,1-4H3,(H,27,28)/b22-14-/t15-,17-/m1/s1" . "Cn1ncc(c1)c1nc2c3c1c[nH][nH]c(=O)c3cc(c2)NC(=O)C(C1CCCCC1)N" . "Cn1ncc(c1)c1nc2c3c1c[nH][nH]c(=O)c3cc(c2)NC(=O)[C@@H](C1CCCCC1)N" . "YFNWWNRZJGMDBR-LJQANCHMSA-N" . "InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,24H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1" . "O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1" . "O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1" . "DUIHHZKTCSNTGM-UHFFFAOYSA-N" . "InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)" . "O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1CC(C)OC(C1)C" . "O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1C[C@H](C)O[C@@H](C1)C" . "SCELLOWTHJGVIC-BGYRXZFFSA-N" . "InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+" . "OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1" . "OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1" . "WVSBGSNVCDAMCF-UHFFFAOYSA-N" . "InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)" . "NCC1CCC(CC1)C(=O)O" . "NC[C@@H]1CC[C@H](CC1)C(=O)O" . "GYDJEQRTZSCIOI-LJGSYFOKSA-N" . "InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-" . "CN(CCCn1c(NC(=O)c2ccc3c(c2)n2C(C)CCNC(=O)c2c3)nc2c1cccc2)C" . "CN(CCCn1c(NC(=O)c2ccc3c(c2)n2[C@H](C)CCNC(=O)c2c3)nc2c1cccc2)C" . "ZHMXXVNQAFCXKK-QGZVFWFLSA-N" . "InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1" . "CC(CCN1C(C)C(=O)N(c2c1nc(nc2)Nc1cc(F)c(c(c1)F)O)C)C" . "CC(CCN1C(C)C(=O)N(c2c1nc(nc2)Nc1cc(F)c(c(c1)F)O)C)C" . "DTEKTGDVSARYDS-UHFFFAOYSA-N" . "InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)" . "CCn1c(nc2c1cc(nc2)Oc1cccc(c1)NC(=O)c1ccc(cc1)OCCN1CCOCC1)c1nonc1N" . "CCn1c(nc2c1cc(nc2)Oc1cccc(c1)NC(=O)c1ccc(cc1)OCCN1CCOCC1)c1nonc1N" . "YOVNFNXUCOWYSG-UHFFFAOYSA-N" . "InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)" . "CCc1cncnc1N1CCN(CC1)Cc1nc2c([nH]1)cc(cc2)C(F)(F)F" . "CCc1cncnc1N1CCN(CC1)Cc1nc2c([nH]1)cc(cc2)C(F)(F)F" . "FBLPQCAQRNSVHB-UHFFFAOYSA-N" . "InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)" . "OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C" . "O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C" . "NWIUTZDMDHAVTP-KRWDZBQOSA-N" . "InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1" . "COCCn1c(=O)sn(c1=O)CC" . "COCCn1c(=O)sn(c1=O)CC" . "NCTIMJFWDQCLDW-UHFFFAOYSA-N" . "InChI=1S/C7H12N2O3S/c1-3-9-6(10)8(4-5-12-2)7(11)13-9/h3-5H2,1-2H3" . "CCCCn1c(=O)sn(c1=O)CC" . "CCCCn1c(=O)sn(c1=O)CC" . "WTFFYZGCISALRI-UHFFFAOYSA-N" . "InChI=1S/C8H14N2O2S/c1-3-5-6-9-7(11)10(4-2)13-8(9)12/h3-6H2,1-2H3" . "Nc1cnccc1N" . "Nc1cnccc1N" . "OYTKINVCDFNREN-UHFFFAOYSA-N" . "InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)" . "CCC(C(NCC(CS)N)COC(C(=O)NC(C(=O)O)CCS(=O)(=O)C)Cc1ccccc1)C" . "CC[C@@H]([C@H](NC[C@H](CS)N)CO[C@H](C(=O)N[C@H](C(=O)O)CCS(=O)(=O)C)Cc1ccccc1)C" . "SIEXHGZWGJLLAC-OSTWSGHESA-N" . "InChI=1S/C23H39N3O6S2/c1-4-16(2)20(25-13-18(24)15-33)14-32-21(12-17-8-6-5-7-9-17)22(27)26-19(23(28)29)10-11-34(3,30)31/h5-9,16,18-21,25,33H,4,10-15,24H2,1-3H3,(H,26,27)(H,28,29)/t16-,18+,19-,20+,21-/m0/s1" . "Brc1ccc(cc1)Cn1cncc1Cn1cc(c(c1)c1cccc2c1cccc2)C(=O)N1CCOCC1" . "Brc1ccc(cc1)Cn1cncc1Cn1cc(c(c1)c1cccc2c1cccc2)C(=O)N1CCOCC1" . "GUUIRIMAQGOLHT-UHFFFAOYSA-N" . "InChI=1S/C30H27BrN4O2/c31-24-10-8-22(9-11-24)17-35-21-32-16-25(35)18-33-19-28(27-7-3-5-23-4-1-2-6-26(23)27)29(20-33)30(36)34-12-14-37-15-13-34/h1-11,16,19-21H,12-15,17-18H2" . "CN1CCN(CC1)C(=O)c1cn(cc1c1cccc2c1cccc2)Cc1cncn1CC1=CC2C(C=C1)OCO2" . "CN1CCN(CC1)C(=O)c1cn(cc1c1cccc2c1cccc2)Cc1cncn1CC1=CC2C(C=C1)OCO2" . "VZWZHIJGBPHRDI-UHFFFAOYSA-N" . "InChI=1S/C32H33N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21,30-31H,11-14,17-18,22H2,1H3" . "FCCc1ccc(cc1C(=C)NC(C(=O)OC(C)C)CCSC)NCC1CCC(N1)SC(=O)c1cccnc1" . "FCCc1ccc(cc1C(=C)N[C@H](C(=O)OC(C)C)CCSC)NC[C@@H]1CC[C@@H](N1)SC(=O)c1cccnc1" . "GIJNHMGFNKZBIR-URORMMCBSA-N" . "InChI=1S/C29H39FN4O3S2/c1-19(2)37-28(35)26(12-15-38-4)33-20(3)25-16-23(8-7-21(25)11-13-30)32-18-24-9-10-27(34-24)39-29(36)22-6-5-14-31-17-22/h5-8,14,16-17,19,24,26-27,32-34H,3,9-13,15,18H2,1-2,4H3/t24-,26-,27-/m0/s1" . "N#Cc1ccc2c(c1)CN(C(CN2Cc1[nH]cnc1)Cc1ccccc1)S(=O)(=O)c1cccs1" . "N#Cc1ccc2c(c1)CN([C@@H](CN2Cc1[nH]cnc1)Cc1ccccc1)S(=O)(=O)c1cccs1" . "OLCWFLWEHWLBTO-HSZRJFAPSA-N" . "InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1" . "Clc1ccc(cc1)C(c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1)Cl)N" . "Clc1ccc(cc1)[C@](c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1)Cl)N" . "PLHJCIYEEKOWNM-HHHXNRCGSA-N" . "InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1" . "Clc1cc(Br)c2c(c1)CCc1c(C2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br" . "Clc1cc(Br)c2c(c1)CCc1c([C@@H]2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br" . "DHMTURDWPRKSOA-RUZDIDTESA-N" . "InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1" . "CN(CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(cc1)Cl)C" . "CN(CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(cc1)Cl)C" . "WEEYMZOUPNIHLG-UHFFFAOYSA-N" . "InChI=1S/C20H30ClN3O2S3/c1-23(2)12-14-29-28-13-9-22-20(26)16-7-10-24(11-8-16)19(25)15-27-18-5-3-17(21)4-6-18/h3-6,16H,7-15H2,1-2H3,(H,22,26)" . "COc1cc(Cl)c(cc1NCC(=O)N1CCC(CC1)NS(=O)(=O)C=C)I" . "COc1cc(Cl)c(cc1NCC(=O)N1CCC(CC1)NS(=O)(=O)C=C)I" . "ZGUSBCDCZNBNQT-UHFFFAOYSA-N" . "InChI=1S/C16H21ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h3,8-9,11,19-20H,1,4-7,10H2,2H3" . "CCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(cc1Cl)Cl" . "CCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(cc1Cl)Cl" . "XXJPOZZXKREAIA-UHFFFAOYSA-N" . "InChI=1S/C17H22Cl2N2O3/c1-2-3-16(22)20-13-6-8-21(9-7-13)17(23)11-24-15-5-4-12(18)10-14(15)19/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,22)" . "C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(I)c(cc1O)Cl" . "C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(I)c(cc1O)Cl" . "JFIFBWVNHLXJFY-UHFFFAOYSA-N" . "InChI=1S/C15H17ClIN3O3/c1-2-14(22)19-3-5-20(6-4-19)15(23)9-18-12-8-11(17)10(16)7-13(12)21/h2,7-8,18,21H,1,3-6,9H2" . "O=C1NC(=O)C(=C1Nc1ccc(c(c1)Cl)O)c1ccccc1[N+](=O)[O-]" . "O=C1NC(=O)C(=C1Nc1ccc(c(c1)Cl)O)c1ccccc1[N+](=O)[O-]" . "PQCXVIPXISBFPN-UHFFFAOYSA-N" . "InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)" . "O=C1Nc2cccnc2c2c(C1)c1cc(Br)ccc1[nH]2" . "O=C1Nc2cccnc2c2c(C1)c1cc(Br)ccc1[nH]2" . "NTSBZVCEIVPKBJ-UHFFFAOYSA-N" . "InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)" . "Fc1ccc(cc1)CCNC1=C(C(=O)N(C1=O)C)c1c(C)[nH]c2c1cccc2" . "Fc1ccc(cc1)CCNC1=C(C(=O)N(C1=O)C)c1c(C)[nH]c2c1cccc2" . "ZKJAZFUFPPSFCO-UHFFFAOYSA-N" . "InChI=1S/C22H20FN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3" . "Clc1ccc(c(c1)Cl)c1nc(NCCNc2ccc(c(n2)N)[N+](=O)[O-])ncc1n1cncc1" . "Clc1ccc(c(c1)Cl)c1nc(NCCNc2ccc(c(n2)N)[N+](=O)[O-])ncc1n1cncc1" . "MDZCSIDIPDZWKL-UHFFFAOYSA-N" . "InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)" . "Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O" . "Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O" . "OOUGLTULBSNHNF-UHFFFAOYSA-N" . "InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)" . "Clc1ccc(c(c1)Cl)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C" . "Clc1ccc(c(c1)Cl)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C" . "JCSGFHVFHSKIJH-UHFFFAOYSA-N" . "InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)" . "N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1ncc([nH]1)C" . "N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1ncc([nH]1)C" . "AQGNHMOJWBZFQQ-UHFFFAOYSA-N" . "InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)" . "Nc1ncnc2c1c(nn2C1CCCC1)c1cnc2c(c1)cc[nH]2" . "Nc1ncnc2c1c(nn2C1CCCC1)c1cnc2c(c1)cc[nH]2" . "NVRXTLZYXZNATH-UHFFFAOYSA-N" . "InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)" . "Brc1ccc2n(c1)c(C=NN(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2" . "Brc1ccc2n(c1)c(/C=N/N(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2" . "QTHCAAFKVUWAFI-DJKKODMXSA-N" . "InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+" . "CCN1CCN(CC1)CC(=O)Nc1ccc(c2c1c1ccccc1s2)c1cccc2c1oc(cc2=O)N1CCOCC1" . "CCN1CCN(CC1)CC(=O)Nc1ccc(c2c1c1ccccc1s2)c1cccc2c1oc(cc2=O)N1CCOCC1" . "AATCBLYHOUOCTO-UHFFFAOYSA-N" . "InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)" . "O=c1cc(oc2c1cccc2c1cccc2c1sc1c2cccc1)N1CCOCC1" . "O=c1cc(oc2c1cccc2c1cccc2c1sc1c2cccc1)N1CCOCC1" . "JAMULYFATHSZJM-UHFFFAOYSA-N" . "InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2" . "CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1" . "CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1" . "BYWWNRBKPCPJMG-UHFFFAOYSA-N" . "InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)" . "O=C(c1cc(c(cc1O)Cl)S(=O)(=O)N)Nc1c(C)cccc1C" . "O=C(c1cc(c(cc1O)Cl)S(=O)(=O)N)Nc1c(C)cccc1C" . "MTZBBNMLMNBNJL-UHFFFAOYSA-N" . "InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)" . "CNc1nc(cc(n1)c1ccc2c(c1)[nH]nc2N)N1CC(CCC1C)C(=O)NC1CCCCC1" . "CNc1nc(cc(n1)c1ccc2c(c1)[nH]nc2N)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1" . "QLPHOXTXAKOFMU-WBVHZDCISA-N" . "InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1" . "O=C(Nc1cc(nn1c1ccccc1)C)Nc1ccc(c(c1)F)F" . "O=C(Nc1cc(nn1c1ccccc1)C)Nc1ccc(c(c1)F)F" . "IEKSMUSSYJUQMY-UHFFFAOYSA-N" . "InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)" . "O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCc1cnc[nH]1)Br" . "O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCc1cnc[nH]1)Br" . "DMMILYKXNCVKOJ-UHFFFAOYSA-N" . "InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)" . "NCC(=O)Nc1ccc(cc1)n1nc(cc1c1ccc2c(c1)ccc1c2cccc1)C(F)(F)F" . "NCC(=O)Nc1ccc(cc1)n1nc(cc1c1ccc2c(c1)ccc1c2cccc1)C(F)(F)F" . "YULUCECVQOCQFQ-UHFFFAOYSA-N" . "InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)" . "CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2" . "CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2" . "AKCRNFFTGXBONI-UHFFFAOYSA-N" . "InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3" . "CNCc1ccc(cc1)c1noc(c1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C" . "CNCc1ccc(cc1)c1noc(c1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C" . "JZCWLJDSIRUGIN-UHFFFAOYSA-N" . "InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)" . "CC(=CCNCCNC1C2CC3CC1CC(C2)C3)CCC=C(C)C" . "C/C(=C/CNCCNC1C2CC3CC1CC(C2)C3)/CCC=C(C)C" . "JFIBVDBTCDTBRH-REZTVBANSA-N" . "InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+" . "FCC(CC(=O)O)(CCOP(=O)(OP(=O)(O)O)O)O" . "FC[C@](CC(=O)O)(CCOP(=O)(OP(=O)(O)O)O)O" . "YIGLDWRZXXHIGZ-ZCFIWIBFSA-N" . "InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1" . "OC(=O)CC(CP(=O)(CCc1c(Cl)cc(cc1OCc1ccccc1)Cl)O)O" . "OC(=O)C[C@@H](CP(=O)(CCc1c(Cl)cc(cc1OCc1ccccc1)Cl)O)O" . "XKZCNQAYFRBCKR-HNNXBMFYSA-N" . "InChI=1S/C19H21Cl2O6P/c20-14-8-17(21)16(6-7-28(25,26)12-15(22)10-19(23)24)18(9-14)27-11-13-4-2-1-3-5-13/h1-5,8-9,15,22H,6-7,10-12H2,(H,23,24)(H,25,26)/t15-/m0/s1" . "OC(CC(CC(=O)O)O)CCc1c(Cl)cc(cc1OCc1ccccc1)Cl" . "O[C@@H](C[C@H](CC(=O)O)O)CCc1c(Cl)cc(cc1OCc1ccccc1)Cl" . "VWKZOIOUHUHQKZ-HZPDHXFCSA-N" . "InChI=1S/C20H22Cl2O5/c21-14-8-18(22)17(7-6-15(23)10-16(24)11-20(25)26)19(9-14)27-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23-24H,6-7,10-12H2,(H,25,26)/t15-,16-/m1/s1" . "COc1ccc(cc1O)C=CC(=O)O" . "COc1ccc(cc1O)/C=C/C(=O)O" . "QURCVMIEKCOAJU-HWKANZROSA-N" . "InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+" . "OP(=O)(C(P(=O)(O)O)(COc1cccc(c1)c1cccc(c1)c1ccccc1)O)O" . "OP(=O)(C(P(=O)(O)O)(COc1cccc(c1)c1cccc(c1)c1ccccc1)O)O" . "NWIARQRYIRVYCM-UHFFFAOYSA-N" . "InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)" . "OC(P(=O)(O)O)(P(=O)(O)O)Cc1cccc(c1)c1cccc(c1)c1ccccc1" . "OC(P(=O)(O)O)(P(=O)(O)O)Cc1cccc(c1)c1cccc(c1)c1ccccc1" . "YXQQNSYZOQHKHD-UHFFFAOYSA-N" . "InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc2c1oc1c2cccc1)O)O" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc2c1oc1c2cccc1)O)O" . "BYVXAUZOTGITQZ-UHFFFAOYSA-N" . "InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc(c1)NS(=O)(=O)c1ccc2c(c1)cccc2)O)O" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc(c1)NS(=O)(=O)c1ccc2c(c1)cccc2)O)O" . "MZVWVRVNMXTDAK-UHFFFAOYSA-N" . "InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32)" . "COC1CC(CCC1n1cnnn1)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "CO[C@@H]1C[C@@H](CC[C@@H]1n1cnnn1)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "CGTADGCBEXYWNE-JUKNQOCSSA-N" . "InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1" . "Nc1ccc(cn1)c1ccc2c(c1)CN(CCO2)C(=O)c1ccc(c(c1C)F)S(=O)(=O)C" . "Nc1ccc(cn1)c1ccc2c(c1)CN(CCO2)C(=O)c1ccc(c(c1C)F)S(=O)(=O)C" . "LNFBAYSBVQBKFR-UHFFFAOYSA-N" . "InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)" . "O=C(C1CCCN1)Nc1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1" . "O=C([C@@H]1CCCN1)Nc1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1" . "ISOCDPQFIXDIMS-QHCPKHFHSA-N" . "InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m0/s1" . "Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1" . "Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1" . "JLRIJKVMMZEKDF-UHFFFAOYSA-N" . "InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)" . "COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C" . "COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C" . "MMNNTJYFHUDSKL-UHFFFAOYSA-N" . "InChI=1S/C24H19ClN4O4/c1-13-7-9-15(25)12-20(13)29-21(30)16-5-3-4-6-17(16)24(29,32)14-8-10-18-19(11-14)27-22(26-18)28-23(31)33-2/h3-12,32H,1-2H3,(H2,26,27,28,31)" . "OC(=O)c1cc(cc2c1nc(n2Cc1cccc(c1C)C(F)(F)F)C)N1CCOCC1" . "OC(=O)c1cc(cc2c1nc(n2Cc1cccc(c1C)C(F)(F)F)C)N1CCOCC1" . "XTKLTGBKIDQGQL-UHFFFAOYSA-N" . "InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)" . "C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C" . "C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C" . "HUFOZJXAKZVRNJ-UHFFFAOYSA-N" . "InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)" . "NC(=O)CC(C(=O)O)N" . "NC(=O)C[C@@H](C(=O)O)N" . "DCXYFEDJOCDNAF-REOHCLBHSA-N" . "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1" . "FC(c1nc2c(n1c1nc(nc(n1)N1CCOCC1)N1CCOCC1)cccc2)F" . "FC(c1nc2c(n1c1nc(nc(n1)N1CCOCC1)N1CCOCC1)cccc2)F" . "HGVNLRPZOWWDKD-UHFFFAOYSA-N" . "InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2" . "COc1cc(OC)cc(c1)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)OC)C" . "COc1cc(OC)cc(c1)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)OC)C" . "HJSSPYJVWLTYHG-UHFFFAOYSA-N" . "InChI=1S/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36)" . "Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2c(c1)nsn2" . "Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2c(c1)nsn2" . "MQMKRQLTIWPEDM-UHFFFAOYSA-N" . "InChI=1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27)" . "Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(CC1COCCO1)C" . "Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C[C@@H]1COCCO1)C" . "JGEBLDKNWBUGRZ-HXUWFJFHSA-N" . "InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1" . "Oc1ccc(cc1)C1COc2c(C1c1ccc(cc1)O)ccc(c2C)O" . "Oc1ccc(cc1)[C@@H]1COc2c([C@@H]1c1ccc(cc1)O)ccc(c2C)O" . "QVCAATSEPLQVBX-FPOVZHCZSA-N" . "InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1" . "O=C(Nc1cc(Br)c(cc1OCC1CNCCO1)C)Nc1cnc(cn1)C" . "O=C(Nc1cc(Br)c(cc1OC[C@@H]1CNCCO1)C)Nc1cnc(cn1)C" . "SYYBDNPGDKKJDU-ZDUSSCGKSA-N" . "InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1" . "Fc1ccc(cc1)c1nc([nH]c1c1ccc2c(n1)n(CC(C)(C)C)c(n2)N)C(C)(C)C" . "Fc1ccc(cc1)c1nc([nH]c1c1ccc2c(n1)n(CC(C)(C)C)c(n2)N)C(C)(C)C" . "XPPBBJCBDOEXDN-UHFFFAOYSA-N" . "InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)" . "Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1" . "Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1" . "HRJWTAWVFDCTGO-UHFFFAOYSA-N" . "InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)" . "O=C(Cc1ccc(cn1)c1ccc(cc1)OCCN1CCOCC1)NCc1ccccc1" . "O=C(Cc1ccc(cn1)c1ccc(cc1)OCCN1CCOCC1)NCc1ccccc1" . "HUNGUWOZPQBXGX-UHFFFAOYSA-N" . "InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)" . "CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1nccc(c1)Oc1ccc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1nccc(c1)Oc1ccc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "UQRCJCNVNUFYDX-UHFFFAOYSA-N" . "InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)" . "NC(=O)C1CCCN1C(=O)Nc1nc(c(s1)c1ccnc(c1)C(C(F)(F)F)(C)C)C" . "NC(=O)[C@@H]1CCCN1C(=O)Nc1nc(c(s1)c1ccnc(c1)C(C(F)(F)F)(C)C)C" . "STUWGJZDJHPWGZ-LBPRGKRZSA-N" . "InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1" . "CCn1c(cc2c1nc(Nc1nn(c(c1)C)C)c1c2n(C)cn1)C(=O)N(C1CC1)C1CC1" . "CCn1c(cc2c1nc(Nc1nn(c(c1)C)C)c1c2n(C)cn1)C(=O)N(C1CC1)C1CC1" . "JCINBYQJBYJGDM-UHFFFAOYSA-N" . "InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)" . "CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F" . "CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F" . "VNBRGSXVFBYQNN-UHFFFAOYSA-N" . "InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)" . "Fc1ccc(cn1)NC(=O)C1(C)CCCN1c1nc(Nc2n[nH]c(c2)C2CC2)c2n(n1)ccc2" . "Fc1ccc(cn1)NC(=O)[C@]1(C)CCCN1c1nc(Nc2n[nH]c(c2)C2CC2)c2n(n1)ccc2" . "LQVXSNNAFNGRAH-QHCPKHFHSA-N" . "InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1" . "COc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1c1ccc(c(c1)C(F)(F)F)N1CCNCC1)C" . "COc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1c1ccc(c(c1)C(F)(F)F)N1CCNCC1)C" . "BMMXYEBLEBULND-UHFFFAOYSA-N" . "InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3" . "N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)C)(C)C" . "N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)C)(C)C" . "JOGKUKXHTYWRGZ-UHFFFAOYSA-N" . "InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3" . "O=C(Nc1c[nH][nH]c1=C1N=c2c(=N1)ccc(c2)CN1CCOCC1)NC1CC1" . "O=C(Nc1c[nH][nH]/c/1=C/1/N=c2c(=N1)ccc(c2)CN1CCOCC1)NC1CC1" . "VRXXZJLHPWWXIX-ZCXUNETKSA-N" . "InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13,20,25H,2-3,5-8,11H2,(H2,21,24,27)/b18-17-" . "O=C1NC(=O)C(C1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2" . "O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2" . "UCEQXRCJXIVODC-PMACEKPBSA-N" . "InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1" . "CCC1N(C(C)C)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCC(CC1)N1CCN(CC1)CC1CC1" . "CC[C@H]1N(C(C)C)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)N[C@@H]1CC[C@H](CC1)N1CCN(CC1)CC1CC1" . "SXNJFOWDRLKDSF-STROYTFGSA-N" . "InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1" . "Clc1cc2NC(CC3CCCC3)NS(=O)(=O)c2cc1S(=O)(=O)N" . "Clc1cc2NC(CC3CCCC3)NS(=O)(=O)c2cc1S(=O)(=O)N" . "BKYKPTRYDKTTJY-UHFFFAOYSA-N" . "InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)" . "CN1CCN(CC1)c1nc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2" . "CN1CCN(CC1)c1nc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2" . "OAVGBZOFDPFGPJ-UHFFFAOYSA-N" . "InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)" . "O=c1[nH]nc2n1ccc1c2cc(c(n1)c1ccc(cc1)C1(N)CCC1)c1ccccc1" . "O=c1[nH]nc2n1ccc1c2cc(c(n1)c1ccc(cc1)C1(N)CCC1)c1ccccc1" . "ULDXWLCXEDXJGE-UHFFFAOYSA-N" . "InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)" . "COc1cc2c(cc1OCC1CC3C(C1)CN(C3)C)ncnc2Nc1ccc(c(c1F)Cl)Cl" . "COc1cc2c(cc1OCC1C[C@@H]3[C@H](C1)CN(C3)C)ncnc2Nc1ccc(c(c1F)Cl)Cl" . "HVXKQKFEHMGHSL-GOOCMWNKSA-N" . "InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13?,14-,15+" . "Cn1ncc(c1)c1cnn2c1nc(C1CCCNC1)c(c2N)Br" . "Cn1ncc(c1)c1cnn2c1nc(C1CCCNC1)c(c2N)Br" . "GMIZZEXBPRLVIV-UHFFFAOYSA-N" . "InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3" . "OCC(CC1(CC1)S(=O)(=O)Nc1c(OC)cc(c(c1Nc1ccc(cc1F)I)F)F)O" . "OC[C@H](CC1(CC1)S(=O)(=O)Nc1c(OC)cc(c(c1Nc1ccc(cc1F)I)F)F)O" . "RDSACQWTXKSHJT-NSHDSACASA-N" . "InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1" . "COCC1OC(=O)C(=CN(CC=C)CC=C)C2=C(C(=O)C3=C(C12C)C(OC(=O)C)CC1(C3CCC1=O)C)O" . "COC[C@H]1OC(=O)/C(=C/N(CC=C)CC=C)/C2=C(C(=O)C3=C([C@@]12C)[C@H](OC(=O)C)C[C@]1([C@H]3CCC1=O)C)O" . "QIUASFSNWYMDFS-NILGECQDSA-N" . "InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1" . "O=C(Nc1ccc(cc1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccc(cc1)C(=O)N1CCC(CC1)N(C)C" . "O=C(Nc1ccc(cc1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccc(cc1)C(=O)N1CCC(CC1)N(C)C" . "DWZAEMINVBZMHQ-UHFFFAOYSA-N" . "InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)" . "CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cc(nn1C(C)C)C" . "CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cc(nn1C(C)C)C" . "BVAHPPKGOOJSPU-UHFFFAOYSA-N" . "InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)" . "OCC(C1OC(=O)C(=C1O)O)O" . "OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O" . "CIWBSHSKHKDKBQ-JLAZNSOCSA-N" . "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" . "CNC(=O)c1nn(c2c1C(C)(C)Cc1c2nc(nc1)Nc1ccc(cc1)N1CCN(CC1)C)C" . "CNC(=O)c1nn(c2c1C(C)(C)Cc1c2nc(nc1)Nc1ccc(cc1)N1CCN(CC1)C)C" . "RXZMYLDMFYNEIM-UHFFFAOYSA-N" . "InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)" . "COC(C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1" . "CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1" . "XKFTZKGMDDZMJI-HSZRJFAPSA-N" . "InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1" . "OCCOC1CCC(CC1)n1c(=O)c(cc2c1nc(N)nc2C)c1ccc(nc1)OC" . "OCCO[C@@H]1CC[C@H](CC1)n1c(=O)c(cc2c1nc(N)nc2C)c1ccc(nc1)OC" . "XDLYKKIQACFMJG-WKILWMFISA-N" . "InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-" . "OCC(CONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)O" . "OC[C@H](CONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)O" . "SUDAHWBOROXANE-SECBINFHSA-N" . "InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1" . "OCC1N(C)CCC1c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O" . "OC[C@@H]1N(C)CC[C@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O" . "QLUYMIVVAYRECT-OCCSQVGLSA-N" . "InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1" . "Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C" . "Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C" . "GYLDXIAOMVERTK-UHFFFAOYSA-N" . "InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)" . "S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2" . "S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2" . "FOFDIMHVKGYHRU-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)" . "O=C(N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1)NCCN1CCCCC1" . "O=C(N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1)NCCN1CCCCC1" . "JJDDRYMIPIEXKX-UHFFFAOYSA-N" . "InChI=1S/C26H32N4O3/c31-24(27-14-17-28-15-8-3-9-16-28)29-18-19-30-23(20-29)26(33-25(30)32,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,31)" . "CSCCC(CSSCC(C(=O)NCC(=O)OC(OC(=O)OCC)C)Cc1ccccc1)N" . "CSCCC(CSSCC(C(=O)NCC(=O)OC(OC(=O)OCC)C)Cc1ccccc1)N" . "BJCNUZJDFWFVBY-UHFFFAOYSA-N" . "InChI=1S/C22H34N2O6S3/c1-4-28-22(27)30-16(2)29-20(25)13-24-21(26)18(12-17-8-6-5-7-9-17)14-32-33-15-19(23)10-11-31-3/h5-9,16,18-19H,4,10-15,23H2,1-3H3,(H,24,26)" . "NCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CCC1CCCCC1)CC(C)C)CCC(C)C" . "NC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC1CCCCC1)CC(C)C)CCC(C)C" . "KAFZOLYKKCWUBI-HPMAGDRPSA-N" . "InChI=1S/C40H72N12O8/c1-23(2)14-16-27(48-37(58)29(20-24(3)4)47-33(54)17-15-25-10-6-5-7-11-25)36(57)51-30(22-41)39(60)52-19-9-13-31(52)38(59)49-26(12-8-18-46-40(44)45)35(56)50-28(34(43)55)21-32(42)53/h23-31H,5-22,41H2,1-4H3,(H2,42,53)(H2,43,55)(H,47,54)(H,48,58)(H,49,59)(H,50,56)(H,51,57)(H4,44,45,46)/t26-,27-,28-,29-,30-,31-/m0/s1" . "NC(=N)NCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1" . "HPJGEESDHAUUQR-SKGSPYGFSA-N" . "InChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1" . "CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(c1)OC" . "CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(c1)OC" . "GJRIGACGWLYZAO-UHFFFAOYSA-N" . "InChI=1S/C21H27NO3/c1-4-21(23)22-12-6-8-17-15-20(25-3)11-10-18(17)13-16-7-5-9-19(14-16)24-2/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3,(H,22,23)" . "COc1ccc(cc1)N(c1ccccc1)CCNC(=O)C" . "COc1ccc(cc1)N(c1ccccc1)CCNC(=O)C" . "PWTCGLHUMIIRML-UHFFFAOYSA-N" . "InChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20)" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)CCC(C)C" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)CCC(C)C" . "DGWFQLYAVLGONI-UHFFFAOYSA-N" . "InChI=1S/C20H27NO2/c1-14(2)5-6-16-11-17-7-8-19(23-4)13-20(17)18(12-16)9-10-21-15(3)22/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,21,22)" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)CO" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)CO" . "BHDVJMSEODZSTD-UHFFFAOYSA-N" . "InChI=1S/C22H23NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13,24H,8-9,14H2,1-2H3,(H,23,25)" . "OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F" . "OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F" . "ACWZRVQXLIRSDF-UHFFFAOYSA-N" . "InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)" . "Cc1cc2c(C(=O)NCC(c3ccccc3)C)c(O)c(cc2c(c1c1c(C)cc2c(c1O)cc(c(c2C(=O)NCC(c1ccccc1)C)O)O)O)O" . "Cc1cc2c(C(=O)NC[C@@H](c3ccccc3)C)c(O)c(cc2c(c1c1c(C)cc2c(c1O)cc(c(c2C(=O)NC[C@@H](c1ccccc1)C)O)O)O)O" . "RAYNZUHYMMLQQA-ZEQRLZLVSA-N" . "InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1" . "CNc1nc(ncc1C(F)(F)F)Nc1cnn(c1Cl)C1CCN(CC1F)C1COC1" . "CNc1nc(ncc1C(F)(F)F)Nc1cnn(c1Cl)[C@H]1CCN(C[C@@H]1F)C1COC1" . "PUXPEQJKNAWNQA-AAEUAGOBSA-N" . "InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1" . "OCCn1nc(c2c1c1nc(ncc1CC2)Nc1cc(ccc1OC(F)(F)F)N1CCN(CC1)C)C(=O)N" . "OCCn1nc(c2c1c1nc(ncc1CC2)Nc1cc(ccc1OC(F)(F)F)N1CCN(CC1)C)C(=O)N" . "QHLVBNKYJGBCQJ-UHFFFAOYSA-N" . "InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)" . "N#CC(=NNc1cccc(c1)Cl)C(=O)c1noc(c1)C(C)(C)C" . "N#C/C(=N/Nc1cccc(c1)Cl)/C(=O)c1noc(c1)C(C)(C)C" . "DXEATJQGQHDURZ-DEDYPNTBSA-N" . "InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+" . "CCOC(=O)NCCCC(=O)NCCc1ccccc1" . "CCOC(=O)NCCCC(=O)NCCc1ccccc1" . "HTOYBIILVCHURC-UHFFFAOYSA-N" . "InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)" . "O=C(c1ccccc1O)C=CN1CC2CC1CN2c1ccccn1" . "O=C(c1ccccc1O)/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1" . "INAICWLVUAKEPB-QSTFCLMHSA-N" . "InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "WSEQXVZVJXJVFP-UHFFFAOYSA-N" . "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3" . "N#Cc1cc(sc1Sc1c(Cl)cncc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)C" . "N#Cc1cc(sc1Sc1c(Cl)cncc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)C" . "GUDJFFQZIISQJB-UHFFFAOYSA-N" . "InChI=1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)" . "CNC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)NCCCCCCNC(=O)C(C(c1ccccc1)c1ccccc1)NC(=O)C1CCCN1C(=O)C(C1CCCCC1)NC(=O)C(NC)C)C1CCCCC1)C" . "CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](C(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C1CCCCC1)NC(=O)[C@@H](NC)C)C1CCCCC1)C" . "DPXJXGNXKOVBJV-YLOPQIBLSA-N" . "InChI=1S/C70H96N10O8/c1-47(71-3)63(81)75-59(53-37-21-11-22-38-53)69(87)79-45-27-41-55(79)65(83)77-61(57(49-29-13-7-14-30-49)50-31-15-8-16-32-50)67(85)73-43-25-5-6-26-44-74-68(86)62(58(51-33-17-9-18-34-51)52-35-19-10-20-36-52)78-66(84)56-42-28-46-80(56)70(88)60(54-39-23-12-24-40-54)76-64(82)48(2)72-4/h7-10,13-20,29-36,47-48,53-62,71-72H,5-6,11-12,21-28,37-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,81)(H,76,82)(H,77,83)(H,78,84)/t47-,48-,55-,56-,59-,60-,61-,62-/m0/s1" . "O=C(C1CC1)Nc1nc2n(n1)c(ccc2)c1ccc(cc1)CN1CCS(=O)(=O)CC1" . "O=C(C1CC1)Nc1nc2n(n1)c(ccc2)c1ccc(cc1)CN1CCS(=O)(=O)CC1" . "RIJLVEAXPNLDTC-UHFFFAOYSA-N" . "InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)" . "CNC(C(=O)NC(C(=O)N1CCCC1c1scc(n1)C(=O)c1ccc(cc1)F)C1CCCCC1)C" . "CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1scc(n1)C(=O)c1ccc(cc1)F)C1CCCCC1)C" . "UFPFGVNKHCLJJO-SSKFGXFMSA-N" . "InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1" . "ONC(=O)CCCCCCSc1ccc2c(c1)cccc2" . "ONC(=O)CCCCCCSc1ccc2c(c1)cccc2" . "KPNNXHVGOKRBEF-UHFFFAOYSA-N" . "InChI=1S/C17H21NO2S/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)" . "OC(=O)CN(C(=N)N)C" . "OC(=O)CN(C(=N)N)C" . "CVSVTCORWBXHQV-UHFFFAOYSA-N" . "InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)" . "CNC(=O)c1ccc(cc1)Nc1ncc(c(n1)NCc1nccnc1N(S(=O)(=O)C)C)C(F)(F)F" . "CNC(=O)c1ccc(cc1)Nc1ncc(c(n1)NCc1nccnc1N(S(=O)(=O)C)C)C(F)(F)F" . "FWLMVFUGMHIOAA-UHFFFAOYSA-N" . "InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)" . "Clc1ccc(c(c1)F)Cc1c(C)nc2n1nc(Nc1n[nH]c(c1)C)cc2CN1CCOCC1" . "Clc1ccc(c(c1)F)Cc1c(C)nc2n1nc(Nc1n[nH]c(c1)C)cc2CN1CCOCC1" . "SQSZANZGUXWJEA-UHFFFAOYSA-N" . "InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)" . "COC(=O)NC(CNc1nccc(n1)c1cn(nc1c1cc(Cl)cc(c1F)NS(=O)(=O)C)C(C)C)C" . "COC(=O)N[C@H](CNc1nccc(n1)c1cn(nc1c1cc(Cl)cc(c1F)NS(=O)(=O)C)C(C)C)C" . "CMJCXYNUCSMDBY-ZDUSSCGKSA-N" . "InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1" . "CNC1CC2OC(C1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3C(NC1=O)O" . "CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3[C@H](NC1=O)O" . "PBCZSGKMGDDXIJ-HQCWYSJUSA-N" . "InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1" . "CN(C1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncnc1)C)C" . "CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncnc1)C)C" . "ZGBAJMQHJDFTQJ-DEOSSOPVSA-N" . "InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1" . "CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2" . "CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2" . "LIOLIMKSCNQPLV-UHFFFAOYSA-N" . "InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)" . "C=CC(=O)N1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)Cl" . "C=CC(=O)N1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)Cl" . "LPFWVDIFUFFKJU-UHFFFAOYSA-N" . "InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)" . "NCC(NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F" . "NC[C@@H](NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F" . "AXTAPYRUEKNRBA-JTQLQIEISA-N" . "InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1" . "CN(C(c1ccccc1)CCOc1cccc2c1cccc2)C" . "CN([C@H](c1ccccc1)CCOc1cccc2c1cccc2)C" . "USRHYDPUVLEVMC-FQEVSTJZSA-N" . "InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1" . "OCC1CNCC(C1O)O" . "OC[C@H]1CNC[C@H]([C@@H]1O)O" . "QPYJXFZUIJOGNX-HSUXUTPPSA-N" . "InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1" . "OC(=O)CC(C(=O)NC(P(=O)(CC(C(=O)NC(C(=O)N)C)C)O)Cc1ccccc1)NC(=O)C" . "OC(=O)C[C@@H](C(=O)N[C@H](P(=O)(C[C@H](C(=O)N[C@H](C(=O)N)C)C)O)Cc1ccccc1)NC(=O)C" . "OCAZUTUOYLAIOA-OSRSDYAFSA-N" . "InChI=1S/C21H31N4O8P/c1-12(20(30)23-13(2)19(22)29)11-34(32,33)17(9-15-7-5-4-6-8-15)25-21(31)16(10-18(27)28)24-14(3)26/h4-8,12-13,16-17H,9-11H2,1-3H3,(H2,22,29)(H,23,30)(H,24,26)(H,25,31)(H,27,28)(H,32,33)/t12-,13+,16+,17-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)NC(C(=O)O)CCc1ccccc1" . "NCCCC[C@@H](C(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1" . "JXNGDSIPMBNTNL-KMDXXIMOSA-N" . "InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24+/m0/s1" . "OC(=O)CC(c1ncc(s1)C)c1cc(Cl)cc(c1)c1cccc(c1)CC(=O)N" . "OC(=O)CC(c1ncc(s1)C)c1cc(Cl)cc(c1)c1cccc(c1)CC(=O)N" . "SRVXSISGYBMIHR-UHFFFAOYSA-N" . "InChI=1S/C21H19ClN2O3S/c1-12-11-24-21(28-12)18(10-20(26)27)16-7-15(8-17(22)9-16)14-4-2-3-13(5-14)6-19(23)25/h2-5,7-9,11,18H,6,10H2,1H3,(H2,23,25)(H,26,27)" . "OC(=O)CC(c1ccccc1C)NC(=O)c1[nH]n(c(=O)c1)c1ccccc1F" . "OC(=O)C[C@@H](c1ccccc1C)NC(=O)c1[nH]n(c(=O)c1)c1ccccc1F" . "DGGLFHJMXJUSDG-HNNXBMFYSA-N" . "InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1" . "NCC(NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F" . "NC[C@@H](NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F" . "AFJRDFWMXUECEW-LBPRGKRZSA-N" . "InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1" . "O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2" . "O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2" . "XSMSNFMDVXXHGJ-UHFFFAOYSA-N" . "InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)" . "O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)C(O)C" . "O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)[C@@H](O)C" . "YOVVNQKCSKSHKT-HNNXBMFYSA-N" . "InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1" . "CC(NCC(C(=O)N1CCN(CC1)c1ncnc2c1C(C)CC2O)c1ccc(cc1)Cl)C" . "CC(NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2c1[C@H](C)C[C@H]2O)c1ccc(cc1)Cl)C" . "GRZXWCHAXNAUHY-NSISKUIASA-N" . "InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1" . "CCN(CCN1CCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)cc2)CC" . "CCN(CCN1CCc2c(C1=O)c(C)c([nH]2)/C=C/1/C(=O)Nc2c1cc(F)cc2)CC" . "GKEYKDOLBLYGRB-LGMDPLHJSA-N" . "InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-" . "CN1CCN(CC1)c1nc(C=Cc2ccccc2)nc(c1)Nc1n[nH]c(c1)C" . "CN1CCN(CC1)c1nc(/C=C/c2ccccc2)nc(c1)Nc1n[nH]c(c1)C" . "BLQYVHBZHAISJM-CMDGGOBGSA-N" . "InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+" . "COC1CC(CCC1OP(=O)(C)C)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "CO[C@@H]1C[C@@H](CC[C@H]1OP(=O)(C)C)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "BUROJSBIWGDYCN-GAUTUEMISA-N" . "InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1" . "OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1" . "OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1" . "HWHLPVGTWGOCJO-UHFFFAOYSA-N" . "InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2" . "COCC(=O)NCC=Cc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)C)Oc1ccc(nc1)C" . "COCC(=O)NC/C=C/c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)C)Oc1ccc(nc1)C" . "LLVZBTWPGQVVLW-SNAWJCMRSA-N" . "InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+" . "c1cnc2c(c1)CC1(O2)CN2CCC1CC2" . "c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2" . "OCKIPDMKGPYYJS-ZDUSSCGKSA-N" . "InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1" . "NC1CCN(CC1)c1cccc2c1nc(cc2)n1cnc2c1ccc(c2)OCC1(C)COC1" . "NC1CCN(CC1)c1cccc2c1nc(cc2)n1cnc2c1ccc(c2)OCC1(C)COC1" . "DYNHJHQFHQTFTP-UHFFFAOYSA-N" . "InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3" . "O=C(Nc1snc(c1C(=O)N)OCc1c(F)cc(cc1F)Br)NCCCCN1CCCC1" . "O=C(Nc1snc(c1C(=O)N)OCc1c(F)cc(cc1F)Br)NCCCCN1CCCC1" . "HXHAJRMTJXHJJZ-UHFFFAOYSA-N" . "InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)" . "COc1cc2c(ncnc2cc1OC)Oc1cccc(c1)NC(=O)Nc1noc(c1)C(C(F)(F)F)(C)C" . "COc1cc2c(ncnc2cc1OC)Oc1cccc(c1)NC(=O)Nc1noc(c1)C(C(F)(F)F)(C)C" . "DKNUPRMJNUQNHR-UHFFFAOYSA-N" . "InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)" . "COc1cccc(c1)Nc1ncnn2c1c(cc2)CN1CCC(C(C1)O)N" . "COc1cccc(c1)Nc1ncnn2c1c(cc2)CN1CC[C@H]([C@@H](C1)O)N" . "CSGQVNMSRKWUSH-IAGOWNOFSA-N" . "InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1" . "Nc1ncc(c(c1)C(F)(F)F)c1cc(nc(n1)N1CCOCC1)N1CCOCC1" . "Nc1ncc(c(c1)C(F)(F)F)c1cc(nc(n1)N1CCOCC1)N1CCOCC1" . "CWHUFRVAEUJCEF-UHFFFAOYSA-N" . "InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)" . "OC1C(O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O" . "CDAISMWEOUEBRE-GPIVLXJGSA-N" . "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-" . "CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C" . "CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C" . "QADPYRIHXKWUSV-UHFFFAOYSA-N" . "InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)" . "O=C(NC(C)(C)C)NC(C(C)(C)C)C(=O)N1CC2C(C1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C" . "O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C" . "LHHCSNFAOIFYRV-DOVBMPENSA-N" . "InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1" . "COc1c(OCCCN2CCOCC2)ccc2c1nc(=NC(=O)c1cnc(nc1)N)n1c2NCC1" . "COc1c(OCCCN2CCOCC2)ccc2c1nc(=NC(=O)c1cnc(nc1)N)n1c2NCC1" . "MWYDSXOGIBMAET-UHFFFAOYSA-N" . "InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27)" . "CC(C(Oc1nc(ncc1C(F)(F)F)Nc1ccc(cc1)S(=O)(=N)C1CC1)C)O" . "C[C@H]([C@H](Oc1nc(ncc1C(F)(F)F)Nc1ccc(cc1)S(=O)(=N)C1CC1)C)O" . "UELYDGOOJPRWGF-MFOHZAOFSA-N" . "InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1" . "COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O" . "COc1cc(cc(c1OC)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O" . "YJGVMLPVUAXIQN-HAEOHBJNSA-N" . "InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1" . "OCC(CNC(=O)c1ccncc1Nc1ccc(cc1F)I)O" . "OC[C@H](CNC(=O)c1ccncc1Nc1ccc(cc1F)I)O" . "VIUAUNHCRHHYNE-JTQLQIEISA-N" . "InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1" . "CCCC(C(=O)C(=O)NC1CC1)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)C(C1CCCCC1)NC(=O)c1nccnc1" . "CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C1CCCCC1)NC(=O)c1nccnc1" . "BBAWEDCPNXPBQM-GDEBMMAJSA-N" . "InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1" . "OC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1" . "OC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1" . "ZIAFXLGSGMQYPL-UHFFFAOYSA-N" . "InChI=1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)" . "ClC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)Cl" . "ClC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)Cl" . "IUGDILGOLSSKNE-UHFFFAOYSA-N" . "InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H" . "FCC1(COCC(=N1)N)c1cc(ccc1F)NC(=O)c1ncc(cc1C)Cl" . "FC[C@]1(COCC(=N1)N)c1cc(ccc1F)NC(=O)c1ncc(cc1C)Cl" . "NQNLROFWOGGJGK-SFHVURJKSA-N" . "InChI=1S/C18H17ClF2N4O2/c1-10-4-11(19)6-23-16(10)17(26)24-12-2-3-14(21)13(5-12)18(8-20)9-27-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1" . "COc1ccc(cc1)S(=O)(=O)N(C(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(=O)O" . "COc1ccc(cc1)S(=O)(=O)N(C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(=O)O" . "QXROXWFFCFLRBZ-ZEQRLZLVSA-N" . "InChI=1S/C28H35N3O9S/c1-19(2)16-23(27(35)31(17-25(32)33)41(37,38)22-13-11-21(39-3)12-14-22)29-26(34)24-10-7-15-30(24)28(36)40-18-20-8-5-4-6-9-20/h4-6,8-9,11-14,19,23-24H,7,10,15-18H2,1-3H3,(H,29,34)(H,32,33)/t23-,24-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)N)C)CCC(=O)O)NC(=O)C(NC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(C)C" . "OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(C)C" . "XGNIOZCAZTWXMZ-WCHFFXHOSA-N" . "InChI=1S/C52H68N8O15S/c1-31(2)27-40(49(69)57-39(23-25-45(64)65)48(68)56-38(22-24-44(62)63)47(67)54-33(5)46(53)66)55-43(61)29-60(76(73,74)37-20-18-36(19-21-37)35-15-10-7-11-16-35)51(71)41(28-32(3)4)58-50(70)42-17-12-26-59(42)52(72)75-30-34-13-8-6-9-14-34/h6-11,13-16,18-21,31-33,38-42H,12,17,22-30H2,1-5H3,(H2,53,66)(H,54,67)(H,55,61)(H,56,68)(H,57,69)(H,58,70)(H,62,63)(H,64,65)/t33-,38-,39-,40-,41-,42-/m0/s1" . "OCc1ccc(c2c1oc1ccc(cc1c2=O)OS(=O)(=O)c1ccc(cc1)C)NCCN(C)C" . "OCc1ccc(c2c1oc1ccc(cc1c2=O)OS(=O)(=O)c1ccc(cc1)C)NCCN(C)C" . "SEVKFSGZVZFIMA-UHFFFAOYSA-N" . "InChI=1S/C25H26N2O6S/c1-16-4-8-19(9-5-16)34(30,31)33-18-7-11-22-20(14-18)24(29)23-21(26-12-13-27(2)3)10-6-17(15-28)25(23)32-22/h4-11,14,26,28H,12-13,15H2,1-3H3" . "Clc1cccc(c1NC1=NCCN1)Cl" . "Clc1cccc(c1NC1=NCCN1)Cl" . "GJSURZIOUXUGAL-UHFFFAOYSA-N" . "InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)" . "CC(CC(C(=O)O)NC(C(=O)O)Cc1cncn1Cc1cc(Cl)cc(c1)Cl)C" . "CC(C[C@@H](C(=O)O)N[C@H](C(=O)O)Cc1cncn1Cc1cc(Cl)cc(c1)Cl)C" . "NTCCRGGIJNDEAB-IRXDYDNUSA-N" . "InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1" . "CC(c1ccc(cc1)O)(c1ccc(cc1)O)C" . "CC(c1ccc(cc1)O)(c1ccc(cc1)O)C" . "IISBACLAFKSPIT-UHFFFAOYSA-N" . "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3" . "Cn1ncc2c1c1cc(NCc3ccc(cc3)C(C)(C)C)ccc1N(S2(=O)=O)C" . "Cn1ncc2c1c1cc(NCc3ccc(cc3)C(C)(C)C)ccc1N(S2(=O)=O)C" . "AVFJKWOKOZKXRX-UHFFFAOYSA-N" . "InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3" . "CCOC(=O)c1ccc(cc1)OC(=O)CCCCCN=C(N)N" . "CCOC(=O)c1ccc(cc1)OC(=O)CCCCCN=C(N)N" . "YKGYIDJEEQRWQH-UHFFFAOYSA-N" . "InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)" . "CC(CC(C(=O)NC1CCC(N(CC1=O)S(=O)(=O)c1ccccn1)C)NC(=O)c1cc2c(o1)cccc2)C" . "CC(C[C@@H](C(=O)N[C@H]1CC[C@H](N(CC1=O)S(=O)(=O)c1ccccn1)C)NC(=O)c1cc2c(o1)cccc2)C" . "BWYBBMQLUKXECQ-GIVPXCGWSA-N" . "InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1" . "CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N" . "CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N" . "LLCRBOWRJOUJAE-UHFFFAOYSA-N" . "InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)" . "CC(CC(C(=O)NCC#N)NC(C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C)C" . "CC(C[C@@H](C(=O)NCC#N)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C)C" . "VYFDSJLOCIGIKP-SFTDATJTSA-N" . "InChI=1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1" . "NCCCCC(C(c1nc2c(o1)cccc2)(O)O)NC(=O)C1CC(CN1C(=O)C(NC(=O)OCc1ccccc1)CCc1ccccc1)OCc1ccc(cc1)C" . "NCCCC[C@@H](C(c1nc2c(o1)cccc2)(O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)OCc1ccccc1)CCc1ccccc1)OCc1ccc(cc1)C" . "KGNDCEVUMONOKF-UGPLYTSKSA-N" . "InChI=1S/C44H51N5O8/c1-30-19-21-33(22-20-30)28-55-34-26-37(40(50)48-39(18-10-11-25-45)44(53,54)42-46-35-16-8-9-17-38(35)57-42)49(27-34)41(51)36(24-23-31-12-4-2-5-13-31)47-43(52)56-29-32-14-6-3-7-15-32/h2-9,12-17,19-22,34,36-37,39,53-54H,10-11,18,23-29,45H2,1H3,(H,47,52)(H,48,50)/t34-,36-,37+,39+/m1/s1" . "CC(C(=O)O)CC(Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O" . "C[C@@H](C(=O)O)C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O" . "DOBNVUFHFMVMDB-BEFAXECRSA-N" . "InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1" . "CCOC(=O)C(CC(Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O)C" . "CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O)C" . "PYNXFZCZUAOOQC-UTKZUKDTSA-N" . "InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1" . "Cc1csc(n1)C1CCCN1C(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)NC(C(CNCc1cccc(c1)OC(F)(F)F)O)Cc1ccccc1" . "Cc1csc(n1)[C@H]1CCCN1C(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@H]([C@@H](CNCc1cccc(c1)OC(F)(F)F)O)Cc1ccccc1" . "GUOONOJYWQOJJP-DCMFLLSESA-N" . "InChI=1S/C36H40F3N5O6S2/c1-23-22-51-34(41-23)31-13-8-14-44(31)35(47)27-17-26(18-28(19-27)43(2)52(3,48)49)33(46)42-30(16-24-9-5-4-6-10-24)32(45)21-40-20-25-11-7-12-29(15-25)50-36(37,38)39/h4-7,9-12,15,17-19,22,30-32,40,45H,8,13-14,16,20-21H2,1-3H3,(H,42,46)/t30-,31+,32+/m0/s1" . "Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)CCSC(=N1)N)F" . "Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)CCSC(=N1)N)F" . "VVZZZUNCWSTIOI-KRWDZBQOSA-N" . "InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1" . "Clc1cnc(nc1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C(=N1)N)C" . "Clc1cnc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CC(=O)N(C(=N1)N)C" . "VZUGBLTVBZJZOE-KRWDZBQOSA-N" . "InChI=1S/C17H17ClN6O2/c1-17(7-13(25)24(2)16(19)23-17)10-4-3-5-12(6-10)22-15(26)14-20-8-11(18)9-21-14/h3-6,8-9H,7H2,1-2H3,(H2,19,23)(H,22,26)/t17-/m0/s1" . "Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)C12N=C(N)SCCC2C1)F" . "Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SCC[C@@H]2C1)F" . "COCAUCFPFHUGAA-MGNBDDOMSA-N" . "InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1" . "OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C" . "OC(=O)[C@@H](c1ccc(c(c1)F)c1ccccc1)C" . "SYTBZMRGLBWNTM-SNVBAGLBSA-N" . "InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1" . "CCc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1ccc(cc1)N1CCCCC1" . "CCc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1ccc(cc1)N1CCCCC1" . "AHFZDNYNXFMRFQ-UHFFFAOYSA-N" . "InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)" . "COc1c2ccccn2c(c1C)C(=O)c1ccc(c(c1)C(=O)O)N" . "COc1c2ccccn2c(c1C)C(=O)c1ccc(c(c1)C(=O)O)N" . "SNMCWIDCSPHZRD-UHFFFAOYSA-N" . "InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)" . "CC(=O)Nc1ccc(cc1)OCC(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C" . "CC(=O)Nc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C" . "YVXVTLGIDOACBJ-SFHVURJKSA-N" . "InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1" . "O=CC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C" . "O=CC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C" . "XGWATTXMMMANFJ-UHFFFAOYSA-N" . "InChI=1S/C19H30O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,12,21H,11H2,1-8H3" . "CCN(CCc1ccc(cc1)N(=O)=O)CCOc1ccc(cc1)N(=O)=O" . "CCN(CCc1ccc(cc1)N(=O)=O)CCOc1ccc(cc1)N(=O)=O" . "DNTKZECWRGSWKD-UHFFFAOYSA-N" . "InChI=1S/C18H21N3O5/c1-2-19(12-11-15-3-5-16(6-4-15)20(22)23)13-14-26-18-9-7-17(8-10-18)21(24)25/h3-10H,2,11-14H2,1H3" . "O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(c(c1)Cl)F)NNC(=O)c1ccccc1" . "O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(c(c1)Cl)F)NNC(=O)c1ccccc1" . "FYIBXBFDXNPBSF-UHFFFAOYSA-N" . "InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)" . "COC1=CC2C(=NC(=[N+](C2=O)c2ccc(cc2)C(=O)O)C=Cc2cccc(c2)[N+](=O)[O-])C=C1" . "COC1=CC2C(=NC(=[N+](C2=O)c2ccc(cc2)C(=O)O)/C=C/c2cccc(c2)[N+](=O)[O-])C=C1" . "ZLXASDKCRPAANV-LFYBBSHMSA-O" . "InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14,20H,1H3/p+1/b12-5+" . "O=C1NC(=O)C(N1)(C)CS(=O)(=O)N1CCC(CC1)Oc1ccc(cn1)Cl" . "O=C1NC(=O)[C@@](N1)(C)CS(=O)(=O)N1CCC(CC1)Oc1ccc(cn1)Cl" . "SFJFBTPHDHUUPU-OAHLLOKOSA-N" . "InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1" . "OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)C1C(=O)N=c2c(=C1c1ccccc1)cc(cc2)C" . "OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)C1C(=O)N=c2c(=C1c1ccccc1)cc(cc2)C" . "ACUGSRUCGXYFTL-UHFFFAOYSA-N" . "InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24,28H,13-14,16H2,1H3,(H,35,36)" . "O=C1N2CCCC2Oc2c1cc1OCCOc1c2" . "O=C1N2CCCC2Oc2c1cc1OCCOc1c2" . "RQEPVMAYUINZRE-UHFFFAOYSA-N" . "InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2" . "CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc1cc(ccc1C)C(=O)NC1CC1" . "CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc1cc(ccc1C)C(=O)NC1CC1" . "GDTQLZHHDRRBEB-UHFFFAOYSA-N" . "InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)" . "COCCOc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)F" . "COCCOc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)F" . "KXBDTLQSDKGAEB-UHFFFAOYSA-N" . "InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)" . "CCNc1cc2C=CCC(O)C(O)C(=O)C=CC(C(OC(=O)c2c(c1)O)C)C" . "CCNc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/[C@H]([C@@H](OC(=O)c2c(c1)O)C)C" . "MWUFVYLAWAXDHQ-HMNLTAHHSA-N" . "InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1" . "O=C(c1ccc(nc1)c1cc(cc(c1C)F)C(=O)NC1CC1)NCC(C)(C)C" . "O=C(c1ccc(nc1)c1cc(cc(c1C)F)C(=O)NC1CC1)NCC(C)(C)C" . "KKYABQBFGDZVNQ-UHFFFAOYSA-N" . "InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)" . "COc1cc(OC)c(c(c1)OC)C=CS(=O)(=O)Cc1cnc(c(c1)NS(=O)(=O)C)OC" . "COc1cc(OC)c(c(c1)OC)/C=C/S(=O)(=O)Cc1cnc(c(c1)NS(=O)(=O)C)OC" . "HEBBDGMHRHUJRY-VOTSOKGWSA-N" . "InChI=1S/C19H24N2O8S2/c1-26-14-9-17(27-2)15(18(10-14)28-3)6-7-31(24,25)12-13-8-16(21-30(5,22)23)19(29-4)20-11-13/h6-11,21H,12H2,1-5H3/b7-6+" . "COc1cc(OC)cc(c1C=CS(=O)(=O)Cc1ccc(c(c1)NCC(=O)O)OC)OC" . "COc1cc(OC)cc(c1/C=C/S(=O)(=O)Cc1ccc(c(c1)NCC(=O)O)OC)OC" . "OWBFCJROIKNMGD-BQYQJAHWSA-N" . "InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+" . "CCc1ccccc1NC(=O)N1CC(C)Oc2c1ccc(c2)c1ccc(cc1)C1CCC(CC1)CC(=O)O" . "CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2c1ccc(c2)c1ccc(cc1)[C@@H]1CC[C@H](CC1)CC(=O)O" . "PUQLADUSPHHAJY-CQOQZXRMSA-N" . "InChI=1S/C32H36N2O4/c1-3-23-6-4-5-7-28(23)33-32(37)34-20-21(2)38-30-19-27(16-17-29(30)34)26-14-12-25(13-15-26)24-10-8-22(9-11-24)18-31(35)36/h4-7,12-17,19,21-22,24H,3,8-11,18,20H2,1-2H3,(H,33,37)(H,35,36)/t21-,22-,24-/m1/s1" . "OC(=O)C1CCC(CC1)OC1CCN(CC1)c1ccc(cn1)c1nc2c([nH]1)ccc(c2)C(F)(F)F" . "OC(=O)[C@@H]1CC[C@H](CC1)OC1CCN(CC1)c1ccc(cn1)c1nc2c([nH]1)ccc(c2)C(F)(F)F" . "MCFBUIIRFZBRCU-RZDIXWSQSA-N" . "InChI=1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)/t15-,18-" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)c1ccc(cn1)Nc1ccc(nc1)C(F)(F)F" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(cn1)Nc1ccc(nc1)C(F)(F)F" . "GXALXAKNHIROPE-QAQDUYKDSA-N" . "InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17-" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncn2" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncn2" . "GEVVQZHMFVFGLN-HDJSIYSDSA-N" . "InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C" . "FUIYMYNYUHVDPT-HDJSIYSDSA-N" . "InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C" . "YXFNPRHZMOGREC-SHTZXODSSA-N" . "InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-" . "OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl" . "OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl" . "HSQAARMBHJCUOK-UHFFFAOYSA-N" . "InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)" . "O=C(N1CCN(CC1)C(=O)C1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl" . "O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl" . "WERHXSXPOAOBJV-QGZVFWFLSA-N" . "InChI=1S/C19H27ClFN5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1" . "N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1" . "N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1" . "ZVHNDZWQTBEVRY-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)" . "OCCN(C(=O)c1ccc(cc1)C(=C1CCN(CC1)Cc1cscn1)c1cccc2c1nccc2)C" . "OCCN(C(=O)c1ccc(cc1)C(=C1CCN(CC1)Cc1cscn1)c1cccc2c1nccc2)C" . "ZJKUETLEJYCOBO-UHFFFAOYSA-N" . "InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3" . "FC(C(Oc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)CC1(C)NC(=O)NC1=O)(F)F)F" . "FC(C(Oc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)C[C@@]1(C)NC(=O)NC1=O)(F)F)F" . "SBVAXUGOISPYPX-QGZVFWFLSA-N" . "InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/s1" . "CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)NC2C1CCCC2" . "CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)N[C@@H]2[C@@H]1CCCC2" . "IVJDEIANCSDDAO-ROUUACIJSA-N" . "InChI=1S/C21H36N4O3/c1-3-28-20(27)23-14-10-21(2,11-15-23)24-12-8-16(9-13-24)25-18-7-5-4-6-17(18)22-19(25)26/h16-18H,3-15H2,1-2H3,(H,22,26)/t17-,18-/m0/s1" . "Cc1ccc(cc1)CCSC(C(=O)O)Cc1ccc(cc1)CCOc1ccc(cc1)OS(=O)(=O)C" . "Cc1ccc(cc1)CCSC(C(=O)O)Cc1ccc(cc1)CCOc1ccc(cc1)OS(=O)(=O)C" . "CIHMPKKTGUOBBS-UHFFFAOYSA-N" . "InChI=1S/C27H30O6S2/c1-20-3-5-22(6-4-20)16-18-34-26(27(28)29)19-23-9-7-21(8-10-23)15-17-32-24-11-13-25(14-12-24)33-35(2,30)31/h3-14,26H,15-19H2,1-2H3,(H,28,29)" . "O=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C" . "O=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C" . "DXDVSYALLVVBOV-UHFFFAOYSA-N" . "InChI=1S/C19H13ClF3N3O3/c1-9-5-12(20)7-13-14(9)26(16(28)18(13)15(27)24-17(29)25-18)8-10-3-2-4-11(6-10)19(21,22)23/h2-7H,8H2,1H3,(H2,24,25,27,29)" . "N#Cc1ccc2c(c1)C(=c1ccc(c[nH]1)CN1CCOCC1)C(=O)N2" . "N#Cc1ccc2c(c1)/C(=c/1/ccc(c[nH]1)CN1CCOCC1)/C(=O)N2" . "JULOXTBHCHEFBE-ISLYRVAYSA-N" . "InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,21H,5-8,12H2,(H,22,24)/b18-17+" . "CNC(=O)c1ccc(c(c1)n1c(C)cc(c(c1=O)Br)OCc1ccc(cc1F)F)C" . "CNC(=O)c1ccc(c(c1)n1c(C)cc(c(c1=O)Br)OCc1ccc(cc1F)F)C" . "KCAJXIDMCNPGHZ-UHFFFAOYSA-N" . "InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)" . "Fc1ccc(cc1)CN1CC(C)N(CC1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C" . "Fc1ccc(cc1)CN1C[C@@H](C)N(C[C@@H]1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C" . "ZMELOYOKMZBMRB-DLBZAZTESA-N" . "InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1" . "OC(=O)CCc1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cccc2" . "OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cccc2" . "NHFDRBXTEDBWCZ-ZROIWOOFSA-N" . "InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-" . "OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO" . "OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO" . "ORVNHOYNEHYKJG-UHFFFAOYSA-N" . "InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2nccnc2)C)cc(c1)C(F)(F)F" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2nccnc2)C)cc(c1)C(F)(F)F" . "DUPWHXBITIZIKZ-UHFFFAOYSA-N" . "InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)" . "CN(CC(c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C" . "CN(C[C@@H](c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C" . "XCFRUAOZMVFDPQ-AWEZNQCLSA-N" . "InChI=1S/C23H24N2O2S/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20/h5-11,14,26H,12H2,1-4H3,(H,24,27)/t14-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)N)CCC(=O)O)NC(=O)C(CP(=O)(c1ccc(cc1)Br)O)Cc1onc(c1)c1ccc(cc1)c1cccc(c1)Cl" . "OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)NC(=O)[C@@H](CP(=O)(c1ccc(cc1)Br)O)Cc1onc(c1)c1ccc(cc1)c1cccc(c1)Cl" . "PTUCPHGSAFOJAU-MGONOCMRSA-N" . "InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1" . "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(c(=O)n2C)C" . "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(c(=O)n2C)C" . "LTUGYAOMCKNTGG-UHFFFAOYSA-N" . "InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)" . "Cc1ccc(c(c1)C)S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C" . "Cc1ccc(c(c1)C)S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C" . "HVGVNYJRZJHYBS-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O3S/c1-11-5-8-16(12(2)9-11)24(22,23)18-13-6-7-14-15(10-13)20(4)17(21)19(14)3/h5-10,18H,1-4H3" . "COC(=O)C(C1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC" . "COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC" . "WGMDCNPABCIZCD-UTKZUKDTSA-N" . "InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1" . "COC(=O)C(C1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)C" . "COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)C" . "FENXDXHDXYVGRJ-BLVKFPJESA-N" . "InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1" . "OCC(C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C" . "OC[C@@H](C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C" . "ZKDXRFMOHZVXSG-HNNXBMFYSA-N" . "InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1" . "COc1cc(ccc1n1cnc(c1)C)Nc1nc2CCOCc2c(n1)COC1CCCC1" . "COc1cc(ccc1n1cnc(c1)C)Nc1nc2CCOCc2c(n1)COC1CCCC1" . "RMRFSIAFQBYBSN-UHFFFAOYSA-N" . "InChI=1S/C24H29N5O3/c1-16-12-29(15-25-16)22-8-7-17(11-23(22)30-2)26-24-27-20-9-10-31-13-19(20)21(28-24)14-32-18-5-3-4-6-18/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28)" . "COc1c(C)cc(cc1C)C1(N=C(c2c1nccn2)N)c1cccc(c1)c1cncnc1" . "COc1c(C)cc(cc1C)[C@@]1(N=C(c2c1nccn2)N)c1cccc(c1)c1cncnc1" . "BICGYFRWDDPYEI-VWLOTQADSA-N" . "InChI=1S/C25H22N6O/c1-15-9-20(10-16(2)22(15)32-3)25(23-21(24(26)31-25)29-7-8-30-23)19-6-4-5-17(11-19)18-12-27-14-28-13-18/h4-14H,1-3H3,(H2,26,31)/t25-/m0/s1" . "CNc1nc(NCc2ccc(cc2Cl)Cl)cc(n1)c1ccccn1" . "CNc1nc(NCc2ccc(cc2Cl)Cl)cc(n1)c1ccccn1" . "HOVRMCPKCWLHJS-UHFFFAOYSA-N" . "InChI=1S/C17H15Cl2N5/c1-20-17-23-15(14-4-2-3-7-21-14)9-16(24-17)22-10-11-5-6-12(18)8-13(11)19/h2-9H,10H2,1H3,(H2,20,22,23,24)" . "N#Cc1ccc(nc1)N1CCN(CC1)Cc1cn2c(n1)ccc(c2)Cl" . "N#Cc1ccc(nc1)N1CCN(CC1)Cc1cn2c(n1)ccc(c2)Cl" . "UGDJVSURAKMIPU-UHFFFAOYSA-N" . "InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2" . "COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1ccc2c(c1)cccc2" . "COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1ccc2c(c1)cccc2" . "IFQNPGNCFXITTG-UHFFFAOYSA-N" . "InChI=1S/C20H19N3O4/c1-26-17-10-15(11-18(12-17)27-2)19(24)22-23-20(25)21-16-8-7-13-5-3-4-6-14(13)9-16/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)" . "CCCc1ccc(cc1)c1ccc(cc1)N(C(=O)C1CC1c1ccccn1)CC(C(CC)C)N" . "CCCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](CC)C)N" . "OBGKRTYDTRUMGO-RFNYNIMXSA-N" . "InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1" . "Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2" . "Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2" . "IVRXNBXKWIJUQB-UHFFFAOYSA-N" . "InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C(O3)(C)C)F)cc(c1OC)OC" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C(O3)(C)C)F)cc(c1OC)OC" . "GKDRMWXFWHEQQT-UHFFFAOYSA-N" . "InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)" . "Cc1nn(c(n1)c1cn2c(n1)c1ccc(cc1OCC2)c1cnn(c1)C(C(=O)N)(C)C)C(C)C" . "Cc1nn(c(n1)c1cn2c(n1)c1ccc(cc1OCC2)c1cnn(c1)C(C(=O)N)(C)C)C(C)C" . "BEUQXVWXFDOSAQ-UHFFFAOYSA-N" . "InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)" . "C1C=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2" . "C1/C=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2" . "HWXVIOGONBBTBY-ONEGZZNKSA-N" . "InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+" . "N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2" . "N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2" . "XUZMWHLSFXCVMG-UHFFFAOYSA-N" . "InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)" . "COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F" . "COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F" . "ZLHFILGSQDJULK-UHFFFAOYSA-N" . "InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)" . "FCCOCCOCCOc1ccc(cc1)C=Cc1ccc(cc1)NC" . "[18F]CCOCCOCCOc1ccc(cc1)/C=C/c1ccc(cc1)NC" . "NCWZOASIUQVOFA-FWZJPQCDSA-N" . "InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1" . "CC#Cc1cncc(c1)c1ccc2c(c1)C1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC" . "CC#Cc1cncc(c1)c1ccc2c(c1)[C@]1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC" . "WKDNQONLGXOZRG-BOPKNSRXSA-N" . "InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1" . "CCN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC" . "CCN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC" . "FCHDFDWESRUUDK-UHFFFAOYSA-N" . "InChI=1S/C23H31N5O3S/c1-3-28(4-2)21-14-10-19(11-15-21)25-26-20-12-16-22(17-13-20)32(30,31)27-23(29)24-18-8-6-5-7-9-18/h10-18H,3-9H2,1-2H3,(H2,24,27,29)" . "CCN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC" . "CCN(c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC" . "FCHDFDWESRUUDK-QPLCGJKRSA-N" . "InChI=1S/C23H31N5O3S/c1-3-28(4-2)21-14-10-19(11-15-21)25-26-20-12-16-22(17-13-20)32(30,31)27-23(29)24-18-8-6-5-7-9-18/h10-18H,3-9H2,1-2H3,(H2,24,27,29)/b26-25-" . "Cc1ccc(cc1)n1sc(=O)n(c1=O)Cc1ccc(cc1)F" . "Cc1ccc(cc1)n1sc(=O)n(c1=O)Cc1ccc(cc1)F" . "QUIIIYITNGOFEI-UHFFFAOYSA-N" . "InChI=1S/C16H13FN2O2S/c1-11-2-8-14(9-3-11)19-15(20)18(16(21)22-19)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3" . "CCC(=O)NCc1cc2c(n1Cc1ccc(cc1)Cl)cccc2OC" . "CCC(=O)NCc1cc2c(n1Cc1ccc(cc1)Cl)cccc2OC" . "XXXKKZBZKUDKMA-UHFFFAOYSA-N" . "InChI=1S/C20H21ClN2O2/c1-3-20(24)22-12-16-11-17-18(5-4-6-19(17)25-2)23(16)13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,24)" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)CN1CCc2c1cccc2" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)CN1CCc2c1cccc2" . "WPMBIMXWTHXWHN-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O2/c1-15(26)23-11-9-18-19-13-17(27-2)7-8-20(19)24-21(18)14-25-12-10-16-5-3-4-6-22(16)25/h3-8,13,24H,9-12,14H2,1-2H3,(H,23,26)" . "CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2" . "CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2" . "MMMAALHYEKMNHU-UHFFFAOYSA-N" . "InChI=1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24)" . "ICC(=O)NCCc1c2nc(OC)ccc2[nH]c1c1cccc2c1cccc2" . "[125I]CC(=O)NCCc1c2nc(OC)ccc2[nH]c1c1cccc2c1cccc2" . "ZYVDSJZCXRMXGR-FOKFMTIASA-N" . "InChI=1S/C22H20IN3O2/c1-28-20-10-9-18-22(26-20)17(11-12-24-19(27)13-23)21(25-18)16-8-4-6-14-5-2-3-7-15(14)16/h2-10,25H,11-13H2,1H3,(H,24,27)/i23-2" . "CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O)cc2" . "CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O)cc2" . "VTMXSWVEWDJSKG-UHFFFAOYSA-N" . "InChI=1S/C31H31NO5/c1-22(33)32-18-17-26-6-4-5-25-13-16-29(21-30(25)26)37-20-3-2-19-36-28-14-11-24(12-15-28)23-7-9-27(10-8-23)31(34)35/h4-16,21H,2-3,17-20H2,1H3,(H,32,33)(H,34,35)" . "COc1cccc(c1)N(CCNC(=O)C)C" . "COc1cccc(c1)N(CCNC(=O)C)C" . "FAWOXVGCBAVSFR-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O2/c1-10(15)13-7-8-14(2)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15)" . "COc1ccc2c(c1)c(CCNC(=O)C(F)F)ccc2" . "COc1ccc2c(c1)c(CCNC(=O)C(F)F)ccc2" . "UTLRQLQDJLNKNY-UHFFFAOYSA-N" . "InChI=1S/C15H15F2NO2/c1-20-12-6-5-10-3-2-4-11(13(10)9-12)7-8-18-15(19)14(16)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)" . "COc1ccc2c(c1C=CNC(=O)C)cc(cc2)OC" . "COc1ccc2c(c1/C=C/NC(=O)C)cc(cc2)OC" . "HMYFXYOFPXZULT-CMDGGOBGSA-N" . "InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+" . "CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2" . "CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2" . "IZDHETWMKYCGAU-UHFFFAOYSA-N" . "InChI=1S/C15H19N3O2/c1-3-13-11(4-7-16-10(2)19)15-12-6-9-20-14(12)5-8-18(15)17-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)" . "COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1" . "COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1" . "DIXNMQKCFFPTKU-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O2/c1-22-16-7-6-14-8-12-4-2-3-5-13(12)9-15(17(14)10-16)11-20-18(19)21/h2-7,10,15H,8-9,11H2,1H3,(H3,19,20,21)" . "COc1ccc2c(c1)C(CNC(=O)C)Cc1c(C2)cccc1" . "COc1ccc2c(c1)C(CNC(=O)C)Cc1c(C2)cccc1" . "PQZZGTZTKGECDT-UHFFFAOYSA-N" . "InChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21)" . "COc1cc(Cc2cc(OC)c(cc2I)OC)c(cc1OC)CC(=O)OC(C)(C)C" . "COc1cc(Cc2cc(OC)c(cc2[125I])OC)c(cc1OC)CC(=O)OC(C)(C)C" . "UIYQREMVBQNPNM-XXFZXMJFSA-N" . "InChI=1S/C23H29IO6/c1-23(2,3)30-22(25)12-15-10-19(27-5)18(26-4)9-14(15)8-16-11-20(28-6)21(29-7)13-17(16)24/h9-11,13H,8,12H2,1-7H3/i24-2" . "COc1cc2c(CCNC(=O)CI)c[nH]c2cc1" . "COc1cc2c(CCNC(=O)C[125I])c[nH]c2cc1" . "BCFPPJOYYKSYLA-XSBOKVBDSA-N" . "InChI=1S/C13H15IN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)/i14-2" . "COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC=Cc1ccccc1)C" . "COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C" . "KJEBULYHNRNJTE-DHZHZOJOSA-N" . "InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+" . "O=C1N(c2n[nH]cn2)c2c(C1(C)Cc1cncnc1)cc(cc2)c1ccc(c(c1)Cl)F" . "O=C1N(c2n[nH]cn2)c2c([C@@]1(C)Cc1cncnc1)cc(cc2)c1ccc(c(c1)Cl)F" . "OABSWPUPIHULMQ-JOCHJYFZSA-N" . "InChI=1S/C22H16ClFN6O/c1-22(8-13-9-25-11-26-10-13)16-6-14(15-2-4-18(24)17(23)7-15)3-5-19(16)30(20(22)31)21-27-12-28-29-21/h2-7,9-12H,8H2,1H3,(H,27,28,29)/t22-/m1/s1" . "O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1" . "O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1" . "VCPMZDWBEWTGNW-UHFFFAOYSA-N" . "InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2" . "O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@H](c1ccccc1)C)N(C)C" . "O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@H](c1ccccc1)C)N(C)C" . "LDXZFQWWXMRMAS-HNNXBMFYSA-N" . "InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m0/s1" . "CCCNC1CC2(c3c1cccc3)CCN(CC2)Cc1ccc2c(c1)c1ccccc1n2C(=O)N" . "CCCN[C@@H]1CC2(c3c1cccc3)CCN(CC2)Cc1ccc2c(c1)c1ccccc1n2C(=O)N" . "LMNFAMWQPPUUNJ-AREMUKBSSA-N" . "InChI=1S/C30H34N4O/c1-2-15-32-26-19-30(25-9-5-3-8-23(25)26)13-16-33(17-14-30)20-21-11-12-28-24(18-21)22-7-4-6-10-27(22)34(28)29(31)35/h3-12,18,26,32H,2,13-17,19-20H2,1H3,(H2,31,35)/t26-/m1/s1" . "COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCC1(O)CCOCC1" . "COc1ccc(cc1)[C@H]1CN(C[C@@H]1CC(=O)Nc1cccc(c1)Cl)CCC1(O)CCOCC1" . "OLINDOIRFAZHRH-GBXCKJPGSA-N" . "InChI=1S/C26H33ClN2O4/c1-32-23-7-5-19(6-8-23)24-18-29(12-9-26(31)10-13-33-14-11-26)17-20(24)15-25(30)28-22-4-2-3-21(27)16-22/h2-8,16,20,24,31H,9-15,17-18H2,1H3,(H,28,30)/t20-,24+/m0/s1" . "CCON=C(c1ccc(c(c1)F)F)c1ccc(cn1)CN1CCC2(CC1)OCc1c2cc(=O)n(c1)C" . "CCO/N=C(/c1ccc(c(c1)F)F)/c1ccc(cn1)CN1CCC2(CC1)OCc1c2cc(=O)n(c1)C" . "FPPIDMVDDSIXTQ-GKPLWNPISA-N" . "InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26+" . "CC(=O)NCCNC(c1cnc2c(c1)ccc(c2C)NC(=O)c1ccc(cc1)OCC1CC1)C" . "CC(=O)NCCN[C@@H](c1cnc2c(c1)ccc(c2C)NC(=O)c1ccc(cc1)OCC1CC1)C" . "HRYQXLHGNOJEHH-GOSISDBHSA-N" . "InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)/t18-/m1/s1" . "CC(=O)Nc1cccc(c1)C1CCN(CC1)CCCn1nc(c2ccc(c(c2)F)F)c2c(c1=O)cccc2" . "CC(=O)Nc1cccc(c1)C1CCN(CC1)CCCn1nc(c2ccc(c(c2)F)F)c2c(c1=O)cccc2" . "YVVMAGRTTSOPEO-UHFFFAOYSA-N" . "InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)" . "C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(C(C=CC=C(C(=O)NC(=CC1=O)C2=O)C)OC)OC(=O)N" . "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)/[C@@H]([C@H](/C=C/C=C(/C(=O)NC(=CC1=O)C2=O)/C)OC)OC(=O)N" . "AYUNIORJHRXIBJ-HTLBVUBBSA-N" . "InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9+,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1" . "OC1CC(O)CC(=CC=C2CCCC3(C2CCC3C(CC#CC(O)(C)C)C)C)C1" . "O[C@H]1C[C@H](O)CC(=C/C=C/2/CCC[C@]3([C@@H]2CC[C@@H]3[C@@H](CC#CC(O)(C)C)C)C)C1" . "HHGRMHMXKPQNGF-WNSNRMDMSA-N" . "InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1" . "CCCC(C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)NC1CCc2c(C1)c(F)cc(c2)F" . "CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F" . "VFCRKLWBYMDAED-REWPJTCUSA-N" . "InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1" . "O=C(C=Cc1cccnc1)NCCCCC1CCN(CC1)C(=O)c1ccccc1" . "O=C(/C=C/c1cccnc1)NCCCCC1CCN(CC1)C(=O)c1ccccc1" . "KPBNHDGDUADAGP-VAWYXSNFSA-N" . "InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+" . "COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1NC(=O)NN1CCOCC1" . "COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1NC(=O)NN1CCOCC1" . "XLSYZSRXVVCHLS-UHFFFAOYSA-N" . "InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)" . "Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1" . "Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1" . "JEGHXKRHKHPBJD-UHFFFAOYSA-N" . "InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)C(CC)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)Cc1ccccc1)CCC(=O)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(C)C)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccc(cc1)O)CC(C)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)CCCN=C(N)N)Cc1ccc(cc1)O)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)Cc1ccccc1)CCC(=O)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(C)C)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccc(cc1)O)CC(C)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)CCCN=C(N)N)Cc1ccc(cc1)O)C" . "MNFKIRAJURGUGP-CWBJURCASA-N" . "InChI=1S/C203H282N50O42/c1-16-113(11)165(192(288)229-143(44-31-85-222-203(214)215)174(270)247-161(198(294)295)102-128-61-77-138(263)78-62-128)248-188(284)156(99-125-55-71-135(260)72-56-125)239-185(281)155(98-124-53-69-134(259)70-54-124)244-193(289)166(114(12)17-2)249-191(287)163-46-33-87-253(163)196(292)159(101-127-59-75-137(262)76-60-127)245-173(269)141(42-29-83-220-201(210)211)227-186(282)158(103-129-105-216-107-223-129)241-176(272)145(88-109(3)4)231-181(277)150(93-119-36-23-19-24-37-119)235-172(268)142(43-30-84-221-202(212)213)230-194(290)167(116(14)254)250-187(283)148(91-112(9)10)233-183(279)152(96-122-49-65-132(257)66-50-122)236-171(267)140(41-28-82-219-200(208)209)226-179(275)151(95-121-47-63-131(256)64-48-121)238-177(273)147(90-111(7)8)243-195(291)168(117(15)255)251-189(285)157(100-126-57-73-136(261)74-58-126)240-184(280)153(97-123-51-67-133(258)68-52-123)237-175(271)144(79-80-164(205)264)228-180(276)154(94-120-38-25-20-26-39-120)242-190(286)162-45-32-86-252(162)197(293)160(104-130-106-217-108-224-130)246-178(274)146(89-110(5)6)232-182(278)149(92-118-34-21-18-22-35-118)234-170(266)139(225-169(265)115(13)204)40-27-81-218-199(206)207/h18-26,34-39,47-78,105-117,139-163,165-168,254-263H,16-17,27-33,40-46,79-104,204H2,1-15H3,(H2,205,264)(H,216,223)(H,217,224)(H,225,265)(H,226,275)(H,227,282)(H,228,276)(H,229,288)(H,230,290)(H,231,277)(H,232,278)(H,233,279)(H,234,266)(H,235,268)(H,236,267)(H,237,271)(H,238,273)(H,239,281)(H,240,280)(H,241,272)(H,242,286)(H,243,291)(H,244,289)(H,245,269)(H,246,274)(H,247,270)(H,248,284)(H,249,287)(H,250,283)(H,251,285)(H,294,295)(H4,206,207,218)(H4,208,209,219)(H4,210,211,220)(H4,212,213,221)(H4,214,215,222)/t113-,114-,115-,116+,117+,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,165-,166-,167-,168-/m0/s1" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C" . "AILRADAXUVEEIR-UHFFFAOYSA-N" . "InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)" . "COc1cc(ccc1Nc1ncnc(n1)Nc1ccccc1S(=O)(=O)C(C)C)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncnc(n1)Nc1ccccc1S(=O)(=O)C(C)C)N1CCC(CC1)N1CCN(CC1)C" . "MGGBYMDAPCCKCT-UHFFFAOYSA-N" . "InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)" . "CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N" . "CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N" . "KDGFLJKFZUIJMX-UHFFFAOYSA-N" . "InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3" . "CNCc1ccc(cc1)c1[nH]c2c3c1CCNC(=O)c3cc(c2)F" . "CNCc1ccc(cc1)c1[nH]c2c3c1CCNC(=O)c3cc(c2)F" . "HMABYWSNWIZPAG-UHFFFAOYSA-N" . "InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)" . "COc1ccc2c(c1)c(C)cc(n2)NCCCNCc1cscc1" . "COc1ccc2c(c1)c(C)cc(n2)NCCCNCc1cscc1" . "ZDKZIFSAJUTJSK-UHFFFAOYSA-N" . "InChI=1S/C19H23N3OS/c1-14-10-19(22-18-5-4-16(23-2)11-17(14)18)21-8-3-7-20-12-15-6-9-24-13-15/h4-6,9-11,13,20H,3,7-8,12H2,1-2H3,(H,21,22)" . "O=C(c1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)Nc1ccnc(c1)C(F)(F)F" . "O=C(c1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)Nc1ccnc(c1)C(F)(F)F" . "QOTCLGLPFWDADD-UHFFFAOYSA-N" . "InChI=1S/C23H18F3N5O2/c1-13-3-4-14(21(32)30-16-7-8-27-20(11-16)23(24,25)26)9-19(13)29-15-5-6-18-17(10-15)22(33)31(2)12-28-18/h3-12,29H,1-2H3,(H,27,30,32)" . "CNC(C(=O)NC(C(=O)N1CCCC1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C" . "CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C" . "WZRFLSDVFPIXOV-LRQRDZAKSA-N" . "InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1" . "CNC(C(=O)NC1CN(CCC2N(C1=O)C(CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccccc1)C" . "CN[C@H](C(=O)N[C@H]1CN(CC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccccc1)C" . "YBYZHVZWINISJO-XPSCAIQQSA-N" . "InChI=1S/C35H41N5O4/c1-24(36-2)33(42)37-29-23-39(31(41)22-25-12-6-3-7-13-25)21-20-28-18-19-30(40(28)35(29)44)34(43)38-32(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24,28-30,32,36H,18-23H2,1-2H3,(H,37,42)(H,38,43)/t24-,28+,29-,30-/m0/s1" . "CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2" . "CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2" . "OUKYUETWWIPKQR-UHFFFAOYSA-N" . "InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)" . "CNC(C(=O)NC1CN(CCC2N(C1=O)C(CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C)C" . "CN[C@H](C(=O)N[C@H]1CN(CC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C)C" . "LSXUTRRVVSPWDZ-MKKUMYSQSA-N" . "InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1" . "O=c1[nH]c(=S)n(c2c1[nH]cn2)CC1CCCO1" . "O=c1[nH]c(=S)n(c2c1[nH]cn2)C[C@H]1CCCO1" . "RSPDBEVKURKEII-ZCFIWIBFSA-N" . "InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1" . "O=C(C1CC=NN1C(=O)C(c1ccc(cc1)F)O)NCc1cc(Cl)ccc1n1cnnn1" . "O=C([C@@H]1CC=NN1C(=O)[C@@H](c1ccc(cc1)F)O)NCc1cc(Cl)ccc1n1cnnn1" . "GMKHQRCPNMGCIX-ZWKOTPCHSA-N" . "InChI=1S/C20H17ClFN7O3/c21-14-3-6-16(28-11-24-26-27-28)13(9-14)10-23-19(31)17-7-8-25-29(17)20(32)18(30)12-1-4-15(22)5-2-12/h1-6,8-9,11,17-18,30H,7,10H2,(H,23,31)/t17-,18+/m0/s1" . "Fc1cc(Oc2cccnc2)cc(c1)n1nnc(n1)c1ccccn1" . "Fc1cc(Oc2cccnc2)cc(c1)n1nnc(n1)c1ccccn1" . "IQSMPFFGKFZZMI-UHFFFAOYSA-N" . "InChI=1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H" . "CCC(=O)OC(C(=O)N1N=CCC1C(=O)NCc1cc(Cl)ccc1n1cnnn1)c1ccc(cc1)F" . "CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1n1cnnn1)c1ccc(cc1)F" . "YUHNXUAATAMVKD-PZJWPPBQSA-N" . "InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1" . "O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1" . "O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1" . "IVANYIPLGFVBGR-UHFFFAOYSA-N" . "InChI=1S/C24H29N3O3S/c1-24(2,3)27-23(28)21(22(31(27,29)30)18-10-6-4-7-11-18)25-19-12-14-20(15-13-19)26-16-8-5-9-17-26/h4,6-7,10-15,25H,5,8-9,16-17H2,1-3H3" . "O=C(NC(c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)C1CC1" . "O=C(N[C@@H](c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)C1CC1" . "GEYDMBNDOVPFJL-CYBMUJFWSA-N" . "InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1" . "Clc1cc(Cl)cc(c1)C(=O)NCC1(F)CCN(CC1)CC1CCOC(C1)(C)C" . "Clc1cc(Cl)cc(c1)C(=O)NCC1(F)CCN(CC1)C[C@H]1CCOC(C1)(C)C" . "DKNDOKIVCXTFHJ-HNNXBMFYSA-N" . "InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1" . "O=C(CC12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1C)C(=O)N1CC2CNCC(C1)O2" . "O=C(CC12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1C)C(=O)N1CC2CNCC(C1)O2" . "XYNNEMHCLNODBL-UHFFFAOYSA-N" . "InChI=1S/C26H35N3O3/c1-16-2-3-20(25(31)29-14-21-12-27-13-22(15-29)32-21)7-23(16)28-24(30)11-26-8-17-4-18(9-26)6-19(5-17)10-26/h2-3,7,17-19,21-22,27H,4-6,8-15H2,1H3,(H,28,30)" . "Clc1cccc(c1Cl)C1CCN(CC1)CCCOc1ccc2c(c1)ncs2" . "Clc1cccc(c1Cl)C1CCN(CC1)CCCOc1ccc2c(c1)ncs2" . "URYZTMIOHYGTNJ-UHFFFAOYSA-N" . "InChI=1S/C21H22Cl2N2OS/c22-18-4-1-3-17(21(18)23)15-7-10-25(11-8-15)9-2-12-26-16-5-6-20-19(13-16)24-14-27-20/h1,3-6,13-15H,2,7-12H2" . "Fc1cc(Cl)c(cc1S(=O)(=O)Nc1ccccc1F)C(=O)N1CCN2C(C1)CCC2" . "Fc1cc(Cl)c(cc1S(=O)(=O)Nc1ccccc1F)C(=O)N1CCN2[C@@H](C1)CCC2" . "AGPIHNZOZNKRGT-CYBMUJFWSA-N" . "InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1" . "O=C(c1cc(Cl)cc(c1)Cl)NCC1C2C1CN(C2)CCC(C)(C)C" . "O=C(c1cc(Cl)cc(c1)Cl)NC[C@@H]1[C@@H]2[C@H]1CN(C2)CCC(C)(C)C" . "GSJIGYLGKSBYBC-OSYLJGHBSA-N" . "InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC" . "DUYJMQONPNNFPI-UHFFFAOYSA-N" . "InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)" . "O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1cc(F)cc(c1)Cl" . "O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1cc(F)cc(c1)Cl" . "JOCLITFYIMJMNK-UHFFFAOYSA-N" . "InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)" . "CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl" . "CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl" . "DFJSJLGUIXFDJP-UHFFFAOYSA-N" . "InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)" . "Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C" . "Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C" . "SMQVBAGSZVHCJP-UHFFFAOYSA-N" . "InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30)" . "O=C(c1cnn(c1C(C)(C)C)c1ccc(cc1)C(=O)O)NC1C2CC3CC1CC(C2)C3" . "O=C(c1cnn(c1C(C)(C)C)c1ccc(cc1)C(=O)O)NC1C2CC3CC1CC(C2)C3" . "XWBXJBSVYVJAMZ-UHFFFAOYSA-N" . "InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)" . "OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOCC1C)N1CCOCC1C" . "OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C" . "KVLFRAWTRWDEDF-IRXDYDNUSA-N" . "InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1" . "NC(=O)Nc1cc(sc1C(=O)NC1CCCNC1)c1cccc(c1)F" . "NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)c1cccc(c1)F" . "IAYGCINLNONXHY-LBPRGKRZSA-N" . "InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1" . "CCCNC(=O)c1nnc2c(c1N)cccc2c1c(F)cccc1OC" . "CCCNC(=O)c1nnc2c(c1N)cccc2c1c(F)cccc1OC" . "KYDURMHFWXCKMW-UHFFFAOYSA-N" . "InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)" . "CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)F)C(=O)N" . "CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)F)C(=O)N" . "IBHNEKVLDKCEQY-UHFFFAOYSA-N" . "InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)" . "CNC(C(=O)NC(C(=O)N1CCCC1C(=O)NC1C(OCC#CC#CCOC2Cc3c(C2NC(=O)C2CCCN2C(=O)C(C2CCCCC2)NC(=O)C(NC)C)cccc3)Cc2c1cccc2)C1CCCCC1)C" . "CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](OCC#CC#CCO[C@@H]2Cc3c([C@@H]2NC(=O)[C@@H]2CCCN2C(=O)[C@H](C2CCCCC2)NC(=O)[C@@H](NC)C)cccc3)Cc2c1cccc2)C1CCCCC1)C" . "WLMCRYCCYXHPQF-ZVMUOSSASA-N" . "InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1" . "OCCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2" . "OCC[C@@H](c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2" . "JDUBGYFRJFOXQC-KRWDZBQOSA-N" . "InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1" . "NCCCN(C(c1nc2snc(c2c(=O)n1Cc1ccccc1)C)C(C)C)C(=O)c1ccc(cc1)C" . "NCCCN(C(c1nc2snc(c2c(=O)n1Cc1ccccc1)C)C(C)C)C(=O)c1ccc(cc1)C" . "SMFXSYMLJDHGIE-UHFFFAOYSA-N" . "InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3" . "COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2CC(C)NC(C2)C)cc(c1)OC" . "COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC" . "VRQMAABPASPXMW-HDICACEKSA-N" . "InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+" . "COc1cc(ccc1Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)N1CCC(CC1)N" . "COc1cc(ccc1Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)N1CCC(CC1)N" . "GCYIGMXOIWJGBU-UHFFFAOYSA-N" . "InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)" . "NCC(CP(=O)O)F" . "NC[C@H](CP(=O)O)F" . "LJNUIEQATDYXJH-GSVOUGTGSA-N" . "InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1" . "OC1CN(C1)CC(N(C(=O)c1ccc(c(c1)C)F)C)C(C)C" . "OC1CN(C1)C[C@@H](N(C(=O)c1ccc(c(c1)C)F)C)C(C)C" . "GAHPWXLXWUVMIV-MRXNPFEDSA-N" . "InChI=1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1" . "O=C(c1cnc2c(n1)cccc2)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1" . "O=C(c1cnc2c(n1)cccc2)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1" . "IASPBORHOMBZMY-UHFFFAOYSA-N" . "InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)" . "C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C" . "C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C" . "BKWJAKQVGHWELA-UHFFFAOYSA-N" . "InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)" . "CC(Oc1n[nH]c(c1)Nc1nc(ncc1Cl)NC(c1ccc(cn1)F)C)C" . "CC(Oc1n[nH]c(c1)Nc1nc(ncc1Cl)NC(c1ccc(cn1)F)C)C" . "LBVKEEFIPBQIMD-UHFFFAOYSA-N" . "InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)" . "CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOCC1C)N1CCOCC1C" . "CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C" . "JUSFANSTBFGBAF-IRXDYDNUSA-N" . "InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1" . "NC1CCCN(C1)c1c(cccc1c1ccccc1)C=C1SC(=O)NC1=O" . "N[C@@H]1CCCN(C1)c1c(cccc1c1ccccc1)/C=C/1/SC(=O)NC1=O" . "MCUJKPPARUPFJM-UWCCDQBKSA-N" . "InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1" . "[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)COCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]" . "[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)COCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]" . "ZQPXNYLXYNRFNP-UHFFFAOYSA-N" . "InChI=1S/C16H12N6O5/c23-21(24)9-1-3-11-13(5-9)19-15(17-11)7-27-8-16-18-12-4-2-10(22(25)26)6-14(12)20-16/h1-6H,7-8H2,(H,17,19)(H,18,20)" . "CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCCC(C1)CC(=O)O" . "CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@H](C1)CC(=O)O" . "NCDZABJPWMBMIQ-INIZCTEOSA-N" . "InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1" . "N#Cc1ccc2c(c1)CN(CC2)CCC1CCC(CC1)NC(=O)c1cc2c([nH]1)cccc2" . "N#Cc1ccc2c(c1)CN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1cc2c([nH]1)cccc2" . "JGLGOAQPUQITLD-OGAOHHHESA-N" . "InChI=1S/C27H30N4O/c28-17-20-5-8-21-12-14-31(18-23(21)15-20)13-11-19-6-9-24(10-7-19)29-27(32)26-16-22-3-1-2-4-25(22)30-26/h1-5,8,15-16,19,24,30H,6-7,9-14,18H2,(H,29,32)/t19-,24-" . "COc1ccc(cc1C(=O)O)CN(C(c1ncc([nH]1)c1ccccc1)C)C(=O)C(Cc1c(C)cc(cc1C)C(=O)N)N" . "COc1ccc(cc1C(=O)O)CN([C@H](c1ncc([nH]1)c1ccccc1)C)C(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)N" . "QFNHIDANIVGXPE-FNZWTVRRSA-N" . "InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1" . "FC(Oc1cc(Cl)cc(c1)C(C(=O)N1CCC1C(=O)NCc1ccc(cc1)C(=N)N)O)F" . "FC(Oc1cc(Cl)cc(c1)[C@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)O)F" . "QTUUCFVBSVJGOH-DLBZAZTESA-N" . "InChI=1S/C21H21ClF2N4O4/c22-14-7-13(8-15(9-14)32-21(23)24)17(29)20(31)28-6-5-16(28)19(30)27-10-11-1-3-12(4-2-11)18(25)26/h1-4,7-9,16-17,21,29H,5-6,10H2,(H3,25,26)(H,27,30)/t16-,17+/m0/s1" . "CN1CCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(ccc1C)C(=O)NC1CC1" . "CN1CCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(ccc1C)C(=O)NC1CC1" . "ZMAZXHICVRYLQN-UHFFFAOYSA-N" . "InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)" . "CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CCC(c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C" . "CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C" . "QOSMEMHKXNNIGG-SSEXGKCCSA-N" . "InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1" . "CCCN1CC(OCC1C)c1ccc(nc1)N" . "CCCN1C[C@H](OC[C@@H]1C)c1ccc(nc1)N" . "DFTCYTDJDXZFSK-JQWIXIFHSA-N" . "InChI=1S/C13H21N3O/c1-3-6-16-8-12(17-9-10(16)2)11-4-5-13(14)15-7-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H2,14,15)/t10-,12-/m0/s1" . "CON=C(c1ccc(cc1)CNC(=O)C1CCN1C(=O)C(c1cc(Cl)cc(c1)OC(F)F)O)N" . "CO/N=C(/c1ccc(cc1)CNC(=O)[C@@H]1CCN1C(=O)[C@@H](c1cc(Cl)cc(c1)OC(F)F)O)/N" . "XSNMGLZVFNDDPW-ZWKOTPCHSA-N" . "InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1" . "NC(c1ccccc1)Cc1ccccn1" . "N[C@H](c1ccccc1)Cc1ccccn1" . "FWUQWDCOOWEXRY-ZDUSSCGKSA-N" . "InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1" . "CC(=O)Nc1cccc2c1c(Sc1ccc(cc1)Cl)c(n2CC(=O)O)C" . "CC(=O)Nc1cccc2c1c(Sc1ccc(cc1)Cl)c(n2CC(=O)O)C" . "JWYIGNODXSRKGP-UHFFFAOYSA-N" . "InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)" . "Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O" . "Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O" . "TZBJGXHYKVUXJN-UHFFFAOYSA-N" . "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H" . "Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(c(c1)Cl)Cl" . "Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(c(c1)Cl)Cl" . "QVLZVRFIGXNZMN-UHFFFAOYSA-N" . "InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)" . "Cc1cc(cc2c1C(=O)N(C2)Cc1ccc(cc1)OC(F)(F)F)c1onc(n1)CN1CCNCC1" . "Cc1cc(cc2c1C(=O)N(C2)Cc1ccc(cc1)OC(F)(F)F)c1onc(n1)CN1CCNCC1" . "IPCYZQQFECEHLI-UHFFFAOYSA-N" . "InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3" . "OC(=O)c1cccnc1Nc1ccc2c(c1)CN(C2)c1ccc(c(c1)Cl)Cl" . "OC(=O)c1cccnc1Nc1ccc2c(c1)CN(C2)c1ccc(c(c1)Cl)Cl" . "WNXIPCSWXVTKQF-UHFFFAOYSA-N" . "InChI=1S/C20H15Cl2N3O2/c21-17-6-5-15(9-18(17)22)25-10-12-3-4-14(8-13(12)11-25)24-19-16(20(26)27)2-1-7-23-19/h1-9H,10-11H2,(H,23,24)(H,26,27)" . "NC(C(=O)O)Cc1c[nH]cn1" . "N[C@H](C(=O)O)Cc1c[nH]cn1" . "HNDVDQJCIGZPNO-YFKPBYRVSA-N" . "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1" . "OC(=O)c1ccccc1Nc1ccc(cc1)CCc1ccc(c(c1)Cl)Cl" . "OC(=O)c1ccccc1Nc1ccc(cc1)CCc1ccc(c(c1)Cl)Cl" . "ZCQOSCDABPVAFB-UHFFFAOYSA-N" . "InChI=1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)" . "OC(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br" . "OC(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br" . "FGQFOYHRJSUHMR-UHFFFAOYSA-N" . "InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)" . "O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2" . "O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2" . "ZKIAIYBUSXZPLP-UHFFFAOYSA-N" . "InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)" . "O=C(N(C)C)NC1CCC(CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl" . "O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl" . "KPWSJANDNDDRMB-QAQDUYKDSA-N" . "InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-" . "CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F" . "CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F" . "XVGOZDAJGBALKS-UHFFFAOYSA-N" . "InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3" . "Clc1nc(Cl)c(cc1c1cc(=O)n2c([nH]1)c(c1ccccc1)c(n2)C(F)(F)F)F" . "Clc1nc(Cl)c(cc1c1cc(=O)n2c([nH]1)c(c1ccccc1)c(n2)C(F)(F)F)F" . "JEXACLGXUUYXDX-UHFFFAOYSA-N" . "InChI=1S/C18H8Cl2F4N4O/c19-15-9(6-10(21)16(20)26-15)11-7-12(29)28-17(25-11)13(8-4-2-1-3-5-8)14(27-28)18(22,23)24/h1-7,25H" . "Fc1ccc(cc1)C(=O)Nc1ccc(nc1)Cl" . "Fc1ccc(cc1)C(=O)Nc1ccc(nc1)Cl" . "URPKVELJRWKNQS-UHFFFAOYSA-N" . "InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)" . "Clc1ccc(cn1)NC(=O)c1ccc(c(c1)F)F" . "Clc1ccc(cn1)NC(=O)c1ccc(c(c1)F)F" . "GDGUOCFTHNGPBK-UHFFFAOYSA-N" . "InChI=1S/C12H7ClF2N2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(15)5-7/h1-6H,(H,17,18)" . "COc1ccc(cc1)c1csc(n1)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(cc1)C" . "COc1ccc(cc1)c1csc(n1)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C" . "OXQNLLVUVDAEHC-OAQYLSRUSA-N" . "InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)/t21-/m1/s1" . "O=C(C1CC2CC1CC2)Nc1c(C)cc(cc1C)C" . "O=C(C1CC2CC1CC2)Nc1c(C)cc(cc1C)C" . "SIQGKPGBLYKQBB-UHFFFAOYSA-N" . "InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)" . "CC(N1C(=S)SC(=Cc2ccc(cc2)N(C)C)C1=O)C(=O)O" . "CC(N1C(=S)S/C(=C/c2ccc(cc2)N(C)C)/C1=O)C(=O)O" . "XGTGMKYGVNHPTC-WQLSENKSSA-N" . "InChI=1S/C15H16N2O3S2/c1-9(14(19)20)17-13(18)12(22-15(17)21)8-10-4-6-11(7-5-10)16(2)3/h4-9H,1-3H3,(H,19,20)/b12-8-" . "S=C(Nc1c(C)cccc1Cl)NC(c1ccccc1)Cc1ccccc1" . "S=C(Nc1c(C)cccc1Cl)NC(c1ccccc1)Cc1ccccc1" . "LHTLPGOZLLOCIS-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN2S/c1-16-9-8-14-19(23)21(16)25-22(26)24-20(18-12-6-3-7-13-18)15-17-10-4-2-5-11-17/h2-14,20H,15H2,1H3,(H2,24,25,26)" . "O=C(Nc1cccnc1)COc1ccc2c(c1Br)cccc2" . "O=C(Nc1cccnc1)COc1ccc2c(c1Br)cccc2" . "WLLRAGBPCSOJNH-UHFFFAOYSA-N" . "InChI=1S/C17H13BrN2O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)22-11-16(21)20-13-5-3-9-19-10-13/h1-10H,11H2,(H,20,21)" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)c1cc([nH]n1)C(F)(F)F" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1cc([nH]n1)C(F)(F)F" . "YPHFQSYEKIEMNC-HAQNSBGRSA-N" . "InChI=1S/C18H19F3N2O2/c19-18(20,21)16-10-15(22-23-16)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-17(24)25/h5-8,10-12H,1-4,9H2,(H,22,23)(H,24,25)/t11-,12-" . "CN(CCC=C1c2ccccc2SCc2c1cccc2)C" . "CN(CC/C=C/1/c2ccccc2SCc2c1cccc2)C" . "PHTUQLWOUWZIMZ-BOPFTXTBSA-N" . "InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-" . "O=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cccc(c1)C(F)(F)F" . "O=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cccc(c1)C(F)(F)F" . "JXPULDIATMTIIN-UHFFFAOYSA-N" . "InChI=1S/C15H10BrF3N6O/c16-9-4-5-12(11(7-9)13-22-24-25-23-13)21-14(26)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H2,20,21,26)(H,22,23,24,25)" . "OC(=O)COc1c(I)cc(cc1I)Cc1c(C)oc2c1cccc2" . "OC(=O)COc1c(I)cc(cc1I)Cc1c(C)oc2c1cccc2" . "OLIKCJUMYWSDIV-UHFFFAOYSA-N" . "InChI=1S/C18H14I2O4/c1-10-13(12-4-2-3-5-16(12)24-10)6-11-7-14(19)18(15(20)8-11)23-9-17(21)22/h2-5,7-8H,6,9H2,1H3,(H,21,22)" . "CCOc1cc2ncc(c(c2cc1NC(=O)C=CCN(C)C)Nc1ccc(c(c1)Cl)F)C#N" . "CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)F)C#N" . "WVUNYSQLFKLYNI-AATRIKPKSA-N" . "InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+" . "OCC1OC(OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3C2(C)CCC3C(CCC=C(C)C)(O)C)C)C)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O" . "RWXIFXNRCLMQCD-JBVRGBGGSA-N" . "InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1" . "COc1ccc2c(c1)c(ccn2)C(=O)CCC1CCN(CC1C(=O)O)CC#Cc1cc(F)cc(c1F)F" . "COc1ccc2c(c1)c(ccn2)C(=O)CC[C@@H]1CCN(C[C@@H]1C(=O)O)CC#Cc1cc(F)cc(c1F)F" . "VWNMWKSURFWKAL-HXOBKFHXSA-N" . "InChI=1S/C28H25F3N2O4/c1-37-20-5-6-25-22(15-20)21(8-10-32-25)26(34)7-4-17-9-12-33(16-23(17)28(35)36)11-2-3-18-13-19(29)14-24(30)27(18)31/h5-6,8,10,13-15,17,23H,4,7,9,11-12,16H2,1H3,(H,35,36)/t17-,23+/m1/s1" . "O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Oc1ccccc1" . "O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Oc1ccccc1" . "GDWKBKTVROCPNZ-UHFFFAOYSA-N" . "InChI=1S/C19H14N2O4/c22-19(14-5-4-6-16(13-14)21(23)24)20-15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)" . "CCCCC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O" . "CCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O" . "RSEPBGGWRJCQGY-RBRWEJTLSA-N" . "InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1" . "N#CCC1(O)CCC2C1(C)CCC1=C3CCC(=O)C=C3CCC21" . "N#CC[C@]1(O)CC[C@@H]2[C@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@H]21" . "AZFLJNIPTRTECV-FUMNGEBKSA-N" . "InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1" . "FCCCN1C2CCC1C(C(C2)c1ccc(cc1)I)C(=O)OC" . "FCCCN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(cc1)[123I])C(=O)OC" . "HXWLAJVUJSVENX-HFIFKADTSA-N" . "InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1/i20-4" . "O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl" . "O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl" . "NGCKUAWDNUFNBB-UHFFFAOYSA-N" . "InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)" . "O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl" . "O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl" . "JQSRFMXTGAVHIR-UHFFFAOYSA-N" . "InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)" . "CNC(=O)c1cccc2c1ccc(c2)Oc1ccnc2c1cc(OC)c(c2)OCC1(N)CC1" . "CNC(=O)c1cccc2c1ccc(c2)Oc1ccnc2c1cc(OC)c(c2)OCC1(N)CC1" . "CUDVHEFYRIWYQD-UHFFFAOYSA-N" . "InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)" . "N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1" . "N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1" . "WPEWQEMJFLWMLV-UHFFFAOYSA-N" . "InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)" . "O=C(Nc1cn2c(c1C)c(ncn2)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F)OCC1COCCN1" . "O=C(Nc1cn2c(c1C)c(ncn2)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F)OC[C@@H]1COCCN1" . "LUJZZYWHBDHDQX-QFIPXVFZSA-N" . "InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1" . "CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F" . "CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F" . "FTFRZXFNZVCRSK-UHFFFAOYSA-N" . "InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)" . "CC1COC(=N1)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1nccs1" . "C[C@@H]1COC(=N1)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1nccs1" . "UWXSAYUXVSFDBQ-CYBMUJFWSA-N" . "InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1" . "Clc1ccc(cc1)SC(P(=O)(O)O)P(=O)(O)O" . "Clc1ccc(cc1)SC(P(=O)(O)O)P(=O)(O)O" . "DKJJVAGXPKPDRL-UHFFFAOYSA-N" . "InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)" . "CCN1CCN(CC1)Cc1ccc(cc1)c1cc2c([nH]1)ncnc2NC(c1ccccc1)C" . "CCN1CCN(CC1)Cc1ccc(cc1)c1cc2c([nH]1)ncnc2N[C@@H](c1ccccc1)C" . "OONFNUWBHFSNBT-HXUWFJFHSA-N" . "InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1" . "Oc1ccc(cc1)c1[nH]c2c(c1)c(ncn2)NC(c1ccccc1)C" . "Oc1ccc(cc1)c1[nH]c2c(c1)c(ncn2)N[C@@H](c1ccccc1)C" . "XRYJULCDUUATMC-CYBMUJFWSA-N" . "InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1" . "C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2" . "C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2" . "QQLKULDARVNMAL-UHFFFAOYSA-N" . "InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)" . "COc1cc2ncnc(c2cc1OCCN1CC2(C3(C1)CC3)OCCO2)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCN1CC2(C3(C1)CC3)OCCO2)Nc1ccc(c(c1)Cl)F" . "OXWUWXCJDBRCCG-UHFFFAOYSA-N" . "InChI=1S/C25H26ClFN4O4/c1-32-21-12-20-17(23(29-15-28-20)30-16-2-3-19(27)18(26)10-16)11-22(21)33-7-6-31-13-24(4-5-24)25(14-31)34-8-9-35-25/h2-3,10-12,15H,4-9,13-14H2,1H3,(H,28,29,30)" . "CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1" . "CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1" . "GKWPCEFFIHSJOE-UHFFFAOYSA-N" . "InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3" . "O=c1[nH]c2cc(c(cc2n(c1=O)CP(=O)(O)O)N1CCOCC1)C(F)(F)F" . "O=c1[nH]c2cc(c(cc2n(c1=O)CP(=O)(O)O)N1CCOCC1)C(F)(F)F" . "WZMQMKNCWDCCMT-UHFFFAOYSA-N" . "InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)" . "Clc1cccc(c1CON=Cc1cc[n+](cc1)CCC[n+]1ccc(cc1)C=NOCc1c(Cl)cccc1Cl)Cl" . "Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl" . "RAHLDBGBLYIYDN-WKCPDWHCSA-N" . "InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+" . "C1CN=C(N1)COc1ccccc1C1CC1" . "C1CN=C(N1)COc1ccccc1C1CC1" . "YAORIDZYZDUZCM-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)" . "O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2" . "O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2" . "OSALRKZRWVYPFR-UHFFFAOYSA-N" . "InChI=1S/C33H46N4O4/c1-36(2,24-14-20-34-30(38)26-16-8-9-17-27(26)31(34)39)22-12-6-5-7-13-23-37(3,4)25-15-21-35-32(40)28-18-10-11-19-29(28)33(35)41/h8-11,16-19H,5-7,12-15,20-25H2,1-4H3/q+2" . "O=C(C1Sc2c(C1N)c(C)cc(n2)C)NCc1ccc(cc1)Cl" . "O=C(C1Sc2c(C1N)c(C)cc(n2)C)NCc1ccc(cc1)Cl" . "IKKFWVKRPITRNW-UHFFFAOYSA-N" . "InChI=1S/C17H18ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7,14-15H,8,19H2,1-2H3,(H,20,22)" . "Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O" . "Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O" . "DELLOEULSHGYCG-UHFFFAOYSA-N" . "InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2" . "Clc1ccc(cc1)C12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F" . "Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F" . "GXBAKXRLQAPKEE-QHCPKHFHSA-N" . "InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1" . "CCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C" . "CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "LBERVHLCXUMDOT-MPZZESAYSA-N" . "InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1" . "CC(CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)C" . "CC(CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C" . "PPYHLSBUTAPNGT-BKWLFHPQSA-N" . "InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1" . "O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)CCc1ccccc1" . "O=C(O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)CCc1ccccc1" . "HHSXYDOROIURIP-FEZCWRLCSA-N" . "InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1" . "Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)C1CCCCN1" . "Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)[C@@H]1CCCCN1" . "BSMCAPRUBJMWDF-KRWDZBQOSA-N" . "InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1" . "COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2" . "COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2" . "MNHDKMDLOJSCGN-UHFFFAOYSA-N" . "InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)" . "Fc1ccc(cc1)C1C(OCCN1Cc1nc(=O)n([nH]1)P(=O)(O)O)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1nc(=O)n([nH]1)P(=O)(O)O)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "BARDROPHSZEBKC-OITMNORJSA-N" . "InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1" . "S=P(N1CC1)(N1CC1)N1CC1" . "S=P(N1CC1)(N1CC1)N1CC1" . "FOCVUCIESVLUNU-UHFFFAOYSA-N" . "InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2" . "ClCCN(c1c[nH]c(=O)[nH]c1=O)CCCl" . "ClCCN(c1c[nH]c(=O)[nH]c1=O)CCCl" . "IDPUKCWIGUEADI-UHFFFAOYSA-N" . "InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)" . "ClCCN(c1ccc(cc1)CC(C(=O)O)N)CCCl" . "ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl" . "SGDBTWWWUNNDEQ-LBPRGKRZSA-N" . "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1" . "CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC" . "CCN(CCOc1ccc(cc1)/C(=C(/c1ccccc1)/Cl)/c1ccccc1)CC" . "GKIRPKYJQBWNGO-OCEACIFDSA-N" . "InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+" . "CNC(=NC)NCc1ccccc1" . "CNC(=NC)NCc1ccccc1" . "NIVZHWNOUVJHKV-UHFFFAOYSA-N" . "InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)" . "OCC(COc1ccccc1OC)O" . "OCC(COc1ccccc1OC)O" . "HSRJKNPTNIJEKV-UHFFFAOYSA-N" . "InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3" . "Nc1ccc(c(n1)N)N=Nc1ccccc1" . "Nc1ccc(c(n1)N)N=Nc1ccccc1" . "QPFYXYFORQJZEC-UHFFFAOYSA-N" . "InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)" . "CCCC(C1(CC=C)C(=O)NC(=O)NC1=O)C" . "CCCC(C1(CC=C)C(=O)NC(=O)NC1=O)C" . "KQPKPCNLIDLUMF-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)" . "COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C" . "COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C" . "FEZBIKUBAYAZIU-UHFFFAOYSA-N" . "InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)" . "COc1cc(NCc2ccc3c(c2C)c(N)nc(n3)N)cc(c1OC)OC" . "COc1cc(NCc2ccc3c(c2C)c(N)nc(n3)N)cc(c1OC)OC" . "NOYPYLRCIDNJJB-UHFFFAOYSA-N" . "InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)" . "CN1C(=O)CC(C1=O)c1ccccc1" . "CN1C(=O)CC(C1=O)c1ccccc1" . "WLWFNJKHKGIJNW-UHFFFAOYSA-N" . "InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3" . "COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(cc1)NCCCC" . "COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(cc1)NCCCC" . "MAFMQEKGGFWBAB-UHFFFAOYSA-N" . "InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3" . "CCCC(COC(=O)N)(COC(=O)NC(C)C)C" . "CCCC(COC(=O)N)(COC(=O)NC(C)C)C" . "OFZCIYFFPZCNJE-UHFFFAOYSA-N" . "InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)" . "O=C1NCC(O1)COc1cc(C)cc(c1)C" . "O=C1NCC(O1)COc1cc(C)cc(c1)C" . "IMWZZHHPURKASS-UHFFFAOYSA-N" . "InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)" . "OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O" . "OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O" . "IMZMKUWMOSJXDT-UHFFFAOYSA-N" . "InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)" . "CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O" . "CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O" . "RQTOOFIXOKYGAN-UHFFFAOYSA-N" . "InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)" . "OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)CCC21C)F)(C)C" . "OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1C[C@@H](C1=CC(=O)CC[C@]21C)F)(C)C" . "POPFMWWJOGLOIF-XWCQMRHXSA-N" . "InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1" . "CCOC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)CC" . "CCOC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC" . "FNPXMHRZILFCKX-KAJVQRHHSA-N" . "InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1" . "COc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1" . "COc1ccc2c(c1)N(C[C@@H](CN(C)C)C)c1c(S2)cccc1" . "VRQVVMDWGGWHTJ-CQSZACIVSA-N" . "InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1" . "CCCN1CCCCC1C(=O)Nc1c(C)cccc1C" . "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C" . "ZKMNUMMKYBVTFN-HNNXBMFYSA-N" . "InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1" . "CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1" . "CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1" . "GIJXKZJWITVLHI-PMOLBWCYSA-N" . "InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+" . "CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C" . "C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C" . "SHGAZHPCJJPHSC-XFYACQKRSA-N" . "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-" . "CCOC(=O)C=C(C=CC=C(C=Cc1c(C)cc(c(c1C)C)OC)C)C" . "CCOC(=O)/C=C(/C=C/C=C(/C=C/c1c(C)cc(c(c1C)C)OC)/C)/C" . "HQMNCQVAMBCHCO-DJRRULDNSA-N" . "InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+" . "COc1cc(C)c(c(c1C)C)C=CC(=CC=CC(=CC(=O)O)C)C" . "COc1cc(C)c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C" . "IHUNBGSDBOWDMA-AQFIFDHZSA-N" . "InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+" . "ON=Cc1cccc[n+]1C" . "O/N=C/c1cccc[n+]1C" . "JBKPUQTUERUYQE-UHFFFAOYSA-O" . "InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1" . "OC(COc1cccc2c1cccc2)CNC(C)C" . "O[C@@H](COc1cccc2c1cccc2)CNC(C)C" . "AQHHHDLHHXJYJD-CQSZACIVSA-N" . "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1" . "Oc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C" . "Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C" . "JAQUASYNZVUNQP-USXIJHARSA-N" . "InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1" . "COc1ccc2c3c1OC1C43CCN(C(C2)C4CCC1O)C" . "COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1O)C" . "RBOXVHNMENFORY-DNJOTXNNSA-N" . "InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1" . "CCC(=O)OC(c1ccccc1)(C(CN(C)C)C)Cc1ccccc1" . "CCC(=O)O[C@](c1ccccc1)([C@@H](CN(C)C)C)Cc1ccccc1" . "XLMALTXPSGQGBX-GCJKJVERSA-N" . "InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1" . "N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1" . "N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1" . "UFIVBRCCIRTJTN-UHFFFAOYSA-N" . "InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)" . "Oc1ccc2c(c1)C13CCCCC3(C(C2)N(CC1)CC1CCC1)O" . "Oc1ccc2c(c1)[C@]13CCCC[C@]3([C@@H](C2)N(CC1)CC1CCC1)O" . "IFKLAQQSCNILHL-QHAWAJNXSA-N" . "InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1" . "C#CC1(O)CCC2C1(CC)CC(=C)C1C2CCC2=CC(=O)CCC12" . "C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC(=C)[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "GCKFUYQCUCGESZ-BPIQYHPVSA-N" . "InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)OS(=O)(=O)O" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)OS(=O)(=O)O" . "YRALAIOMGQZKOW-HYAOXDFASA-N" . "InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1" . "CN(CCC(c1ccccn1)c1ccc(cc1)Br)C" . "CN(CC[C@H](c1ccccn1)c1ccc(cc1)Br)C" . "ZDIGNSYAACHWNL-HNNXBMFYSA-N" . "InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1" . "O=Cc1cnc2n1CCc1c(C2=C2CCN(CC2)C)cccc1" . "O=Cc1cnc2n1CCc1c(C2=C2CCN(CC2)C)cccc1" . "MWTBKTRZPHJQLH-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3" . "COC(=O)N1CCC2C1CCCC2(O)C#Cc1cccc(c1)C" . "COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(c1)C" . "ZFPZEYHRWGMJCV-ZHALLVOQSA-N" . "InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1" . "CCS(=O)c1nc(cc(n1)C(F)(F)F)c1cccc(c1)OCc1ccccc1" . "CCS(=O)c1nc(cc(n1)C(F)(F)F)c1cccc(c1)OCc1ccccc1" . "NTDFYGSSDDMNHI-UHFFFAOYSA-N" . "InChI=1S/C20H17F3N2O2S/c1-2-28(26)19-24-17(12-18(25-19)20(21,22)23)15-9-6-10-16(11-15)27-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)N1CCc2c1ccc(c2)Oc1ncnc(c1)NC(=O)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)N1CCc2c1ccc(c2)Oc1ncnc(c1)NC(=O)C" . "VQLNKQZLPGLOSI-UHFFFAOYSA-N" . "InChI=1S/C28H30F3N7O3/c1-18(39)34-25-15-26(33-17-32-25)41-22-5-6-24-19(13-22)7-8-38(24)27(40)35-21-4-3-20(23(14-21)28(29,30)31)16-37-11-9-36(2)10-12-37/h3-6,13-15,17H,7-12,16H2,1-2H3,(H,35,40)(H,32,33,34,39)" . "OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C" . "OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C" . "WGSPBWSPJOBKNT-UHFFFAOYSA-N" . "InChI=1S/C15H18IN3O2/c1-9(2)18-7-10(20)8-21-13-5-3-4-11-14(13)15(16)12(6-17)19-11/h3-5,9-10,18-20H,7-8H2,1-2H3" . "COc1ccc(cc1)CC(NCC(c1ccc(c2c1ccc(=O)[nH]2)O)O)C" . "COc1ccc(cc1)C[C@H](NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)C" . "IHOXNOQMRZISPV-YJYMSZOUSA-N" . "InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1" . "Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "Nc1ncc(cc1O[C@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "KTEIFNKAUNYNJU-LBPRGKRZSA-N" . "InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1" . "CC(Oc1ccc(cc1)c1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O)C" . "CC(Oc1ccc(cc1)c1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O)C" . "DTXBFSJBRGLOHO-UHFFFAOYSA-N" . "InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)" . "COc1cccc(c1OC)C1OC(CC(=O)N2CCC(CC2)CC(=O)O)c2n(c3c1cc(Cl)cc3)ccc2" . "COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)N2CCC(CC2)CC(=O)O)c2n(c3c1cc(Cl)cc3)ccc2" . "MSSQOQPKGAMUSY-LEAFIULHSA-N" . "InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1" . "CN1CCc2c(C1)sc(n2)C(=O)NC1CC(CCC1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C" . "CN1CCc2c(C1)sc(n2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C" . "HGVDHZBSSITLCT-JLJPHGGASA-N" . "InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1" . "N#CC1=CC2(C)C(C(C1=O)(C)C)CCC1(C2=CC(=O)C2C1(C)CCC1(C2CC(C)(C)CC1)NC(=O)C(F)(F)C)C" . "N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)NC(=O)C(F)(F)C)C" . "RJCWBNBKOKFWNY-IDPLTSGASA-N" . "InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)CN)CCC(=O)O)CCC(=O)N)C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(C)C)Cc1ccc(cc1)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)Cc1[nH]cnc1)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N)CC(=O)N)CCC(=O)N)Cc1[nH]cnc1)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)[C@H](CC)C)CO)[C@H](O)C)C(=O)NCC(=O)O)CCC(=O)O)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O" . "CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)Cc2ccc(cc2)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)Cc2ccc(cc2)O)C(=O)NCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)CC(C)C)Cc2ccc(cc2)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)Cc2cnc[nH]2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN" . "COCFEDIXXNGUNL-RFKWWTKHSA-N" . "NC(=N)c1ccccc1" . "NC(=N)c1ccccc1" . "PXXJHWLDUBFPOL-UHFFFAOYSA-N" . "InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)" . "OC(=O)Cc1cccc(c1N)C(=O)c1ccccc1" . "OC(=O)Cc1cccc(c1N)C(=O)c1ccccc1" . "SOYCMDCMZDHQFP-UHFFFAOYSA-N" . "InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)" . "O=C1CCC2(C34C1Oc1c4c(CC2[N+](CC3)(C)CC2CC2)ccc1O)O" . "O=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2[N+](CC3)(C)CC2CC2)ccc1O)O" . "JVLBPIPGETUEET-GAAHOAFPSA-O" . "InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1" . "CC(=O)Oc1sc2c(c1)CN(CC2)C(c1ccccc1F)C(=O)C1CC1" . "CC(=O)Oc1sc2c(c1)CN(CC2)C(c1ccccc1F)C(=O)C1CC1" . "DTGLZDAWLRGWQN-UHFFFAOYSA-N" . "InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3" . "CC(OC(=O)C(C)C)OC(=O)NCC1(CCCCC1)CC(=O)O" . "CC(OC(=O)C(C)C)OC(=O)NCC1(CCCCC1)CC(=O)O" . "TZDUHAJSIBHXDL-UHFFFAOYSA-N" . "InChI=1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)" . "OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2" . "OCCN1CCN(CC1)CC/C=C/1/c2ccccc2Sc2c1cc(Cl)cc2" . "WFPIAZLQTJBIFN-DVZOWYKESA-N" . "InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-" . "OC(=O)CCCCCCNC1c2ccccc2N(S(=O)(=O)c2c1ccc(c2)Cl)C" . "OC(=O)CCCCCCNC1c2ccccc2N(S(=O)(=O)c2c1ccc(c2)Cl)C" . "JICJBGPOMZQUBB-UHFFFAOYSA-N" . "InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)" . "OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C" . "OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C" . "JOMHSQGEWSNUKU-UHFFFAOYSA-N" . "InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3" . "O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1CCCC2" . "O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2" . "FBVFZWUMDDXLLG-HDICACEKSA-N" . "InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+" . "O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C" . "O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C" . "QXWZQTURMXZVHJ-UHFFFAOYSA-N" . "InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)" . "CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2" . "CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2" . "SAPNXPWPAUFAJU-UHFFFAOYSA-N" . "InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3" . "Fc1cc(cnc1N1CCN(CC1)C(=O)c1cc(ccc1OC(C(F)(F)F)C)S(=O)(=O)C)C(F)(F)F" . "Fc1cc(cnc1N1CCN(CC1)C(=O)c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)C(F)(F)F" . "YUUGYIUSCYNSQR-LBPRGKRZSA-N" . "InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1" . "N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2" . "N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2" . "JLOAJISUHPIQOX-UHFFFAOYSA-N" . "InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2" . "NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN" . "NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN" . "PEZPMAYDXJQYRV-UHFFFAOYSA-N" . "InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2" . "COc1ccc(cc1)CC(NCC(c1cc(O)cc2c1OCC(=O)N2)O)(C)C" . "COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C" . "COUYJEVMBVSIHV-SFHVURJKSA-N" . "InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1" . "Oc1ccc2c(c1)CCC(C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1" . "Oc1ccc2c(c1)CC[C@@H]([C@@H]2c1ccc(cc1)OCCN1CCCC1)c1ccccc1" . "GXESHMAMLJKROZ-IAPPQJPRSA-N" . "InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1" . "ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C" . "ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C" . "PAWIYAYFNXQGAP-UHFFFAOYSA-N" . "InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)" . "COCCOCCOCCOCCOCCOCCOCCOC1CCC2(C34C1Oc1c4c(CC2N(CC3)CC=C)ccc1O)O" . "COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC=C)ccc1O)O" . "XNKCCCKFOQNXKV-ZRSCBOBOSA-N" . "InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1" . "O=C(c1cccnc1Sc1ccccc1)NCC1(CCOCC1)N1CCN(CC1)c1ccccc1" . "O=C(c1cccnc1Sc1ccccc1)NCC1(CCOCC1)N1CCN(CC1)c1ccccc1" . "XREFXUCWSYMIOG-UHFFFAOYSA-N" . "InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)" . "CNCCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2" . "CNCCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2" . "OVVBIIBBRZVPAL-UHFFFAOYSA-N" . "InChI=1S/C17H16ClNOS/c1-19-8-9-20-15-10-12-4-2-3-5-16(12)21-17-7-6-13(18)11-14(15)17/h2-7,10-11,19H,8-9H2,1H3" . "CCCCCCCC(=O)NC(C(c1ccc2c(c1)OCCO2)O)CN1CCCC1" . "CCCCCCCC(=O)N[C@@H]([C@@H](c1ccc2c(c1)OCCO2)O)CN1CCCC1" . "FJZZPCZKBUKGGU-AUSIDOKSSA-N" . "InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1" . "O=C(NC(Cc1ccccc1)CCC(Cc1ccccc1)NC(=O)C(NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1)OCc1cncs1" . "O=C(N[C@@H](Cc1ccccc1)CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1)OCc1cncs1" . "ZCIGNRJZKPOIKD-CQXVEOKZSA-N" . "InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1" . "OC(=O)C(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C2)C(=O)c1ccc2c(c1)occ2)Cc1cccc(c1)S(=O)(=O)C" . "OC(=O)[C@@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C2)C(=O)c1ccc2c(c1)occ2)Cc1cccc(c1)S(=O)(=O)C" . "JFOZKMSJYSPYLN-QHCPKHFHSA-N" . "InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1" . "Cc1ccc(=O)n(c1)c1ccccc1" . "Cc1ccc(=O)n(c1)c1ccccc1" . "ISWRGOKTTBVCFA-UHFFFAOYSA-N" . "InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3" . "COc1ccc2c(c1)c(CCNC(=O)CC(=O)CCc1ccc(cc1)O)c[nH]2" . "COc1ccc2c(c1)c(CCNC(=O)CC(=O)CCc1ccc(cc1)O)c[nH]2" . "BPMOENJVOOOATO-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O4/c1-28-19-8-9-21-20(13-19)16(14-24-21)10-11-23-22(27)12-18(26)7-4-15-2-5-17(25)6-3-15/h2-3,5-6,8-9,13-14,24-25H,4,7,10-12H2,1H3,(H,23,27)" . "Oc1ccccc1NCc1ccccn1" . "Oc1ccccc1NCc1ccccn1" . "GXJRVWZNMZGWAQ-UHFFFAOYSA-N" . "InChI=1S/C12H12N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,14-15H,9H2" . "COc1ccc(cc1Cl)CCc1nc2c(n1CC(N1CCOCC1)C)ccc(c2)c1c(C)noc1C" . "COc1ccc(cc1Cl)CCc1nc2c(n1C[C@@H](N1CCOCC1)C)ccc(c2)c1c(C)noc1C" . "GEPYBHCJBORHCE-SFHVURJKSA-N" . "InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1" . "Cc1onc(c1c1ccc2c(c1)C(O)(CC2)c1ccccc1)C" . "Cc1onc(c1c1ccc2c(c1)C(O)(CC2)c1ccccc1)C" . "SEOJJNHYXOQNOZ-UHFFFAOYSA-N" . "InChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3" . "NC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)sc(c2C)C" . "NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)sc(c2C)C" . "DRSQZZRFHBWKKZ-AWEZNQCLSA-N" . "InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1" . "COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)O" . "COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)O" . "PRGILOMAMBLWNG-HNNXBMFYSA-N" . "InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1" . "CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)c1[nH]c(c(c1CC)C(=O)C)C)O)CC" . "CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)c1[nH]c(c(c1CC)C(=O)C)C)O)CC" . "DPBKLIVPNYGQQG-UHFFFAOYSA-N" . "InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26)" . "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)N2)C" . "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)N2)C" . "TXZPMHLMPKIUGK-UHFFFAOYSA-N" . "InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)" . "COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(Cc2ccccc2)C(=O)N1" . "COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(Cc2ccccc2)C(=O)N1" . "ZULXIHDLPPWDPC-UHFFFAOYSA-N" . "InChI=1S/C23H20N4O3/c1-12-19(13(2)30-27-12)16-10-17-21(26-23(16)29-3)20-15(9-14-7-5-4-6-8-14)22(28)25-18(20)11-24-17/h4-8,10-11,15H,9H2,1-3H3,(H,25,28)" . "COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(C(=O)N1)c1ccccc1OC(F)(F)F" . "COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(C(=O)N1)c1ccccc1OC(F)(F)F" . "WWSIFGSLYORAET-UHFFFAOYSA-N" . "InChI=1S/C23H17F3N4O4/c1-10-17(11(2)34-30-10)13-8-14-20(29-22(13)32-3)19-15(9-27-14)28-21(31)18(19)12-6-4-5-7-16(12)33-23(24,25)26/h4-9,18H,1-3H3,(H,28,31)" . "NC(=N)SCc1ccc(s1)CSC(=N)N" . "NC(=N)SCc1ccc(s1)CSC(=N)N" . "XGDUNTSTRCLVLN-UHFFFAOYSA-N" . "InChI=1S/C8H12N4S3/c9-7(10)13-3-5-1-2-6(15-5)4-14-8(11)12/h1-2H,3-4H2,(H3,9,10)(H3,11,12)" . "O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1" . "O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1" . "FDLYAMZZIXQODN-UHFFFAOYSA-N" . "InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)" . "COc1cc2c(cc1c1c(C)noc1C)ncc1c2n(c(=O)[nH]1)C(c1ccccn1)C" . "COc1cc2c(cc1c1c(C)noc1C)ncc1c2n(c(=O)[nH]1)[C@@H](c1ccccn1)C" . "VUVUVNZRUGEAHB-CYBMUJFWSA-N" . "InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1" . "CC(=O)Oc1cc(cc(c1)c1c(C)noc1C)C(c1ccccc1)O" . "CC(=O)Oc1cc(cc(c1)c1c(C)noc1C)C(c1ccccc1)O" . "BLNKHZBHJDYSGF-UHFFFAOYSA-N" . "InChI=1S/C20H19NO4/c1-12-19(13(2)25-21-12)16-9-17(11-18(10-16)24-14(3)22)20(23)15-7-5-4-6-8-15/h4-11,20,23H,1-3H3" . "CCOc1cc(cc(c1)c1c(C)noc1C)C(O)C" . "CCOc1cc(cc(c1)c1c(C)noc1C)C(O)C" . "AONNGYBECNOVTK-UHFFFAOYSA-N" . "InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3" . "Clc1ccc2c(c1)c(nn(c1n2c(C)nn1)C)c1ccccc1" . "Clc1ccc2c(c1)c(nn(c1n2c(C)nn1)C)c1ccccc1" . "UYIVCPRWMLOCSB-UHFFFAOYSA-N" . "InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3" . "O=C(NC1N=C(c2ccccc2)c2c(n3c1nnc3C)cccc2)OCc1ccccc1" . "O=C(NC1N=C(c2ccccc2)c2c(n3c1nnc3C)cccc2)OCc1ccccc1" . "TUWDLUFFAHHNEF-UHFFFAOYSA-N" . "InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)" . "OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C" . "OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C" . "BQIPXWYNLPYNHW-UHFFFAOYSA-N" . "InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3" . "NC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "QECMENZMDBOLDR-AWEZNQCLSA-N" . "InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)/t14-/m0/s1" . "COC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "COC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "GGRCIHACOIMRKY-HNNXBMFYSA-N" . "InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1" . "O=C(OC(C)(C)C)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "O=C(OC(C)(C)C)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "DNVXATUJJDPFDM-KRWDZBQOSA-N" . "InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1" . "Cn1c(=S)n(c2c1cccc2)CCSc1nc2c([nH]1)cccc2" . "Cn1c(=S)n(c2c1cccc2)CCSc1nc2c([nH]1)cccc2" . "KDPSGIFCBZTBEZ-UHFFFAOYSA-N" . "InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)" . "Nc1cc(O)c(cc1N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)C" . "Nc1cc(O)c(cc1/N=N/c1ccc(cc1)S(=O)(=O)Nc1ccccn1)C" . "DZTGIRNXWSZBIM-QURGRASLSA-N" . "InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)/b22-21+" . "O=C1CCCc2c1n(C(=O)C)c1c2cccc1" . "O=C1CCCc2c1n(C(=O)C)c1c2cccc1" . "MIGJEXKBUJPKJF-UHFFFAOYSA-N" . "InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3" . "[NH3+]CCCNc1ccccc1[N+](=O)[O-]" . "[NH3+]CCCNc1ccccc1[N+](=O)[O-]" . "GVGDDEYVTBKACE-UHFFFAOYSA-O" . "InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2/p+1" . "NC1=CC(=O)C(=CC1=NNc1cc(c(cc1C)C)S(=O)(=O)O)C" . "NC1=CC(=O)C(=C/C/1=N/Nc1cc(c(cc1C)C)S(=O)(=O)O)C" . "WGEVKJVUKOELFY-QGOAFFKASA-N" . "InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,17H,16H2,1-3H3,(H,20,21,22)/b18-13+" . "ONC(=O)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "ONC(=O)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "JTDYUFSDZATMKU-UHFFFAOYSA-N" . "InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)" . "CCCCN(C(=O)Nc1ccccc1)Cc1ccc(cc1)C(=O)NO" . "CCCCN(C(=O)Nc1ccccc1)Cc1ccc(cc1)C(=O)NO" . "JZWXMCPARMXZQV-UHFFFAOYSA-N" . "InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)" . "ONC(=O)C=Cc1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C" . "ONC(=O)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C" . "FECGNJPYVFEKOD-VMPITWQZSA-N" . "InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+" . "O=C(Nc1ccccc1N)CCCCCNC(=O)c1ccc(cc1)C" . "O=C(Nc1ccccc1N)CCCCCNC(=O)c1ccc(cc1)C" . "VOPDXHFYDJAYNS-UHFFFAOYSA-N" . "InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)" . "O=C(Nc1ccc(cc1N)F)C=Cc1cnn(c1)CC=Cc1ccccc1" . "O=C(Nc1ccc(cc1N)F)/C=C/c1cnn(c1)C/C=C/c1ccccc1" . "BLVQHYHDYFTPDV-VCABWLAWSA-N" . "InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+" . "CCCCOc1ccc(cc1)CC(=O)NO" . "CCCCOc1ccc(cc1)CC(=O)NO" . "MXJWRABVEGLYDG-UHFFFAOYSA-N" . "InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)" . "OCCN(Cc1ccc(cc1)C=CC(=O)NO)CCc1c[nH]c2c1cccc2" . "OCCN(Cc1ccc(cc1)/C=C/C(=O)NO)CCc1c[nH]c2c1cccc2" . "BWDQBBCUWLSASG-MDZDMXLPSA-N" . "InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+" . "ONC(=O)C=Cc1cccc(c1)S(=O)(=O)Nc1ccccc1" . "ONC(=O)/C=C/c1cccc(c1)S(=O)(=O)Nc1ccccc1" . "NCNRHFGMJRPRSK-MDZDMXLPSA-N" . "InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+" . "CCC(=O)CCCCCC1NC(=O)C2CCCCN2C(=O)C(NC(=O)C(NC1=O)Cc1cn(c2c1cccc2)OC)C(CC)C" . "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1cn(c2c1cccc2)OC)[C@H](CC)C" . "JWOGUUIOCYMBPV-GMFLJSBRSA-N" . "InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1" . "OC(=O)C1(CC1)c1ccc(c(c1)F)c1ccc(c(c1)Cl)Cl" . "OC(=O)C1(CC1)c1ccc(c(c1)F)c1ccc(c(c1)Cl)Cl" . "LIYLTQQDABRNRX-UHFFFAOYSA-N" . "InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)" . "CC1SC2CC(CCC2N(C1)C(=O)C)S(=O)(=O)NCc1ccccc1" . "CC1SC2CC(CCC2N(C1)C(=O)C)S(=O)(=O)NCc1ccccc1" . "XWNJYOGTDUJRND-UHFFFAOYSA-N" . "InChI=1S/C18H26N2O3S2/c1-13-12-20(14(2)21)17-9-8-16(10-18(17)24-13)25(22,23)19-11-15-6-4-3-5-7-15/h3-7,13,16-19H,8-12H2,1-2H3" . "O=C(c1cccc2c1nc([nH]2)c1ccccc1OCCN1CCOCC1)Nc1nccs1" . "O=C(c1cccc2c1nc([nH]2)c1ccccc1OCCN1CCOCC1)Nc1nccs1" . "BXSJTHFUADFIKS-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O3S/c29-22(27-23-24-8-15-32-23)17-5-3-6-18-20(17)26-21(25-18)16-4-1-2-7-19(16)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14H2,(H,25,26)(H,24,27,29)" . "ONC(=O)C=Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(cc1)OC" . "ONC(=O)/C=C/c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(cc1)OC" . "LMFNVOGHSBJWLX-YCRREMRBSA-N" . "InChI=1S/C18H18N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-9,12,22H,10-11H2,1H3,(H,19,21)/b9-3+" . "N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O" . "N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O" . "GHZHWDWADLAOIQ-UHFFFAOYSA-N" . "InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2" . "O=C(c1cccc(c1)c1noc(n1)C(F)(F)F)NCC1(CCOCC1)c1scc(n1)c1ccccc1" . "O=C(c1cccc(c1)c1noc(n1)C(F)(F)F)NCC1(CCOCC1)c1scc(n1)c1ccccc1" . "HORXBWNTEDOVKN-UHFFFAOYSA-N" . "InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)" . "CCN(Cc1ccc2c(c1)ccc(c2)COC(=O)Nc1ccc(cc1)C(=O)NO)CC" . "CCN(Cc1ccc2c(c1)ccc(c2)COC(=O)Nc1ccc(cc1)C(=O)NO)CC" . "YALNUENQHAQXEA-UHFFFAOYSA-N" . "InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)" . "ONC(=O)C=Cc1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2" . "ONC(=O)/C=C/c1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2" . "FPOHNWQLNRZRFC-ZHACJKMWSA-N" . "InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+" . "CCCCCCCc1ccc(cc1)CCc1cccc(c1C(=O)O)O" . "CCCCCCCc1ccc(cc1)CCc1cccc(c1C(=O)O)O" . "WBHQYBZRTAEHRR-UHFFFAOYSA-N" . "InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)" . "O=C1N(CC2c3c1cccc3CCC2)C1CN2CCC1CC2" . "O=C1N(C[C@@H]2c3c1cccc3CCC2)[C@@H]1CN2CCC1CC2" . "CPZBLNMUGSZIPR-NVXWUHKLSA-N" . "InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1" . "OC(=O)CCCCCCCC(=O)O" . "OC(=O)CCCCCCCC(=O)O" . "BDJRBEYXGGNYIS-UHFFFAOYSA-N" . "InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)" . "O=C(N1CCc2c(C1c1ccccc1)cccc2)OC1CN2CCC1CC2" . "O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2" . "FBOUYBDGKBSUES-VXKWHMMOSA-N" . "InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1" . "O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C" . "O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C" . "UFSKUSARDNFIRC-UHFFFAOYSA-N" . "InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC2CCC(C1)[N+]12CCCC1" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC2CCC(C1)[N+]12CCCC1" . "OYYDSUSKLWTMMQ-UHFFFAOYSA-N" . "InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1" . "O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O" . "O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O" . "BPZSYCZIITTYBL-YJYMSZOUSA-N" . "InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1" . "ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl" . "ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl" . "YTKUWDBFDASYHO-UHFFFAOYSA-N" . "InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)" . "CCC(c1cccc(c1)O)C(CN(C)C)C" . "CC[C@@H](c1cccc(c1)O)[C@H](CN(C)C)C" . "KWTWDQCKEHXFFR-SMDDNHRTSA-N" . "InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1" . "N#Cc1n(C)nc2c1c1cnc(c(c1)OC(C)c1c(C(=O)N(C2)C)ccc(c1)F)N" . "N#Cc1n(C)nc2c1c1cnc(c(c1)O[C@H](C)c1c(C(=O)N(C2)C)ccc(c1)F)N" . "IIXWYSCJSQVBQM-LLVKDONJSA-N" . "InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1" . "CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C" . "CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C" . "QVNNONOFASOXQV-UHFFFAOYSA-N" . "InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)" . "CCCC(=O)OC1(CCC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)COC(=O)C" . "CCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F)C(=O)COC(=O)C" . "WYQPLTPSGFELIB-JTQPXKBDSA-N" . "InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1" . "OCc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)C(C)C)OC(=O)C(C)C" . "OCc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)OC(=O)C(C)C" . "DCCSDBARQIPTGU-HSZRJFAPSA-N" . "InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1" . "COCC(C(=O)NCc1ccccc1)NC(=O)C" . "COC[C@H](C(=O)NCc1ccccc1)NC(=O)C" . "VPPJLAIAVCUEMN-GFCCVEGCSA-N" . "InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1" . "OC(=O)CNC(=O)C(Cc1ccccc1)CN1CCC(C(C1)C)(C)c1cccc(c1)O" . "OC(=O)CNC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O" . "UPNUIXSCZBYVBB-JVFUWBCBSA-N" . "InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1" . "Fc1cccc(c1Cn1nnc(c1)C(=O)N)F" . "Fc1cccc(c1Cn1nnc(c1)C(=O)N)F" . "POGQSBRIGCQNEG-UHFFFAOYSA-N" . "InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)" . "O=C(C(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C1CCCCC1" . "O=C(C(C)C)OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C1CCCCC1" . "LUKZNWIVRBCLON-GXOBDPJESA-N" . "InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1" . "CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C" . "CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C" . "KPBZROQVTHLCDU-UHFFFAOYSA-N" . "InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3" . "OC(=O)CCCN1CCC(CC1)OC(c1ccccn1)c1ccc(cc1)Cl" . "OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl" . "YWGDOWXRIALTES-NRFANRHFSA-N" . "InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1" . "CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C" . "CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C" . "ZQTNQVWKHCQYLQ-UHFFFAOYSA-N" . "InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3" . "O=C1N(CC2CCCCC2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1C1CCC2C1" . "O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1" . "PQXKDMSYBGKCJA-CVTJIBDQSA-N" . "InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1" . "CC(=O)OC1(CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21)C(=O)C" . 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"O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O" . "PBAPPPCECJKMCM-IBGZPJMESA-N" . "InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1" . "Nc1nccn2c1c(nc2C1CC(C1)(C)O)c1ccc2c(c1)nc(cc2)c1ccccc1" . "Nc1nccn2c1c(nc2[C@@H]1C[C@](C1)(C)O)c1ccc2c(c1)nc(cc2)c1ccccc1" . "PKCDDUHJAFVJJB-VLZXCDOPSA-N" . "InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+" . "CC=C(C(=O)OC1C(=CC23C1(O)C(O)C(=CC(C3=O)C1C(CC2C)C1(C)C)CO)C)C" . "C/C=C(/C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)C)/C" . "VDJHFHXMUKFKET-WDUFCVPESA-N" . "InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1" . "COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC" . "CO[C@@H]1CC[C@@H](CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC" . "VEURHZYLLRSEGL-RHNCMZPLSA-N" . "InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+" . "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC" . "CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC" . "SSQPWTVBQMWLSZ-AAQCHOMXSA-N" . "InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-" . "NCCS" . "NCCS" . "UFULAYFCSOUIOV-UHFFFAOYSA-N" . "InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2" . "O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2" . "O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2" . "MBBCVAKAJPKAKM-UHFFFAOYSA-N" . 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"VOVIALXJUBGFJZ-KWVAZRHASA-N" . "InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1" . "CCC(C(=O)N1CC(CC1Cc1c([nH]c2c1ccc(c2)F)c1[nH]c2c(c1CC1CC(CN1C(=O)C(NC(=O)C(NC)C)CC)O)ccc(c2)F)O)NC(=O)C(NC)C" . "CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc1c([nH]c2c1ccc(c2)F)c1[nH]c2c(c1C[C@@H]1C[C@@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC)C)CC)O)ccc(c2)F)O)NC(=O)[C@@H](NC)C" . "PKWRMUKBEYJEIX-DXXQBUJASA-N" . "InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1" . "CN1CCN(CC1)C(=O)OC1c2nccnc2C(=O)N1c1ccc(cn1)Cl" . "CN1CCN(CC1)C(=O)OC1c2nccnc2C(=O)N1c1ccc(cn1)Cl" . "GBBSUAFBMRNDJC-UHFFFAOYSA-N" . "InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3" . "CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O" . "CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O" . "PBBGSZCBWVPOOL-UHFFFAOYSA-N" . "InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3" . "O=C(c1ccc(cc1)Cl)NCCN1CCOCC1" . "O=C(c1ccc(cc1)Cl)NCCN1CCOCC1" . "YHXISWVBGDMDLQ-UHFFFAOYSA-N" . "InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)" . "N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2" . "N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2" . "SGEGOXDYSFKCPT-UHFFFAOYSA-N" . "InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)" . "COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1" . "COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1" . "WOSKHXYHFSIKNG-UHFFFAOYSA-N" . "InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)" . "CCCCCCCCCCCCCCCCCCOP(=O)(OC1CC[N+](CC1)(C)C)[O-]" . "CCCCCCCCCCCCCCCCCCOP(=O)(OC1CC[N+](CC1)(C)C)[O-]" . "SZFPYBIJACMNJV-UHFFFAOYSA-N" . "InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3" . "COc1ccc2c(c1C(F)(F)F)cccc2C(=S)N(CC(=O)O)C" . "COc1ccc2c(c1C(F)(F)F)cccc2C(=S)N(CC(=O)O)C" . "LUBHDINQXIHVLS-UHFFFAOYSA-N" . "InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)" . "COc1cc2ncnc(c2cc1NC(=O)C=CCN1CCCCC1)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1NC(=O)/C=C/CN1CCCCC1)Nc1ccc(c(c1)Cl)F" . "LVXJQMNHJWSHET-AATRIKPKSA-N" . "InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)C1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)C(NC(=O)CN1CCOCC1)CCc1ccccc1)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)C" . "BLMPQMFVWMYDKT-NZTKNTHTSA-N" . "InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1" . "OC(=O)Cc1nn(Cc2nc3c(s2)ccc(c3)C(F)(F)F)c(=O)c2c1cccc2" . "OC(=O)Cc1nn(Cc2nc3c(s2)ccc(c3)C(F)(F)F)c(=O)c2c1cccc2" . "BCSVCWVQNOXFGL-UHFFFAOYSA-N" . "InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)" . "Brc1ccc(c(c1)F)Cn1c(=O)c2ccc(cc2n(c1=O)CC(=O)O)Cl" . "Brc1ccc(c(c1)F)Cn1c(=O)c2ccc(cc2n(c1=O)CC(=O)O)Cl" . "SXONDGSPUVNZLO-UHFFFAOYSA-N" . "InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)" . "NC(=O)c1cccc2c1nc([nH]2)C1(C)CCCN1" . "NC(=O)c1cccc2c1nc([nH]2)[C@@]1(C)CCCN1" . "JNAHVYVRKWKWKQ-CYBMUJFWSA-N" . "InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1" . "N#Cc1ccc(n1C)c1ccc2c(c1)C(C)(C)OC(=S)N2" . "N#Cc1ccc(n1C)c1ccc2c(c1)C(C)(C)OC(=S)N2" . "PYVFWTPEBMRKSR-UHFFFAOYSA-N" . "InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)" . "Fc1cc2C3(CCOc2cc1)NC(=O)NC3=O" . "Fc1cc2[C@]3(CCOc2cc1)NC(=O)NC3=O" . "LXANPKRCLVQAOG-NSHDSACASA-N" . "InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1" . "COc1ccc(cc1Cc1cnc2c(c1C)c(N)nc(n2)N)OC" . "COc1ccc(cc1Cc1cnc2c(c1C)c(N)nc(n2)N)OC" . "VJXSSYDSOJBUAV-UHFFFAOYSA-N" . "InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)" . "O=C(N1CCC(C1)(F)F)C1NCC(C1)N1CCN(CC1)c1ncccn1" . "O=C(N1CCC(C1)(F)F)[C@H]1NC[C@H](C1)N1CCN(CC1)c1ncccn1" . "QWEWGXUTRTXFRF-KBPBESRZSA-N" . "InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1" . "Nc1nc(C)c(c(n1)N)c1ccc(c(c1)Cl)Cl" . "Nc1nc(C)c(c(n1)N)c1ccc(c(c1)Cl)Cl" . "VQJHOPSWBGJHQS-UHFFFAOYSA-N" . "InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)" . "OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F" . "OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F" . "KYHVTMFADJNSGS-UHFFFAOYSA-N" . "InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)" . "ONC(=O)CC(C(=O)NC(C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C" . "ONC(=O)C[C@H](C(=O)N[C@H](C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C" . "NITYDPDXAAFEIT-DYVFJYSZSA-N" . "InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1" . "COC1CC(N(C1)C(=O)Nc1ccc(cc1)Cl)C(=O)Nc1ccc(cc1F)n1ccccc1=O" . "CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(cc1)Cl)C(=O)Nc1ccc(cc1F)n1ccccc1=O" . "QQBKAVAGLMGMHI-WIYYLYMNSA-N" . "InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1" . "N#CC1(CCC(CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC" . "N#C[C@@]1(CC[C@@H](CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC" . "CFBUZOUXXHZCFB-OYOVHJISSA-N" . "InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-" . "Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccccc1F)C" . "Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccccc1F)C" . "PHEZJEYUWHETKO-UHFFFAOYSA-N" . "InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)" . "COC(C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1" . "CO[C@H](C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1" . "DAYKLWSKQJBGCS-NRFANRHFSA-N" . "InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1" . "COc1cc(OC)cc(c1)c1ncc2c(c1)nc(cc2)C" . "COc1cc(OC)cc(c1)c1ncc2c(c1)nc(cc2)C" . "AWGMVVADCJSVIO-UHFFFAOYSA-N" . "InChI=1S/C17H16N2O2/c1-11-4-5-12-10-18-16(9-17(12)19-11)13-6-14(20-2)8-15(7-13)21-3/h4-10H,1-3H3" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(s1)N(Cc1ccc2c(c1)c(=O)nc([nH]2)C)C" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(s1)N(Cc1ccc2c(c1)c(=O)nc([nH]2)C)C" . "IVTVGDXNLFLDRM-HNNXBMFYSA-N" . "InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1" . "CCOc1ccc(cc1)NC(=O)C" . "CCOc1ccc(cc1)NC(=O)C" . "CPJSUEIXXCENMM-UHFFFAOYSA-N" . "InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)" . "[O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C" . "[O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C" . "HYWYRSMBCFDLJT-UHFFFAOYSA-N" . "InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3" . "O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I" . "O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I" . "FFINMCNLQNTKLU-UHFFFAOYSA-N" . "InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)" . "CC(C(=O)c1c(nn2c1cccc2)C(C)C)C" . "CC(C(=O)c1c(nn2c1cccc2)C(C)C)C" . "ZJVFLBOZORBYFE-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3" . "CCNC(C(=O)c1ccccc1)C" . "CCNC(C(=O)c1ccccc1)C" . "LYMHIBZGTAPASQ-UHFFFAOYSA-N" . "InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3" . "CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C" . "CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C" . "VERWOWGGCGHDQE-UHFFFAOYSA-N" . "InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)" . "CCC(=O)NCC1CC1c1cccc2c1CCO2" . "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2" . "PTOIAAWZLUQTIO-GXFFZTMASA-N" . "InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1" . "O=C(C(NP(=O)(Oc1ccccc1)OCC1OC(C(C1O)(F)F)n1ccc(nc1=O)N)C)OCc1ccccc1" . "O=C([C@@H](NP(=O)(Oc1ccccc1)OC[C@H]1O[C@H](C([C@H]1O)(F)F)n1ccc(nc1=O)N)C)OCc1ccccc1" . "NHTKGYOMICWFQZ-BSMFTPRPSA-N" . "InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21-,23+,40?/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(Cc1[nH]cnc1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CO)C)CO)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1[nH]cnc1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C" . "XVVOERDUTLJJHN-IAEQDCLQSA-N" . "InChI=1S/C215H347N61O65S/c1-16-115(10)173(210(337)256-141(68-74-170(299)300)194(321)261-148(94-122-98-232-126-50-24-23-49-124(122)126)199(326)258-143(89-111(2)3)196(323)247-134(58-32-40-83-223)189(316)262-149(96-160(226)285)180(307)235-100-161(286)233-104-165(290)274-85-42-60-156(274)207(334)267-154(108-280)206(333)265-151(105-277)181(308)237-101-162(287)239-117(12)213(340)276-87-44-62-158(276)214(341)275-86-43-61-157(275)208(335)268-153(107-279)204(331)249-132(56-30-38-81-221)187(314)246-131(55-29-37-80-220)186(313)245-130(54-28-36-79-219)185(312)244-129(53-27-35-78-218)184(311)243-128(52-26-34-77-217)183(310)242-127(176(227)303)51-25-33-76-216)272-201(328)146(92-120-45-19-17-20-46-120)260-197(324)144(90-112(4)5)257-190(317)135(59-41-84-231-215(228)229)255-209(336)172(114(8)9)271-177(304)116(11)240-182(309)138(65-71-167(293)294)251-192(319)139(66-72-168(295)296)252-193(320)140(67-73-169(297)298)253-195(322)142(75-88-342-15)254-191(318)137(63-69-159(225)284)250-188(315)133(57-31-39-82-222)248-203(330)152(106-278)266-198(325)145(91-113(6)7)259-200(327)150(97-171(301)302)263-205(332)155(109-281)269-212(339)175(119(14)283)273-202(329)147(93-121-47-21-18-22-48-121)264-211(338)174(118(13)282)270-164(289)103-236-179(306)136(64-70-166(291)292)241-163(288)102-234-178(305)125(224)95-123-99-230-110-238-123/h17-24,45-50,98-99,110-119,125,127-158,172-175,232,277-283H,16,25-44,51-97,100-109,216-224H2,1-15H3,(H2,225,284)(H2,226,285)(H2,227,303)(H,230,238)(H,233,286)(H,234,305)(H,235,307)(H,236,306)(H,237,308)(H,239,287)(H,240,309)(H,241,288)(H,242,310)(H,243,311)(H,244,312)(H,245,313)(H,246,314)(H,247,323)(H,248,330)(H,249,331)(H,250,315)(H,251,319)(H,252,320)(H,253,322)(H,254,318)(H,255,336)(H,256,337)(H,257,317)(H,258,326)(H,259,327)(H,260,324)(H,261,321)(H,262,316)(H,263,332)(H,264,338)(H,265,333)(H,266,325)(H,267,334)(H,268,335)(H,269,339)(H,270,289)(H,271,304)(H,272,328)(H,273,329)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,228,229,231)/t115-,116-,117-,118+,119+,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,172-,173-,174-,175-/m0/s1" . "CN(C(=O)c1cc2c(n1C1CCCC1)nc(nc2)Nc1ccc(cn1)N1CCNCC1)C" . "CN(C(=O)c1cc2c(n1C1CCCC1)nc(nc2)Nc1ccc(cn1)N1CCNCC1)C" . "RHXHGRAEPCAFML-UHFFFAOYSA-N" . "InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)" . "CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F" . "CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F" . "UZWDCWONPYILKI-UHFFFAOYSA-N" . "InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)" . "O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C" . "O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C" . "RCOBWVAGWYRNHZ-UHFFFAOYSA-N" . "InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)" . "CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1" . "CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1" . "AHJRHEGDXFFMBM-UHFFFAOYSA-N" . "InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)" . "OCCC1CCCCN1c1cc(NCc2ccc[n+](c2)[O-])n2c(n1)c(CC)cn2" . "OCC[C@@H]1CCCCN1c1cc(NCc2ccc[n+](c2)[O-])n2c(n1)c(CC)cn2" . "PIMQWRZWLQKKBJ-SFHVURJKSA-N" . "InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1" . "OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1" . "OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1" . "OFPXSFXSNFPTHF-UHFFFAOYSA-N" . "InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)" . "O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)CC1OC(C(C1O)O)n1ccc2c1ncnc2N" . "O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N" . "WXRGFPHDRFQODR-ICLZECGLSA-N" . "InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1" . "COCCN1CCC(CC1)N(C(=O)Cn1c(SCc2cccc(c2F)F)cc(=O)c2c1cccc2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F" . "COCCN1CCC(CC1)N(C(=O)Cn1c(SCc2cccc(c2F)F)cc(=O)c2c1cccc2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F" . "NNBGCSGCRSCFEA-UHFFFAOYSA-N" . "InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3" . "O=C(c1ccccc1)Nc1nc2c(n1CCCc1ccccc1)ccc(c2)C(=O)O" . "O=C(c1ccccc1)Nc1nc2c(n1CCCc1ccccc1)ccc(c2)C(=O)O" . "WPXMEOBILYVKBC-UHFFFAOYSA-N" . "InChI=1S/C24H21N3O3/c28-22(18-11-5-2-6-12-18)26-24-25-20-16-19(23(29)30)13-14-21(20)27(24)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)(H,25,26,28)" . "ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1OC(CSc2nc(c(o2)c2ccccc2)c2ccccc2)CC(O1)c1ccc(cc1)CO" . "ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2nc(c(o2)c2ccccc2)c2ccccc2)C[C@H](O1)c1ccc(cc1)CO" . "BHUZLJOUHMBZQY-YXQOSMAKSA-N" . "InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1" . "CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C" . "CCOc1cc(ccc1OC)[C@H](N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C" . "IMOZEMNVLZVGJZ-QGZVFWFLSA-N" . "InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1" . "Cc1ccc(cc1)c1ccc(cn1)OC1CN2CCC1CC2" . "Cc1ccc(cc1)c1ccc(cn1)O[C@H]1CN2CCC1CC2" . "NPDLTEZXGWRMLQ-IBGZPJMESA-N" . "InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1" . "Fc1ccc(c(c1)C(F)(F)F)N1CCN(C(C1)C)S(=O)(=O)c1ccc(cc1Cl)C(=O)N" . "Fc1ccc(c(c1)C(F)(F)F)N1CCN([C@@H](C1)C)S(=O)(=O)c1ccc(cc1Cl)C(=O)N" . "OMWNFYWEMXUREB-LLVKDONJSA-N" . "InChI=1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1" . "C#CCN(Cc1cc2c(n1C)ccc(c2)OCCCC1CCN(CC1)Cc1ccccc1)C" . "C#CCN(Cc1cc2c(n1C)ccc(c2)OCCCC1CCN(CC1)Cc1ccccc1)C" . "ADCBAOTWERXLAP-UHFFFAOYSA-N" . "InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3" . "ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl" . "ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl" . "LMJSLTNSBFUCMU-UHFFFAOYSA-N" . "InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)" . "CC(OC(=O)C(NP(=O)(Oc1ccccc1)OCC1OC(C(C1O)(C)F)n1ccc(=O)[nH]c1=O)C)C" . "CC(OC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)F)n1ccc(=O)[nH]c1=O)C)C" . "TTZHDVOVKQGIBA-IQWMDFIBSA-N" . "InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1" . "COc1ccc2c(c1C)nc(cc2OC1CC2C(C1)C(=O)N(C)CCCCC=CC1C(NC2=O)(C1)C(=O)NS(=O)(=O)C1CC1)c1scc(n1)C(C)C" . "COc1ccc2c(c1C)nc(cc2O[C@@H]1C[C@@H]2[C@@H](C1)C(=O)N(C)CCCC/C=C/[C@H]1[C@](NC2=O)(C1)C(=O)NS(=O)(=O)C1CC1)c1scc(n1)C(C)C" . "JTZZSQYMACOLNN-VDWJNHBNSA-N" . "InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1" . "N#CC(=C1SCC(S1)c1ccc(cc1Cl)Cl)n1cncc1" . "N#C/C(=C/1/SC[C@H](S1)c1ccc(cc1Cl)Cl)/n1cncc1" . "YTAOBBFIOAEMLL-REQDGWNSSA-N" . "InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1" . "Fc1ccc(c(c1)F)CNC(=O)c1cn2CC3OCCC(N3C(=O)c2c(c1=O)O)C" . "Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@@H]3OCC[C@H](N3C(=O)c2c(c1=O)O)C" . "RHWKPHLQXYSBKR-BMIGLBTASA-N" . "InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1" . "CN(CCOC(c1ccccc1C)c1ccccc1)C" . "CN(CCOC(c1ccccc1C)c1ccccc1)C" . "QVYRGXJJSLMXQH-UHFFFAOYSA-N" . "InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3" . "COCCOC1C(SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(C(C2SP(=O)(OCC2OC(C(C2SP(=O)(OCC2OC(C(C2SP(=O)(OCC2OC(C(C2SP(=O)(OCC2OC(C(C2O)OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2ncnc3N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cnc3c2ncnc3N)[O-])C(OC1n1cc(C)c(nc1=O)N)COP(=O)(SC1C(COP(=O)(SC2C(COP(=O)(SC3C(COP(=O)(SC4C(CO)OC(C4OCCOC)n4cnc5c4nc(N)[nH]c5=O)[O-])OC(C3OCCOC)n3cc(C)c(nc3=O)N)[O-])OC(C2OCCOC)n2cc(C)c(nc2=O)N)[O-])OC(C1OCCOC)n1cc(C)c(=O)[nH]c1=O)[O-]" . "COCCO[C@@H]1[C@H](SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2O)OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2ncnc3N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cnc3c2ncnc3N)[O-])[C@H](O[C@H]1n1cc(C)c(nc1=O)N)COP(=O)(S[C@@H]1[C@@H](COP(=O)(S[C@@H]2[C@@H](COP(=O)(S[C@@H]3[C@@H](COP(=O)(S[C@@H]4[C@@H](CO)O[C@H]([C@@H]4OCCOC)n4cnc5c4nc(N)[nH]c5=O)[O-])O[C@H]([C@@H]3OCCOC)n3cc(C)c(nc3=O)N)[O-])O[C@H]([C@@H]2OCCOC)n2cc(C)c(nc2=O)N)[O-])O[C@H]([C@@H]1OCCOC)n1cc(C)c(=O)[nH]c1=O)[O-]" . "TZRFSLHOCZEXCC-HIVFKXHNSA-A" . "CCC(C(C(=O)NC(C(=O)O)CC(C)C)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O" . "DQDBCHHEIKQPJD-ODKJCKIQSA-N" . "InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1" . "Oc1ccc2c(c1)CNC(C2)C(=O)NC(C(C)C)CN1CCC(C(C1)C)(C)c1cccc(c1)O" . "Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O" . "ZLVXBBHTMQJRSX-VMGNSXQWSA-N" . "InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1" . "O=C(C1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1" . "O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1" . "MAKMQGKJURAJEN-RUZDIDTESA-N" . "InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1" . "O=C1OC(C(=O)N1C)(C)C" . "O=C1OC(C(=O)N1C)(C)C" . "IRYJRGCIQBGHIV-UHFFFAOYSA-N" . "InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3" . "CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1" . "CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1" . "NEMHKCNXXRQYRF-UHFFFAOYSA-N" . "InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)" . "OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccc(cc1)O" . "O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccc(cc1)O" . "SOZOATLLFFVAPM-KAYWLYCHSA-N" . "InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t26-,27-/m1/s1" . "COc1cc(ccc1n1cnc(c1)C)C=C1CCCN(C1=O)C(c1ccc(cc1)F)C" . "COc1cc(ccc1n1cnc(c1)C)/C=C/1/CCCN(C1=O)[C@H](c1ccc(cc1)F)C" . "PUOAETJYKQITMO-LANLRWRYSA-N" . "InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1" . "O=C(C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)(C)C)NC1C2CC3CC1CC(C2)(C3)C(=O)N" . "O=C(C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)(C)C)NC1C2CC3CC1CC(C2)(C3)C(=O)N" . "CLHMYBJIOZXCEX-UHFFFAOYSA-N" . "InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)" . "CN(CCCOc1ccc2c(c1)c([nH]n2)S(=O)(=O)c1cccc2c1cccc2)C" . "CN(CCCOc1ccc2c(c1)c([nH]n2)S(=O)(=O)c1cccc2c1cccc2)C" . "NXQGEDVQXVTCDA-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)" . "Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O" . "Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O" . "UCJGJABZCDBEDK-UHFFFAOYSA-N" . "InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3" . "OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1" . "OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1" . "FVTWTVQXNAJTQP-UHFFFAOYSA-N" . "InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1" . "OCc1cc(ccc1O)C(CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O" . "OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O" . "DAFYYTQWSAWIGS-DEOSSOPVSA-N" . "InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1" . "OC(c1cc(O)cc(c1)O)CNC(C)C" . "OC(c1cc(O)cc(c1)O)CNC(C)C" . "LMOINURANNBYCM-UHFFFAOYSA-N" . "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3" . "CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br" . "CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br" . "JGCMEBMXRHSZKX-UHFFFAOYSA-N" . "InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)" . "Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1" . "Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1" . "YQNWZWMKLDQSAC-UHFFFAOYSA-N" . "InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3" . "OC1Cc2ccccc2N(c2c1cccc2)C(=O)N" . "O[C@H]1Cc2ccccc2N(c2c1cccc2)C(=O)N" . "BMPDWHIDQYTSHX-AWEZNQCLSA-N" . "InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1" . "ClCCC(=C(c1ccccc1)c1ccc(cc1)OCCO)c1ccccc1" . "ClCC/C(=C(/c1ccccc1)/c1ccc(cc1)OCCO)/c1ccccc1" . "LUMKNAVTFCDUIE-VHXPQNKSSA-N" . "InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2" . "UVSMNLNDYGZFPF-UHFFFAOYSA-N" . "InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)" . "Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F" . "Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F" . "DDDZBLNULGDPGA-UHFFFAOYSA-N" . "InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3" . "FCCOCCOCCOc1ccc(cn1)C=Cc1ccc(cc1)NC" . "[18F]CCOCCOCCOc1ccc(cn1)/C=C/c1ccc(cc1)NC" . "YNDIAUKFXKEXSV-CRYLGTRXSA-N" . "InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1" . "CNc1ccc(cc1F)c1nc2c(s1)cc(cc2)O" . "CNc1ccc(cc1[18F])c1nc2c(s1)cc(cc2)O" . "VVECGOCJFKTUAX-HUYCHCPVSA-N" . "InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1" . "O=C1Nc2ccccc2c2c(C1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2" . "O=C1Nc2ccccc2c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2" . "OJPLJFIFUQPSJR-INIZCTEOSA-N" . "InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1" . "Fc1cc2c3[nH]ncc3C(N(c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C1CC1" . "Fc1cc2c3[nH]ncc3[C@H](N(c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C1CC1" . "XODSHWXKSMPDRP-LJQANCHMSA-N" . "InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1" . "CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC" . "CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC" . "OPQRBXUBWHDHPQ-UHFFFAOYSA-N" . "InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)" . "COc1ccsc1CNCCC1(CCOC2(C1)CCCC2)c1ccccn1" . "COc1ccsc1CNCC[C@]1(CCOC2(C1)CCCC2)c1ccccn1" . "DMNOVGJWPASQDL-OAQYLSRUSA-N" . "InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1" . "CCN(CCOP(=O)(O)O)CCCOc1ccc2c(c1)ncnc2Nc1n[nH]c(c1)CC(=O)Nc1cccc(c1)F" . "CCN(CCOP(=O)(O)O)CCCOc1ccc2c(c1)ncnc2Nc1n[nH]c(c1)CC(=O)Nc1cccc(c1)F" . "GBJVVSCPOBPEIT-UHFFFAOYSA-N" . "InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)" . "OC1=NC(=O)C(CC1)N1Cc2c(C1=O)cccc2N" . "OC1=NC(=O)C(CC1)N1Cc2c(C1=O)cccc2N" . "GOTYRUGSSMKFNF-UHFFFAOYSA-N" . "InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)" . "CCC1(CC)C(=NC(=O)N(C1=O)C)O" . "CCC1(CC)C(=NC(=O)N(C1=O)C)O" . "FWJKNZONDWOGMI-UHFFFAOYSA-N" . "InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)" . "OC1=NC(=O)CN(C1)CC(N1CC(=NC(=O)C1)O)C" . "OC1=NC(=O)CN(C1)C[C@@H](N1CC(=NC(=O)C1)O)C" . "BMKDZUISNHGIBY-ZETCQYMHSA-N" . "InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1" . "Cc1cccn2c1ncc(c2=O)c1n[nH]nn1" . "Cc1cccn2c1ncc(c2=O)c1n[nH]nn1" . "HIANJWSAHKJQTH-UHFFFAOYSA-N" . "InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)" . "OCC(CO)(CO)N" . "OCC(CO)(CO)N" . "LENZDBCJOHFCAS-UHFFFAOYSA-N" . "InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2" . "OC1=NC(=O)C(CC1)N1C(=O)c2c(C1=O)cccc2" . "OC1=NC(=O)C(CC1)N1C(=O)c2c(C1=O)cccc2" . "UEJJHQNACJXSKW-UHFFFAOYSA-N" . "InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)" . "NN=c1[nH]ncc2c1cccc2" . "NN=c1[nH]ncc2c1cccc2" . "RPTUSVTUFVMDQK-UHFFFAOYSA-N" . "InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)" . "C#CC1(CCCCC1)OC(=N)O" . "C#CC1(CCCCC1)OC(=N)O" . "GXRZIMHKGDIBEW-UHFFFAOYSA-N" . "InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)" . "CN(CCC(c1ccccc1Cl)(c1ccccc1)O)C" . "CN(CCC(c1ccccc1Cl)(c1ccccc1)O)C" . "WRCHFMBCVFFYEQ-UHFFFAOYSA-N" . "InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3" . "CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl" . "CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl" . "WEQAYVWKMWHEJO-UHFFFAOYSA-N" . "InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3" . "COc1ccc(cc1)C(C1(O)CCCCC1)CN(C)C" . "COc1ccc(cc1)C(C1(O)CCCCC1)CN(C)C" . "PNVNVHUZROJLTJ-UHFFFAOYSA-N" . "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3" . "CCOc1ccc(cc1c1nc(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CCN(CC1)CC" . "CCOc1ccc(cc1c1nc(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CCN(CC1)CC" . "SECKRCOLJRRGGV-UHFFFAOYSA-N" . "InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)" . "CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1" . "CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1" . "BGDKAVGWHJFAGW-UHFFFAOYSA-N" . "InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3" . "CN(CCN(c1ccccn1)Cc1ccccc1)C" . "CN(CCN(c1ccccn1)Cc1ccccc1)C" . "UFLGIAIHIAPJJC-UHFFFAOYSA-N" . "InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3" . "CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C" . "CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C" . "ZSCDBOWYZJWBIY-UHFFFAOYSA-N" . "InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3" . "Cc1cccc(c1)N=c1cc[nH]cc1S(=O)(=O)NC(=NC(C)C)O" . "Cc1cccc(c1)N=c1cc[nH]cc1S(=O)(=O)NC(=NC(C)C)O" . "NGBFQHCMQULJNZ-UHFFFAOYSA-N" . "InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)" . "OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C" . "OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C" . "UPSPUYADGBWSHF-UHFFFAOYSA-N" . "InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)" . "c1ccc(cc1)CC1=NCCN1" . "c1ccc(cc1)CC1=NCCN1" . "JIVZKJJQOZQXQB-UHFFFAOYSA-N" . "InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)" . "CC(C(=Nc1c(C)cccc1C)O)N" . "CC(C(=Nc1c(C)cccc1C)O)N" . "BUJAGSGYPOAWEI-UHFFFAOYSA-N" . "InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)" . "Clc1ccc2c(c1NC1=NCCN1)nsn2" . "Clc1ccc2c(c1NC1=NCCN1)nsn2" . "XFYDIVBRZNQMJC-UHFFFAOYSA-N" . "InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)" . "Clc1ccccc1CN1CCc2c(C1)ccs2" . "Clc1ccccc1CN1CCc2c(C1)ccs2" . "PHWBOXQYWZNQIN-UHFFFAOYSA-N" . "InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2" . "CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1" . "CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1" . "XCTYLCDETUVOIP-UHFFFAOYSA-N" . "InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3" . "CCCC(C1(CC=C)C(=NC(=S)N=C1O)O)C" . "CCCC(C1(CC=C)C(=NC(=S)N=C1O)O)C" . "XLOMZPUITCYLMJ-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)" . "c1scc(n1)c1nc2c([nH]1)cccc2" . "c1scc(n1)c1nc2c([nH]1)cccc2" . "WJCNZQLZVWNLKY-UHFFFAOYSA-N" . "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" . "O=C1C=CC2(C(=C1)CCC1C2CCC2(C1CCC(=O)O2)C)C" . "O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)O2)C)C" . "BPEWUONYVDABNZ-DZBHQSCQSA-N" . "InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1" . "COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1" . "COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1" . "VCKUSRYTPJJLNI-UHFFFAOYSA-N" . "InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)" . "NC(=O)c1ncn2c1nnn(c2=O)C" . "NC(=O)c1ncn2c1nnn(c2=O)C" . "BPEGJWRSRHCHSN-UHFFFAOYSA-N" . "InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)" . "O=C1N(C)CC(=O)N2C1Cc1c(C2c2ccc3c(c2)OCO3)[nH]c2c1cccc2" . "O=C1N(C)CC(=O)N2[C@@H]1Cc1c([C@H]2c2ccc3c(c2)OCO3)[nH]c2c1cccc2" . "WOXKDUGGOYFFRN-IIBYNOLFSA-N" . "InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1" . "OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C" . "OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C" . "MDKGKXOCJGEUJW-UHFFFAOYSA-N" . "InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)" . "CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C" . "CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C" . "ZBMZVLHSJCTVON-UHFFFAOYSA-N" . "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3" . "FCOC(C(F)(F)F)C(F)(F)F" . "FCOC(C(F)(F)F)C(F)(F)F" . "DFEYYRMXOJXZRJ-UHFFFAOYSA-N" . "InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2" . "CCCN(CCC)CCc1cccc2c1CC(=N2)O" . "CCCN(CCC)CCc1cccc2c1CC(=N2)O" . "UHSKFQJFRQCDBE-UHFFFAOYSA-N" . "InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)" . "Oc1ccc(cc1)CCNC(C(c1ccc(cc1)O)O)C" . "Oc1ccc(cc1)CCN[C@H]([C@@H](c1ccc(cc1)O)O)C" . "IOVGROKTTNBUGK-SJCJKPOMSA-N" . "InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1" . "COC(=O)C1(CCN(CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC" . "COC(=O)C1(CCN(CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC" . "ZTVQQQVZCWLTDF-UHFFFAOYSA-N" . "InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3" . "COc1ccccc1OCC(CN1CCN(CC1)CC(=Nc1c(C)cccc1C)O)O" . "COc1ccccc1OCC(CN1CCN(CC1)CC(=Nc1c(C)cccc1C)O)O" . "XKLMZUWKNUAPSZ-UHFFFAOYSA-N" . "InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)" . "COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2" . "COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2" . "YREYEVIYCVEVJK-UHFFFAOYSA-N" . "InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)" . "CCC1Nc2cc(Cl)c(cc2C(=N1)O)S(=O)(=O)N" . "CCC1Nc2cc(Cl)c(cc2C(=N1)O)S(=O)(=O)N" . "AGMMTXLNIQSRCG-UHFFFAOYSA-N" . "InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)" . "OC(=N)c1cnccn1" . "OC(=N)c1cnccn1" . "IPEHBUMCGVEMRF-UHFFFAOYSA-N" . "InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)" . "CNC(C(c1ccccc1)O)C" . "CN[C@H]([C@H](c1ccccc1)O)C" . "KWGRBVOPPLSCSI-WCBMZHEXSA-N" . "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1" . "CNCCCC1c2ccccc2C=Cc2c1cccc2" . "CNCCCC1c2ccccc2C=Cc2c1cccc2" . "BWPIARFWQZKAIA-UHFFFAOYSA-N" . "InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3" . "CCC(=O)c1ccc2c(c1)N(CC(N(C)C)C)c1c(S2)cccc1" . "CCC(=O)c1ccc2c(c1)N(CC(N(C)C)C)c1c(S2)cccc1" . "UVOIBTBFPOZKGP-UHFFFAOYSA-N" . "InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3" . "CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC" . "CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC" . "KCLANYCVBBTKTO-UHFFFAOYSA-N" . "InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3" . "CN(C(CN1c2ccccc2Sc2c1cccc2)C)C" . "CN(C(CN1c2ccccc2Sc2c1cccc2)C)C" . "PWWVAXIEGOYWEE-UHFFFAOYSA-N" . "InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3" . "CN(CCCN1c2ccccc2Sc2c1cccc2)C" . "CN(CCCN1c2ccccc2Sc2c1cccc2)C" . "ZGUGWUXLJSTTMA-UHFFFAOYSA-N" . "InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3" . "OC(c1ccccc1)(C1CCCCC1)CCN1CCCC1" . "OC(c1ccccc1)(C1CCCCC1)CCN1CCCC1" . "WYDUSKDSKCASEF-UHFFFAOYSA-N" . "InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2" . "CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2" . "CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2" . "WIKYUJGCLQQFNW-UHFFFAOYSA-N" . "InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3" . "CNNCc1ccc(cc1)C(=O)NC(C)C" . "CNNCc1ccc(cc1)C(=O)NC(C)C" . "CPTBDICYNRMXFX-UHFFFAOYSA-N" . "InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)" . "CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C" . "CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C" . "FYPMFJGVHOHGLL-UHFFFAOYSA-N" . "InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3" . "CCCNC(C(=Nc1ccccc1C)O)C" . "CCCNC(C(=Nc1ccccc1C)O)C" . "MVFGUOIZUNYYSO-UHFFFAOYSA-N" . "InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)" . "Clc1ccc2c(c1)C(=NCC(=O)N2CC1CC1)c1ccccc1" . "Clc1ccc2c(c1)C(=NCC(=O)N2CC1CC1)c1ccccc1" . "MWQCHHACWWAQLJ-UHFFFAOYSA-N" . "InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2" . "CN1C(CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N" . "CN1C(CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N" . "CYLWJCABXYDINA-UHFFFAOYSA-N" . "InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)" . "OC(=Nc1ccccn1)C1=C(O)c2ccccc2S(=O)(=O)N1C" . "OC(=Nc1ccccn1)C1=C(O)c2ccccc2S(=O)(=O)N1C" . "QYSPLQLAKJAUJT-UHFFFAOYSA-N" . "InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)" . "OCc1nc(ccc1O)C(CNC(C)(C)C)O" . "OCc1nc(ccc1O)C(CNC(C)(C)C)O" . "VQDBNKDJNJQRDG-UHFFFAOYSA-N" . "InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3" . "BrCCC(=O)N1CCN(CC1)C(=O)CCBr" . "BrCCC(=O)N1CCN(CC1)C(=O)CCBr" . "NJBFOOCLYDNZJN-UHFFFAOYSA-N" . "InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2" . "CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1" . "CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1" . "VYMDGNCVAMGZFE-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3" . "OC(COc1ccccc1C1CCCC1)CNC(C)(C)C" . "O[C@H](COc1ccccc1C1CCCC1)CNC(C)(C)C" . "KQXKVJAGOJTNJS-HNNXBMFYSA-N" . "InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1" . "CN(Cc1ccccc1)CC#C" . "CN(Cc1ccccc1)CC#C" . "DPWPWRLQFGFJFI-UHFFFAOYSA-N" . "InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3" . "CCC1(C)OC(=O)N(C1=O)C" . "CCC1(C)OC(=O)N(C1=O)C" . "VQASKUSHBVDKGU-UHFFFAOYSA-N" . "InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3" . "COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F" . "COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F" . "IQPSEEYGBUAQFF-UHFFFAOYSA-N" . "InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)" . "NCCC(P(=O)(O)O)(P(=O)(O)O)O" . "NCCC(P(=O)(O)O)(P(=O)(O)O)O" . "WRUUGTRCQOWXEG-UHFFFAOYSA-N" . "InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2O" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2O" . "PMXMIIMHBWHSKN-UHFFFAOYSA-N" . "InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3" . "CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C" . "CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C" . "GFRUPHOKLBPHTQ-UHFFFAOYSA-N" . "InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1" . "CN1CCCN=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O" . "CN1CCCN=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O" . "DUDKAZCAISNGQN-UHFFFAOYSA-N" . "InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3" . "C=CCOc1ccccc1OCC(CNC(C)C)O" . "C=CCOc1ccccc1OCC(CNC(C)C)O" . "CEMAWMOMDPGJMB-UHFFFAOYSA-N" . "InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3" . "O=C1Cc2ccccc2N(c2c1cccc2)C(=N)O" . "O=C1Cc2ccccc2N(c2c1cccc2)C(=N)O" . "CTRLABGOLIVAIY-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)" . "CC(C(c1cccc(c1)O)O)N" . "C[C@@H]([C@@H](c1cccc(c1)O)O)N" . "WXFIGDLSSYIKKV-RCOVLWMOSA-N" . "InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1" . "CN(CCC=C1c2cc(ccc2OCc2c1cccc2)CC(=O)O)C" . "CN(CC/C=C/1/c2cc(ccc2OCc2c1cccc2)CC(=O)O)C" . "JBIMVDZLSHOPLA-LSCVHKIXSA-N" . "InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-" . "CNC(=CN(=O)=O)NCCSCc1csc(n1)CN(C)C" . "CN/C(=C/N(=O)=O)/NCCSCc1csc(n1)CN(C)C" . "SGXXNSQHWDMGGP-IZZDOVSWSA-N" . "InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+" . "CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl" . "CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl" . "VRBKIVRKKCLPHA-UHFFFAOYSA-N" . "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3" . "OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O" . "OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O" . "KOHIRBRYDXPAMZ-UHFFFAOYSA-N" . "InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2" . "COc1ccc2c(c1)ccc(c2)CCC(=O)C" . "COc1ccc2c(c1)ccc(c2)CCC(=O)C" . "BLXXJMDCKKHMKV-UHFFFAOYSA-N" . "InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3" . "CCOC(=Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1)O" . "CCOC(=Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1)O" . "FUBVWMNBEHXPSU-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)" . "COc1cc2c(cc1OC)CC[N+](C2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]1(C)CCc2c(C1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC" . "COc1cc2c(cc1OC)CC[N+]([C@@H]2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC" . "ILVYCEVXHALBSC-OTBYEXOQSA-N" . "InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1" . "OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO" . "OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO" . "KKZJGLLVHKMTCM-UHFFFAOYSA-N" . "InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2" . "CN1CCN2C(C1)c1ccccc1Cc1c2nccc1" . "CN1CCN2C(C1)c1ccccc1Cc1c2nccc1" . "RONZAEMNMFQXRA-UHFFFAOYSA-N" . "InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3" . "COc1ccc(cc1C(CN=C(CN)O)O)OC" . "COc1ccc(cc1C(CN=C(CN)O)O)OC" . "PTKSEFOSCHHMPD-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)" . "CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C" . "CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C" . "ZZHLYYDVIOPZBE-UHFFFAOYSA-N" . "InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3" . "COC(=O)C(c1ccccc1)C1CCCCN1" . "COC(=O)C(c1ccccc1)C1CCCCN1" . "DUGOZIWVEXMGBE-UHFFFAOYSA-N" . "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3" . "ClCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1C)S(=O)(=O)N" . "ClCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1C)S(=O)(=O)N" . "CESYKOGBSMNBPD-UHFFFAOYSA-N" . "InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)" . "COC(C(Cl)Cl)(F)F" . "COC(C(Cl)Cl)(F)F" . "RFKMCNOHBTXSMU-UHFFFAOYSA-N" . "InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3" . "C=CCC1(C(C#CCC)C)C(=NC(=O)N(C1=O)C)O" . "C=CCC1(C(C#CCC)C)C(=NC(=O)N(C1=O)C)O" . "NZXKDOXHBHYTKP-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)" . "CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2" . "CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2" . "MJFJKKXQDNNUJF-UHFFFAOYSA-N" . "InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3" . "CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2" . "CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2" . "HTMIBDQKFHUPSX-UHFFFAOYSA-N" . "InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3" . "CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C" . "CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C" . "SLVMESMUVMCQIY-UHFFFAOYSA-N" . "InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3" . "Sc1ncnc2c1nc[nH]2" . "Sc1ncnc2c1nc[nH]2" . "GLVAUDGFNGKCSF-UHFFFAOYSA-N" . "InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)" . "CCCC(COC(=N)O)(COC(=N)O)C" . "CCCC(COC(=N)O)(COC(=N)O)C" . "NPPQSCRMBWNHMW-UHFFFAOYSA-N" . "InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)" . "CN1CCCCC1C(=Nc1c(C)cccc1C)O" . "CN1CCCCC1C(=Nc1c(C)cccc1C)O" . "INWLQCZOYSRPNW-UHFFFAOYSA-N" . "InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)" . "CCC1(N=C(N(C1=O)C)O)c1ccccc1" . "CCC1(N=C(N(C1=O)C)O)c1ccccc1" . "GMHKMTDVRCWUDX-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)" . "Cc1cnc(s1)N=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)O" . "Cc1cnc(s1)N=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)O" . "ZRVUJXDFFKFLMG-UHFFFAOYSA-N" . "InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)" . "OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C" . "OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C" . "SBDNJUWAMKYJOX-UHFFFAOYSA-N" . "InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)" . "ClCCN(CCCl)C" . "ClCCN(CCCl)C" . "HAWPXGHAZFHHAD-UHFFFAOYSA-N" . "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3" . "CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1" . "CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1" . "JCCNYMKQOSZNPW-UHFFFAOYSA-N" . "InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3" . "Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1" . "Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1" . "RDOIQAHITMMDAJ-UHFFFAOYSA-N" . "InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3" . "ClCCN(C(=NC1CCCCC1)O)N=O" . "ClCCN(C(=NC1CCCCC1)O)N=O" . "GQYIWUVLTXOXAJ-UHFFFAOYSA-N" . "InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)" . "NCCCCC(C(=NC(Cc1ccccc1)C)O)N" . "NCCCC[C@@H](C(=N[C@H](Cc1ccccc1)C)O)N" . "VOBHXZCDAVEXEY-JSGCOSHPSA-N" . "InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1" . "CCC(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)OC(=O)C" . "CC[C@@H](C(c1ccccc1)(c1ccccc1)C[C@@H](N(C)C)C)OC(=O)C" . "XBMIVRRWGCYBTQ-AVRDEDQJSA-N" . "InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1" . "CCCCN1CCCCC1C(=Nc1c(C)cccc1C)O" . "CCCCN1CCCC[C@H]1C(=Nc1c(C)cccc1C)O" . "LEBVLXFERQHONN-INIZCTEOSA-N" . "InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1" . "C1CN2C(=NC(C2)c2ccccc2)S1" . "C1CN2C(=N[C@H](C2)c2ccccc2)S1" . "HLFSDGLLUJUHTE-SNVBAGLBSA-N" . "InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1" . "C=CCN1CCC23C(C1Cc1c3cc(cc1)O)CCCC2" . "C=CCN1CC[C@@]23[C@H]([C@H]1Cc1c3cc(cc1)O)CCCC2" . "OZYUPQUCAUTOBP-QXAKKESOSA-N" . "InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1" . "O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F" . "O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F" . "MJIHNNLFOKEZEW-UHFFFAOYSA-N" . "InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)" . "CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O" . "CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O" . "SGUAFYQXFOLMHL-UHFFFAOYSA-N" . "InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)" . "CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1" . "CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1" . "ZCVMWBYGMWKGHF-UHFFFAOYSA-N" . "InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3" . "CCC(C(c1ccc(c(c1)O)O)O)NC(C)C" . "CCC(C(c1ccc(c(c1)O)O)O)NC(C)C" . "HUYWAWARQUIQLE-UHFFFAOYSA-N" . "InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3" . "Cc1onc(c1)C(=O)NNCc1ccccc1" . "Cc1onc(c1)C(=O)NNCc1ccccc1" . "XKFPYPQQHFEXRZ-UHFFFAOYSA-N" . "InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)" . "CC1Cc2c(N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)cccc2" . "CC1Cc2c(N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)cccc2" . "NDDAHWYSQHTHNT-UHFFFAOYSA-N" . "InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)" . "Oc1ncc(cc1N)c1ccncc1" . "Oc1ncc(cc1N)c1ccncc1" . "RNLQIBCLLYYYFJ-UHFFFAOYSA-N" . "InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)" . "ClCCNP1(=O)OCCCN1CCCl" . "ClCCNP1(=O)OCCCN1CCCl" . "HOMGKSMUEGBAAB-UHFFFAOYSA-N" . "InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)" . "CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC" . "CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC" . "ALOBUEHUHMBRLE-UHFFFAOYSA-N" . "InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3" . "OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1" . "OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1" . "ZQDWXGKKHFNSQK-UHFFFAOYSA-N" . "InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2" . "OCCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC" . "OCCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC" . "XXSMGPRMXLTPCZ-UHFFFAOYSA-N" . "InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)" . "FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F" . "FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F" . "DMDGGSIALPNSEE-UHFFFAOYSA-N" . "InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)" . "CC(OC(=O)c1ccccc1)CNC1CCCCC1" . "CC(OC(=O)c1ccccc1)CNC1CCCCC1" . "DKLKMKYDWHYZTD-UHFFFAOYSA-N" . "InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3" . "NC(=N)NCCN1CCCCCCC1" . "NC(=N)NCCN1CCCCCCC1" . "ACGDKVXYNVEAGU-UHFFFAOYSA-N" . "InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)" . "NC(=N)NCC1COC2(O1)CCCCC2" . "NC(=N)NCC1COC2(O1)CCCCC2" . "HPBNRIOWIXYZFK-UHFFFAOYSA-N" . "InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)" . "CCC1(CCC(=NC1=O)O)c1ccccc1" . "CCC1(CCC(=NC1=O)O)c1ccccc1" . "JMBQKKAJIKAWKF-UHFFFAOYSA-N" . "InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)" . "CNC1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O" . "CN[C@H]1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O" . "XPSQPHWEGNHMSK-SECBINFHSA-N" . "InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1" . "O=C1N(COP(=O)(O)O)C(=NC1(c1ccccc1)c1ccccc1)O" . "O=C1N(COP(=O)(O)O)C(=NC1(c1ccccc1)c1ccccc1)O" . "XWLUWCNOOVRFPX-UHFFFAOYSA-N" . "InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)" . "NCCO/N=C(/c1ccc(cc1)C(F)(F)F)/CCCCOC" . "NCCO/N=C(/c1ccc(cc1)C(F)(F)F)/CCCCOC" . "CJOFXWAVKWHTFT-XSFVSMFZSA-N" . "InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+" . "O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1" . "O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1" . "SPIUTQOUKAMGCX-UHFFFAOYSA-N" . "InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3" . "CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C" . "CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C" . "YMTINGFKWWXKFG-UHFFFAOYSA-N" . "InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3" . "CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O" . "CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O" . "NNYBQONXHNTVIJ-UHFFFAOYSA-N" . "InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)" . "CC(P(=O)(O)O)(P(=O)(O)O)O" . "CC(P(=O)(O)O)(P(=O)(O)O)O" . "DBVJJBKOTRCVKF-UHFFFAOYSA-N" . "InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)" . "CCN1C(=O)C(N=C1O)c1ccccc1" . "CCN1C(=O)C(N=C1O)c1ccccc1" . "SZQIFWWUIBRPBZ-UHFFFAOYSA-N" . "InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)" . "CC1(CC)CC(=NC1=O)O" . "CC1(CC)CC(=NC1=O)O" . "HAPOVYFOVVWLRS-UHFFFAOYSA-N" . "InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)" . "CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC" . "CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC" . "CDOZDBSBBXSXLB-UHFFFAOYSA-N" . "InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3" . "CCC(C#C)(C=CCl)O" . "CCC(C#C)(/C=C/Cl)O" . "ZEHYJZXQEQOSON-AATRIKPKSA-N" . "InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+" . "Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1" . "Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1" . "JAUOIFJMECXRGI-UHFFFAOYSA-N" . "InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2" . "Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1" . "Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1" . "WYCLKVQLVUQKNZ-UHFFFAOYSA-N" . "InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "N#Cc1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(cc1)F" . "WSEQXVZVJXJVFP-FQEVSTJZSA-N" . "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1" . "N=C1NCC2N1c1ccccc1Cc1c2cccc1" . "N=C1NCC2N1c1ccccc1Cc1c2cccc1" . "WHWZLSFABNNENI-UHFFFAOYSA-N" . "InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)" . "FC(OC(C(Cl)F)(F)F)F" . "FC(OC(C(Cl)F)(F)F)F" . "JPGQOUSTVILISH-UHFFFAOYSA-N" . "InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H" . "CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C" . "CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C" . "KBUZBQVCBVDWKX-UHFFFAOYSA-N" . "InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3" . "CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1" . "CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1" . "BZEWSEKUUPWQDQ-UHFFFAOYSA-N" . "InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3" . "Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c(O)nc2c1cccc2" . "Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c(O)nc2c1cccc2" . "RMEDXOLNCUSCGS-UHFFFAOYSA-N" . "InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)" . "CN(CCOC(c1ccccn1)(c1ccccc1)C)C" . "CN(CCOC(c1ccccn1)(c1ccccc1)C)C" . "HCFDWZZGGLSKEP-UHFFFAOYSA-N" . "InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3" . "COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2" . "COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2" . "RUZYUOTYCVRMRZ-UHFFFAOYSA-N" . "InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)" . "CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CCN1CCOCC1" . "CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CCN1CCOCC1" . "XFDJYSQDBULQSI-UHFFFAOYSA-N" . "InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3" . "CCN(C(=S)SSC(=S)N(CC)CC)CC" . "CCN(C(=S)SSC(=S)N(CC)CC)CC" . "AUZONCFQVSMFAP-UHFFFAOYSA-N" . "InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3" . "CC(N(C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=N)O)C" . "CC(N(C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=N)O)C" . "UVTNFZQICZKOEM-UHFFFAOYSA-N" . "InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)" . "CNCC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O" . "CNCC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O" . "OCUJLLGVOUDECM-UHFFFAOYSA-N" . "InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3" . "CN1CCC(CC1)OC(c1ccccc1)c1ccccc1" . "CN1CCC(CC1)OC(c1ccccc1)c1ccccc1" . "OWQUZNMMYNAXSL-UHFFFAOYSA-N" . "InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3" . "CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1" . "CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1" . "HYPPXZBJBPSRLK-UHFFFAOYSA-N" . "InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3" . "OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1" . "OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1" . "OGAKLTJNUQRZJU-UHFFFAOYSA-N" . "InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2" . "Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O" . "Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O" . "HUPFGZXOMWLGNK-UHFFFAOYSA-N" . "InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)" . "CCN(C(C(=O)c1ccccc1)C)CC" . "CCN(C(C(=O)c1ccccc1)C)CC" . "XXEPPPIWZFICOJ-UHFFFAOYSA-N" . "InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3" . "CC=C(C(=CC)c1ccc(cc1)O)c1ccc(cc1)O" . "C/C=C(/C(=C/C)/c1ccc(cc1)O)/c1ccc(cc1)O" . "NFDFQCUYFHCNBW-SCGPFSFSSA-N" . "InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+" . "CCCCOc1nc2ccccc2c(c1)C(=NCCN(CC)CC)O" . "CCCCOc1nc2ccccc2c(c1)C(=NCCN(CC)CC)O" . "PUFQVTATUTYEAL-UHFFFAOYSA-N" . "InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)" . "CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C" . "CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C" . "KYYIDSXMWOZKMP-UHFFFAOYSA-N" . "InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3" . "FC(OC(C(F)(F)F)F)F" . "FC(OC(C(F)(F)F)F)F" . "DPYMFVXJLLWWEU-UHFFFAOYSA-N" . "InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H" . "Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2" . "Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2" . "RFWZESUMWJKKRN-UHFFFAOYSA-N" . "InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3" . "ClCCN(P1(=O)NCCCO1)CCCl" . "ClCCN(P1(=O)NCCCO1)CCCl" . "CMSMOCZEIVJLDB-UHFFFAOYSA-N" . "InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)" . "CN(CCOC(=O)C(C1(O)CCCC1)c1ccccc1)C" . "CN(CCOC(=O)C(C1(O)CCCC1)c1ccccc1)C" . "SKYSRIRYMSLOIN-UHFFFAOYSA-N" . "InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3" . "CN(CCC=C1c2ccccc2C=Cc2c1cccc2)C" . "CN(CCC=C1c2ccccc2C=Cc2c1cccc2)C" . "JURKNVYFZMSNLP-UHFFFAOYSA-N" . "InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3" . "CN1CCN(CC1)C(c1ccccc1)c1ccccc1" . "CN1CCN(CC1)C(c1ccccc1)c1ccccc1" . "UVKZSORBKUEBAZ-UHFFFAOYSA-N" . "InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3" . "COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)ccs2" . "COC(=O)[C@H](c1ccccc1Cl)N1CCc2c(C1)ccs2" . "GKTWGGQPFAXNFI-HNNXBMFYSA-N" . "InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1" . "O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1" . "O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1" . "RRGUKTPIGVIEKM-UHFFFAOYSA-N" . "InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)" . "Clc1ccc(cc1S(=O)(=O)N)C1(O)N=C(c2c1cccc2)O" . "Clc1ccc(cc1S(=O)(=O)N)C1(O)N=C(c2c1cccc2)O" . "JIVPVXMEBJLZRO-UHFFFAOYSA-N" . "InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)" . "COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC" . "COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC" . "BFPSDSIWYFKGBC-UHFFFAOYSA-N" . "InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3" . "CCN(CCOC(=O)c1ccc(cc1Cl)N)CC" . "CCN(CCOC(=O)c1ccc(cc1Cl)N)CC" . "VDANGULDQQJODZ-UHFFFAOYSA-N" . "InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3" . "ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl" . "ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl" . "JCKYGMPEJWAADB-UHFFFAOYSA-N" . "InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)" . "OC(COc1cccc2c1CCC(=N2)O)CNC(C)(C)C" . "OC(COc1cccc2c1CCC(=N2)O)CNC(C)(C)C" . "LWAFSWPYPHEXKX-UHFFFAOYSA-N" . "InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)" . "OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C" . "OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C" . "PUXBGTOOZJQSKH-UHFFFAOYSA-N" . "InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)" . "OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC" . "OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC" . "XZSMZRXAEFNJCU-UHFFFAOYSA-N" . "InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3" . "CN(CCOC(c1ccccn1)c1ccc(cc1)Cl)C" . "CN(CCOC(c1ccccn1)c1ccc(cc1)Cl)C" . "OJFSXZCBGQGRNV-UHFFFAOYSA-N" . "InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3" . "C=CCC1(CC(C)C)C(=NC(=O)N=C1O)O" . "C=CCC1(CC(C)C)C(=NC(=O)N=C1O)O" . "UZVHFVZFNXBMQJ-UHFFFAOYSA-N" . "InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)" . "CCC(C1(CC)C(=NC(=O)N=C1O)O)C" . "CCC(C1(CC)C(=NC(=O)N=C1O)O)C" . "ZRIHAIZYIMGOAB-UHFFFAOYSA-N" . "InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)" . "CS(=O)(=O)OCCCCOS(=O)(=O)C" . "CS(=O)(=O)OCCCCOS(=O)(=O)C" . "COVZYZSDYWQREU-UHFFFAOYSA-N" . "InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3" . "Clc1cccc(c1)C(=O)C(NC(C)(C)C)C" . "Clc1cccc(c1)C(=O)C(NC(C)(C)C)C" . "SNPPWIUOZRMYNY-UHFFFAOYSA-N" . "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3" . "Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C" . "Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C" . "MOYGZHXDRJNJEP-UHFFFAOYSA-N" . "InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3" . "OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C" . "OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C" . "VHYCDWMUTMEGQY-UHFFFAOYSA-N" . "InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3" . "OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1" . "OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1" . "YSXKPIUOCJLQIE-UHFFFAOYSA-N" . "InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2" . "NCCc1cc[nH]n1" . "NCCc1cc[nH]n1" . "JXDFEQONERDKSS-UHFFFAOYSA-N" . "InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)" . "Clc1cc2N=C(CSCc3ccccc3)NS(=O)(=O)c2cc1S(=O)(=O)N" . "Clc1cc2N=C(CSCc3ccccc3)NS(=O)(=O)c2cc1S(=O)(=O)N" . "NDTSRXAMMQDVSW-UHFFFAOYSA-N" . "InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)" . "CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC" . "CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC" . "JSZILQVIPPROJI-UHFFFAOYSA-N" . "InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3" . "CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC" . "CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC" . "CMHHMUWAYWTMGS-UHFFFAOYSA-N" . "InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3" . "O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N" . "O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N" . "HDWIHXWEUNVBIY-UHFFFAOYSA-N" . "InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)" . "CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2" . "CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2" . "MBUVEWMHONZEQD-UHFFFAOYSA-N" . "InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3" . "Cn1cnc(c1Sc1ncnc2c1nc[nH]2)N(=O)=O" . "Cn1cnc(c1Sc1ncnc2c1nc[nH]2)N(=O)=O" . "LMEKQMALGUDUQG-UHFFFAOYSA-N" . "InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)" . "CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1" . "CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1" . "SEBMTIQKRHYNIT-UHFFFAOYSA-N" . "InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3" . "CNCCC(c1ccccc1)Oc1ccccc1C" . "CNCC[C@H](c1ccccc1)Oc1ccccc1C" . "VHGCDTVCOLNTBX-QGZVFWFLSA-N" . "InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1" . "Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1" . "Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1" . "IEJXVRYNEISIKR-UHFFFAOYSA-N" . "InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)" . "c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1" . "c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1" . "REYFJDPCWQRWAA-UHFFFAOYSA-N" . "InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)" . "CCOC(=O)C1(CCN(CC1)CCc1ccc(cc1)N)c1ccccc1" . "CCOC(=O)C1(CCN(CC1)CCc1ccc(cc1)N)c1ccccc1" . "LKYQLAWMNBFNJT-UHFFFAOYSA-N" . "InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3" . "OC1=NC2=Nc3c(CN2C1)c(Cl)c(cc3)Cl" . "OC1=NC2=Nc3c(CN2C1)c(Cl)c(cc3)Cl" . "OTBXOEAOVRKTNQ-UHFFFAOYSA-N" . "InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)" . "CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C" . "CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C" . "SGRYPYWGNKJSDL-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)" . "CN(c1nc(nc(n1)N(C)C)N(C)C)C" . "CN(c1nc(nc(n1)N(C)C)N(C)C)C" . "UUVWYPNAQBNQJQ-UHFFFAOYSA-N" . "InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3" . "CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C" . "CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C" . "WKEMJKQOLOHJLZ-UHFFFAOYSA-N" . "InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3" . "COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C" . "COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C" . "WNMJYKCGWZFFKR-UHFFFAOYSA-N" . "InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)" . "COCC1(CCN(CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC" . "COCC1(CCN(CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC" . "IDBPHNDTYPBSNI-UHFFFAOYSA-N" . "InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3" . "CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O" . "CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O" . "GOEMGAFJFRBGGG-UHFFFAOYSA-N" . 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"CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CCl" . "CBGUOGMQLZIXBE-XGQKBEPLSA-N" . "InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1" . "OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F" . "OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F" . "UREBDLICKHMUKA-DVTGEIKXSA-N" . "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1" . "CC(=O)OCC(=O)C12OC3(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)CCCC3" . "CC(=O)OCC(=O)[C@@]12OC3(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)CCCC3" . "ILKJAFIWWBXGDU-MOGDOJJUSA-N" . "InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1" . "OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl" . "OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl" . "NBMKJKDGKREAPL-DVTGEIKXSA-N" . "InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1" . "O=C(c1ccccc1)NC1=CC(=O)c2c(C1=O)cccc2" . "O=C(c1ccccc1)NC1=CC(=O)c2c(C1=O)cccc2" . "BIVQBWSIGJFXLF-UHFFFAOYSA-N" . "InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)" . "ONC(=O)CCCCCC(C(=O)NC1CCCC1)NC(=O)OC(C)(C)C" . "ONC(=O)CCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OC(C)(C)C" . "YKINZQJOQFMNPU-AWEZNQCLSA-N" . "InChI=1S/C18H33N3O5/c1-18(2,3)26-17(24)20-14(11-5-4-6-12-15(22)21-25)16(23)19-13-9-7-8-10-13/h13-14,25H,4-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1" . "ONC(=O)c1ccc(cc1)CN1C(Cc2cccs2)C(=O)Nc2c1cccc2" . "ONC(=O)c1ccc(cc1)CN1[C@H](Cc2cccs2)C(=O)Nc2c1cccc2" . "HBEDNENASUYMPO-LJQANCHMSA-N" . "InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1" . "O[Al](OS(=O)(=O)OC1C(OC(C(C1OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)COS(=O)(=O)O[Al](O)O)OC1(COS(=O)(=O)O[Al](O)O)OC(C(C1OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)O" . "O[Al](OS(=O)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)COS(=O)(=O)O[Al](O)O)O[C@]1(COS(=O)(=O)O[Al](O)O)O[C@@H]([C@H]([C@@H]1OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)O" . "MNQYNQBOVCBZIQ-JQOFMKNESA-A" . "InChI=1S/C11H20O35S8.8Al.16H2O/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;16*1H2/q;8*+3;;;;;;;;;;;;;;;;/p-24/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1" . "CCC1(CCC(=O)NC1=O)c1ccc(cc1)N" . "CCC1(CCC(=O)NC1=O)c1ccc(cc1)N" . "ROBVIMPUHSLWNV-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)" . "[O-][N+](=O)OC1COC2C1OCC2O[N+](=O)[O-]" . "[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]" . "MOYKHGMNXAOIAT-JGWLITMVSA-N" . "InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1" . "N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1" . "N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1" . "PRMWGUBFXWROHD-UHFFFAOYSA-N" . "InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1[nH]cnc1)N)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCNC(=N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N" . "CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)N" . "CILIXQOJUNDIDU-ASQIGDHWSA-N" . "InChI=1S/C164H252N44O55S/c1-21-77(11)126(156(255)187-95(44-46-114(167)214)141(240)206-130(83(17)211)160(259)186-93(42-33-34-49-165)140(239)202-129(80(14)24-4)159(258)208-131(84(18)212)161(260)200-111(163(262)263)66-125(230)231)203-151(250)100(54-76(9)10)189-145(244)103(57-88-67-175-92-41-32-31-40-90(88)92)192-147(246)105(60-116(169)216)199-157(256)127(78(12)22-2)204-152(251)102(56-87-38-29-26-30-39-87)190-149(248)109(64-123(226)227)195-137(236)94(43-35-50-174-164(171)172)183-134(233)82(16)179-133(232)81(15)180-142(241)98(52-74(5)6)188-146(245)104(59-115(168)215)194-150(249)110(65-124(228)229)196-143(242)99(53-75(7)8)198-158(257)128(79(13)23-3)205-162(261)132(85(19)213)207-153(252)106(61-117(170)217)193-139(238)97(48-51-264-20)185-138(237)96(45-47-120(220)221)184-148(247)108(63-122(224)225)197-155(254)113(72-210)201-144(243)101(55-86-36-27-25-28-37-86)191-154(253)112(71-209)182-119(219)70-177-136(235)107(62-121(222)223)181-118(218)69-176-135(234)91(166)58-89-68-173-73-178-89/h25-32,36-41,67-68,73-85,91,93-113,126-132,175,209-213H,21-24,33-35,42-66,69-72,165-166H2,1-20H3,(H2,167,214)(H2,168,215)(H2,169,216)(H2,170,217)(H,173,178)(H,176,234)(H,177,235)(H,179,232)(H,180,241)(H,181,218)(H,182,219)(H,183,233)(H,184,247)(H,185,237)(H,186,259)(H,187,255)(H,188,245)(H,189,244)(H,190,248)(H,191,253)(H,192,246)(H,193,238)(H,194,249)(H,195,236)(H,196,242)(H,197,254)(H,198,257)(H,199,256)(H,200,260)(H,201,243)(H,202,239)(H,203,250)(H,204,251)(H,205,261)(H,206,240)(H,207,252)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,262,263)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-,132-/m0/s1" . "CCC1C(O)C2C3CCC(C3(C)C(CC2C2(C1CC(O)CC2)C)O)C(CC(C(=O)O)C)C" . "CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)[C@H](C[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)O)[C@@H](C[C@@H](C(=O)O)C)C" . "NPBCMXATLRCCLF-IRRLEISYSA-N" . "InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1" . "NS(=O)(=O)Cc1noc2c1cccc2" . "NS(=O)(=O)Cc1noc2c1cccc2" . "UBQNRHZMVUUOMG-UHFFFAOYSA-N" . "InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)" . "Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N" . "Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N" . "SETFNECMODOHTO-UHFFFAOYSA-N" . "InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)" . "COC(=O)C=CC(=O)OC" . "COC(=O)/C=C/C(=O)OC" . "LDCRTTXIJACKKU-ONEGZZNKSA-N" . "InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+" . "C=CCCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1c(F)cccc1F" . "C=CCCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1c(F)cccc1F" . "QKPSTNGNDWHYCH-UHFFFAOYSA-N" . "InChI=1S/C23H23ClF2N2O/c1-2-3-11-27-12-9-23(10-13-27)15-28(20-8-7-16(24)14-17(20)23)22(29)21-18(25)5-4-6-19(21)26/h2,4-8,14H,1,3,9-13,15H2" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCCN=C(N)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCCN)Cc1ccccc1)C)CC(=O)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)CS)Cc1ccc(cc1)O)CC(C)C)CC(=O)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "SNXBDZJJBKGJKY-CBQXUBDJSA-N" . "InChI=1S/C135H217N45O32S/c1-10-74(8)107(179-125(207)100(70-213)178-121(203)94(63-78-41-45-80(181)46-42-78)161-103(184)68-159-111(193)91(58-71(2)3)172-109(191)82(138)61-76-28-13-11-14-29-76)127(209)176-96(64-79-43-47-81(182)48-44-79)123(205)174-93(60-73(6)7)120(202)175-97(65-102(139)183)124(206)170-88(37-24-54-155-133(146)147)116(198)164-84(32-17-19-49-136)112(194)165-86(35-22-52-153-131(142)143)114(196)163-83(34-21-51-152-130(140)141)110(192)158-69-104(185)162-98(66-105(186)187)128(210)180-57-27-40-101(180)126(208)160-75(9)108(190)171-95(62-77-30-15-12-16-31-77)122(204)168-85(33-18-20-50-137)113(195)166-87(36-23-53-154-132(144)145)115(197)167-89(38-25-55-156-134(148)149)117(199)173-92(59-72(4)5)119(201)169-90(39-26-56-157-135(150)151)118(200)177-99(129(211)212)67-106(188)189/h11-16,28-31,41-48,71-75,82-101,107,181-182,213H,10,17-27,32-40,49-70,136-138H2,1-9H3,(H2,139,183)(H,158,192)(H,159,193)(H,160,208)(H,161,184)(H,162,185)(H,163,196)(H,164,198)(H,165,194)(H,166,195)(H,167,197)(H,168,204)(H,169,201)(H,170,206)(H,171,190)(H,172,191)(H,173,199)(H,174,205)(H,175,202)(H,176,209)(H,177,200)(H,178,203)(H,179,207)(H,186,187)(H,188,189)(H,211,212)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t74-,75-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)C)C)Cc1ccccc1)CC(C)C)C(C)C)C)CCCN=C(N)N)CO)Cc1c[nH]c2c1cccc2)CCCN=C(N)N)Cc1nc[nH]c1)CS)NC(=O)C(CO)N " . "CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "HPWUNEYLOMSFEY-HVUBXCGRSA-N" . "InChI=1S/C94H144N32O21S2/c1-48(2)35-64(81(136)121-68(36-53-19-10-9-11-20-53)90(145)125-32-17-26-71(125)87(142)112-50(5)74(129)110-51(6)75(130)117-66(38-55-41-102-46-108-55)84(139)116-63(25-16-31-106-94(100)101)89(144)126-33-18-27-72(126)91(146)147)120-88(143)73(49(3)4)124-76(131)52(7)111-78(133)60(23-14-29-104-92(96)97)115-85(140)69(44-128)122-82(137)65(37-54-40-107-59-22-13-12-21-57(54)59)118-79(134)61(24-15-30-105-93(98)99)114-83(138)67(39-56-42-103-47-109-56)119-86(141)70(45-148)123-80(135)62(28-34-149-8)113-77(132)58(95)43-127/h9-13,19-22,40-42,46-52,58,60-73,107,127-128,148H,14-18,23-39,43-45,95H2,1-8H3,(H,102,108)(H,103,109)(H,110,129)(H,111,133)(H,112,142)(H,113,132)(H,114,138)(H,115,140)(H,116,139)(H,117,130)(H,118,134)(H,119,141)(H,120,143)(H,121,136)(H,122,137)(H,123,135)(H,124,131)(H,146,147)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t50-,51-,52-,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1" . "COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccccn1)[N+](=O)[O-]" . "COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccccn1)[N+](=O)[O-]" . "TUSCHIFEASZBBF-UHFFFAOYSA-N" . "InChI=1S/C27H30FN5O5S/c1-38-25-16-23(33(34)35)8-9-26(25)39(36,37)32-18-21(24(19-32)20-5-4-6-22(28)15-20)17-30-11-13-31(14-12-30)27-7-2-3-10-29-27/h2-10,15-16,21,24H,11-14,17-19H2,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CCC(=O)N)C)N " . "CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)O" . "NZCFITBCFLGDFN-JEDGRRCBSA-N" . "InChI=1S/C41H78N16O11/c1-21(2)18-28(56-36(64)27(13-14-31(44)59)52-32(60)23(5)51-33(61)24(43)10-6-7-15-42)37(65)54-25(11-8-16-49-40(45)46)34(62)53-26(12-9-17-50-41(47)48)35(63)55-29(19-22(3)4)38(66)57-30(20-58)39(67)68/h21-30,58H,6-20,42-43H2,1-5H3,(H2,44,59)(H,51,61)(H,52,60)(H,53,62)(H,54,65)(H,55,63)(H,56,64)(H,57,66)(H,67,68)(H4,45,46,49)(H4,47,48,50)/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1" . "OCCOc1c(C)cc(cc1C)c1nc(=O)c2c([nH]1)cc(cc2OC)OC" . "OCCOc1c(C)cc(cc1C)c1nc(=O)c2c([nH]1)cc(cc2OC)OC" . "NETXMUIMUZJUTB-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)" . "CCNC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC" . "CCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC" . "AAAQFGUYHFJNHI-SFHVURJKSA-N" . "InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1" . "O=C(Nc1ccc2c(c1)snn2)NCCC1=CCCCC1" . "O=C(Nc1ccc2c(c1)snn2)NCCC1=CCCCC1" . "GGXCUZHEJUJACD-UHFFFAOYSA-N" . "InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)" . "CNCCN1CCC(CC1)c1cc(C)c2c(c1)[nH]c(n2)c1c(OC)cccc1OC" . "CNCCN1CCC(CC1)c1cc(C)c2c(c1)[nH]c(n2)c1c(OC)cccc1OC" . "PFOQIHIIOLBCEQ-UHFFFAOYSA-N" . "InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)" . "O=C(C(N)C)NCc1cccc(c1)n1nc(cc1c1nnc(o1)c1cccc2c1scn2)C(F)(F)F" . "O=C([C@@H](N)C)NCc1cccc(c1)n1nc(cc1c1nnc(o1)c1cccc2c1scn2)C(F)(F)F" . "KODBDIFHMBDFOH-LBPRGKRZSA-N" . "InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1" . "O=C(C(SC1c2ccccc2Oc2c1cccc2)C)NCCNC(=O)C(SC1c2ccccc2Oc2c1cccc2)C" . "O=C(C(SC1c2ccccc2Oc2c1cccc2)C)NCCNC(=O)C(SC1c2ccccc2Oc2c1cccc2)C" . "KBXOGBYQKMAAIA-UHFFFAOYSA-N" . "InChI=1S/C34H32N2O4S2/c1-21(41-31-23-11-3-7-15-27(23)39-28-16-8-4-12-24(28)31)33(37)35-19-20-36-34(38)22(2)42-32-25-13-5-9-17-29(25)40-30-18-10-6-14-26(30)32/h3-18,21-22,31-32H,19-20H2,1-2H3,(H,35,37)(H,36,38)" . "O=C(Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O" . "O=C(Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O" . "PCGISRHGYLRXSR-UHFFFAOYSA-N" . "InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)" . "OC(=O)CCNc1nc(nc(c1)N1CCc2ccccc2CC1)c1ccccn1" . "OC(=O)CCNc1nc(nc(c1)N1CCc2ccccc2CC1)c1ccccn1" . "AVZCPICCWKMZDT-UHFFFAOYSA-N" . "InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)" . "Cc1ccc(cc1)n1sc2c(c1=O)cccc2" . "Cc1ccc(cc1)n1sc2c(c1=O)cccc2" . "KRXMYBAZKJBJAB-UHFFFAOYSA-N" . "InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3" . "CN(NC(=O)CCC(=O)O)C" . "CN(NC(=O)CCC(=O)O)C" . "NOQGZXFMHARMLW-UHFFFAOYSA-N" . "InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)" . "O=C(C(NC(=O)c1ccccc1)CCOc1cccc(c1)C1CC1N)NCc1ccccc1" . "O=C([C@H](NC(=O)c1ccccc1)CCOc1cccc(c1)[C@@H]1C[C@H]1N)NCc1ccccc1" . "DTPSXFMGMQOVTG-ISJGIBHGSA-N" . "InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23-,24+,25+/m0/s1" . "NC1CC1c1ccc(cc1)c1cccc(c1)O" . "N[C@H]1C[C@@H]1c1ccc(cc1)c1cccc(c1)O" . "DSOJSZXQRJGBCW-CABCVRRESA-N" . "InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1" . "OC(CC(C(C(C(C)C)O)C)O)CC=C(C1C(=CC2(C(C1C=C(C(=O)O)C)C(C)C(CC2O)O)C)C)C" . "O[C@H](C[C@H]([C@@H]([C@H](C(C)C)O)C)O)C/C=C(/[C@@H]1C(=C[C@]2([C@@H]([C@H]1/C=C(/C(=O)O)/C)[C@@H](C)[C@@H](C[C@H]2O)O)C)C)/C" . "ZNAYXHSDZPSFLO-UWXUHECCSA-N" . "InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1" . "O=C1COc2c(N1)c(O)ccc2CCNCCN(C(=O)CCNCCc1ccc(c(c1)Cl)Cl)C1CCCCC1" . "O=C1COc2c(N1)c(O)ccc2CCNCCN(C(=O)CCNCCc1ccc(c(c1)Cl)Cl)C1CCCCC1" . "LIBVHXXKHSODII-UHFFFAOYSA-N" . "InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)" . "O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)CC1OC(C(C1O)O)n1cc(c2c1ncnc2N)Br" . "O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)Br" . "IQCKJUKAQJINMK-HUBRGWSESA-N" . "InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1" . "CNCC(c1cccc(c1)NS(=O)(=O)C)O" . "CNCC(c1cccc(c1)NS(=O)(=O)C)O" . "ZHOWHMXTJFZXRB-UHFFFAOYSA-N" . "InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3" . "OC1C(CN(C2CC(C2)CCc2nc3c([nH]2)ccc(c3)C(C)(C)C)C(C)C)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](CN([C@@H]2C[C@@H](C2)CCc2nc3c([nH]2)ccc(c3)C(C)(C)C)C(C)C)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "LXFOLMYKSYSZQS-LURJZOHASA-N" . "InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1" . "OC(=O)C(CCSCC1OC(C(C1O)O)n1cc(c2c1ncnc2N)Br)N" . "OC(=O)[C@H](CCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)Br)N" . "DIULHULFPSIBAK-TWBCTODHSA-N" . "InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1" . "CC(Cc1ccc(cc1)C(C(=O)O)C)C" . "CC(Cc1ccc(cc1)C(C(=O)O)C)C" . "HEFNNWSXXWATRW-UHFFFAOYSA-N" . "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)" . "COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(CC1)(F)F" . "COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(CC1)(F)F" . "RNAMYOYQYRYFQY-UHFFFAOYSA-N" . "InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)" . "COC(=O)c1ccc2c(c1)nc(n2CCCc1ccccc1)NC(=O)c1ccccc1" . "COC(=O)c1ccc2c(c1)nc(n2CCCc1ccccc1)NC(=O)c1ccccc1" . "UCGWYCMPZXDHNR-UHFFFAOYSA-N" . "InChI=1S/C25H23N3O3/c1-31-24(30)20-14-15-22-21(17-20)26-25(27-23(29)19-12-6-3-7-13-19)28(22)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H,26,27,29)" . "COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1" . "COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1" . "QOECJCJVIMVJGX-UHFFFAOYSA-N" . "InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)" . "COc1cc2nc(nc(c2cc1OC)NC1CCN(CC1)Cc1ccccc1)N1CCCN(CC1)C" . "COc1cc2nc(nc(c2cc1OC)NC1CCN(CC1)Cc1ccccc1)N1CCCN(CC1)C" . "OSXFATOLZGZLSK-UHFFFAOYSA-N" . "InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)" . "CCC(n1ccc2c1cc(C#N)cc2C(=O)NCc1c(C)cc([nH]c1=O)C)CC" . "CCC(n1ccc2c1cc(C#N)cc2C(=O)NCc1c(C)cc([nH]c1=O)C)CC" . "PFHDWRIVDDIFRP-UHFFFAOYSA-N" . "InChI=1S/C23H26N4O2/c1-5-17(6-2)27-8-7-18-19(10-16(12-24)11-21(18)27)22(28)25-13-20-14(3)9-15(4)26-23(20)29/h7-11,17H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)" . "CCC(n1cc(c2c1cc(cc2C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(nc1)N1CCNCC1)C)C" . "CC[C@@H](n1cc(c2c1cc(cc2C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(nc1)N1CCNCC1)C)C" . "FKSFKBQGSFSOSM-QFIPXVFZSA-N" . "InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1" . "CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCOCC1)C1CCOCC1" . "CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCOCC1)C1CCOCC1" . "NSQSAUGJQHDYNO-UHFFFAOYSA-N" . "InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)" . "ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1" . "ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1" . "QGZYDVAGYRLSKP-UHFFFAOYSA-N" . "InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)" . "CCCC(C(=O)O)CCC" . "CCCC(C(=O)O)CCC" . "NIJJYAXOARWZEE-UHFFFAOYSA-N" . "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" . "O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N" . "O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N" . "HRNLUBSXIHFDHP-UHFFFAOYSA-N" . "InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)" . "O=C(OCc1cccnc1)NCc1ccc(cc1)C(=O)Nc1ccccc1N" . "O=C(OCc1cccnc1)NCc1ccc(cc1)C(=O)Nc1ccccc1N" . "INVTYAOGFAGBOE-UHFFFAOYSA-N" . "InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)" . "Cc1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)C(=O)O" . "Cc1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)C(=O)O" . "QSPCKQSNISDWOH-UHFFFAOYSA-N" . "InChI=1S/C16H11NO5/c1-9-2-4-10(5-3-9)22-11-6-7-12-13(8-11)15(19)17(14(12)18)16(20)21/h2-8H,1H3,(H,20,21)" . "CC=C1NC(=O)C2CSSCCC=CC(OC(=O)C(NC1=O)C(C)C)CC(=O)NC(C(=O)N2)C(C)C" . "C/C=C/1/NC(=O)[C@H]2CSSCC/C=C/[C@@H](OC(=O)[C@@H](NC1=O)C(C)C)CC(=O)N[C@@H](C(=O)N2)C(C)C" . "OHRURASPPZQGQM-GCCNXGTGSA-N" . "InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1" . "ONC(=O)C=CC(=CC(C(=O)c1ccc(cc1)N(C)C)C)C" . "ONC(=O)/C=C/C(=C/[C@H](C(=O)c1ccc(cc1)N(C)C)C)/C" . "RTKIYFITIVXBLE-QEQCGCAPSA-N" . "InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1" . "CC1=NN(C(=O)C1=Cc1ccc(o1)c1cc(C)c(cc1[N+](=O)[O-])C)c1ccc(cc1)C(=O)O" . "CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1cc(C)c(cc1[N+](=O)[O-])C)c1ccc(cc1)C(=O)O" . "HEKJYZZSCQBJGB-UNOMPAQXSA-N" . "InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12-" . "CC1=CC(=O)c2c(C1=O)cccc2O" . "CC1=CC(=O)c2c(C1=O)cccc2O" . "VCMMXZQDRFWYSE-UHFFFAOYSA-N" . "InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3" . "N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1" . "N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1" . "HYJITQQQMJSBOL-UHFFFAOYSA-N" . "InChI=1S/C19H15BN/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H/q-1" . "Oc1cc(O)c2c(c1)OC(C(C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O" . "Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O" . "WMBWREPUVVBILR-WIYYLYMNSA-N" . "InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1" . "CC(=CCC12C(=O)C(=C(c3ccc(c(c3)O)O)O)C(=O)C(C1=O)(CC(C(=C)C)CC=C(C)C)CC(C2(C)C)CC=C(C)C)C" . "CC(=CC[C@]12C(=O)C(=C(c3ccc(c(c3)O)O)O)C(=O)[C@@](C1=O)(C[C@@H](C(=C)C)CC=C(C)C)C[C@H](C2(C)C)CC=C(C)C)C" . "DTTONLKLWRTCAB-SMDXAGPFSA-N" . "InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m0/s1" . "COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O" . "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O" . "VFLDPWHFBUODDF-FCXRPNKRSA-N" . "InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+" . "C=CCC=CCC=CCCCCCCCc1cccc(c1C(=O)O)O" . "C=CC/C=C/C/C=C/CCCCCCCc1cccc(c1C(=O)O)O" . "QUVGEKPNSCFQIR-AOSYACOCSA-N" . "InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4+,8-7+" . "OC(=O)C(NC(=O)c1c(C)cc(cc1C)c1cccc(c1)NC(c1ccc(c(c1)C)Cl)C)C" . "OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C" . "KYHUARFFBDLROH-MOPGFXCFSA-N" . "InChI=1S/C27H29ClN2O3/c1-15-11-20(9-10-24(15)28)18(4)29-23-8-6-7-21(14-23)22-12-16(2)25(17(3)13-22)26(31)30-19(5)27(32)33/h6-14,18-19,29H,1-5H3,(H,30,31)(H,32,33)/t18-,19+/m1/s1" . "CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N" . "CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N" . "LRFKWQGGENFBFO-IBGZPJMESA-N" . "InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1" . "CCCCCCCCOCC(COP(=S)(O)O)OCCCCCCCC" . "CCCCCCCCOC[C@@H](COP(=S)(O)O)OCCCCCCCC" . "PLCCQSPJUXGEHV-IBGZPJMESA-N" . "InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1" . "CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)O" . "CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O)O" . "HUUYDUFSUADEJQ-NRFANRHFSA-N" . "InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25)/t21-/m0/s1" . "CC(Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=C)(=C)c1ccc(c(c1)Cl)Cl" . "C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=C)(=C)c1ccc(c(c1)Cl)Cl" . "WBVRCGUUZYPAGR-INIZCTEOSA-N" . "InChI=1S/C22H27Cl2N5S2/c1-15-13-30-21-20(15)25-14-26-22(21)27-16(2)12-28-7-9-29(10-8-28)31(3,4)17-5-6-18(23)19(24)11-17/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H,25,26,27)/t16-/m0/s1" . "CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O" . "CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O" . "LNMFICMTNRORPU-UHFFFAOYSA-N" . "InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-16-10-8-11-17(12-16)18-13-19(20,14-18)15-24-25(21,22)23/h8,10-12,18H,2-7,9,13-15,20H2,1H3,(H2,21,22,23)" . "CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O[Na])O)Br)O" . "CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O[Na])O)Br)O" . "XCUPLWPVEJCIBO-HMEPSURWSA-M" . "InChI=1S/C20H40BrO6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26;/h18-19,22H,2-17H2,1H3,(H2,24,25,26);/q;+1/p-1/t18-,19?;/m0./s1" . "OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1)C)C" . "OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1)C)C" . "LNDDRUPAICPXIN-GOSISDBHSA-N" . "InChI=1S/C27H24N2O5/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31)/t18-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O)O)Br)O" . "CCCCCCCCCCCCCCCC(=O)OC[C@H](C[C@@H](P(=O)(O)O)Br)O" . "HLVKVWDSLLFMSX-RBUKOAKNSA-N" . "InChI=1S/C20H40BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h18-19,22H,2-17H2,1H3,(H2,24,25,26)/t18-,19+/m0/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O)O)Br)O" . "CCCCCCCCCCCCCCCC(=O)OC[C@H](C[C@H](P(=O)(O)O)Br)O" . "HLVKVWDSLLFMSX-OALUTQOASA-N" . "InChI=1S/C20H40BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h18-19,22H,2-17H2,1H3,(H2,24,25,26)/t18-,19-/m0/s1" . "CC[N+](CC)(CC)CC" . "CC[N+](CC)(CC)CC" . "CBXCPBUEXACCNR-UHFFFAOYSA-N" . "InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1" . "CCCCCCCCC=CCCCCCCCC(=O)OC1COCCC1OP(=O)(S[Na])O" . "CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1COCC[C@@H]1OP(=O)(S[Na])O" . "DFEVXZSENXLXQQ-LYOQJJATSA-M" . "InChI=1S/C23H43O6PS.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)28-22-20-27-19-18-21(22)29-30(25,26)31;/h9-10,21-22H,2-8,11-20H2,1H3,(H2,25,26,31);/q;+1/p-1/b10-9-;/t21-,22+;/m0./s1" . "CCCCCCCCC=CCCCCCCCC(=O)OP(=O)(SC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC" . "CCCCCCCC/C=C/CCCCCCCC(=O)OP(=O)(SC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC" . "VZTWVTAPKVGVJL-IUPFWZBJSA-N" . "InChI=1S/C54H99O6PS/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52(55)59-61(58,60-53(56)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)62-54(57)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-51H2,1-3H3/b28-25-,29-26-,30-27-" . "CCCCCCCCC=CCCCCCCCC(=O)NCCOP(=O)(O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)NCCOP(=O)(O)O" . "BCSUWOZFWWBYSX-MDZDMXLPSA-N" . "InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9+" . "NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl" . "NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl" . "HTIQEAQVCYTUBX-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3" . "CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C(=O)OCCNC(=O)c1ccc(cc1)N=[N+]=[N-])C" . "CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C(=O)OCCNC(=O)c1ccc(cc1)N=[N+]=[N-])C" . "SWMHKFTXBOJETC-UHFFFAOYSA-N" . "InChI=1S/C27H26F3N5O5/c1-4-39-25(37)21-15(2)33-16(3)22(23(21)19-7-5-6-8-20(19)27(28,29)30)26(38)40-14-13-32-24(36)17-9-11-18(12-10-17)34-35-31/h5-12,23,33H,4,13-14H2,1-3H3,(H,32,36)" . "O=C(C(NC(=O)C(C(C)C)O)C)NC1C(=O)N(C)CCc2c1cccc2" . "O=C([C@@H](NC(=O)[C@H](C(C)C)O)C)N[C@@H]1C(=O)N(C)CCc2c1cccc2" . "PKXWXXPNHIWQHW-RCBQFDQVSA-N" . "InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1" . "Fc1cnc(nc1)C(Nc1nc(Nc2ncn(c2)C)c2c(n1)[nH]cc2)C" . "Fc1cnc(nc1)[C@@H](Nc1nc(Nc2ncn(c2)C)c2c(n1)[nH]cc2)C" . "QHXBWJSQXSYAGG-VIFPVBQESA-N" . "InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1" . "CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C" . "CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C" . "SOYKEARSMXGVTM-UHFFFAOYSA-N" . "InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3" . "O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl" . "O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl" . "BPQMGSKTAYIVFO-UHFFFAOYSA-N" . "InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)" . "O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C" . "O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C" . "GCKMFJBGXUYNAG-HLXURNFRSA-N" . "InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)N=C(N)OC(C1)C(F)(F)F)F" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)O[C@@H](C1)C(F)(F)F)F" . "MELQHVBGGSKVJQ-YJBOKZPZSA-N" . "InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1" . "O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]" . "O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]" . "MKXKFYHWDHIYRV-UHFFFAOYSA-N" . "InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)" . "Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O" . "Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O" . "MIQPIUSUKVNLNT-UHFFFAOYSA-N" . "InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N)C(O)C)CO)C(O)C)CC(=O)N)C(O)C)CCCN=C(N)N)Cc1ccc(cc1)O)C(O)C)CCC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CO)CC(=O)N)CC(C)C)CO)CS)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1c[nH]cn1" . "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O" . "AZCMZZXDDMAXIT-VJVYQDLKSA-N" . "InChI=1S/C145H242N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99(63-239)181-142(235)114(74(16)197)187-135(228)98(61-193)180-129(222)90(49-69(9)10)172-131(224)92(52-104(151)202)174-134(227)96(59-191)178-117(210)79(148)62-238)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199,238-239H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C(CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(CO)N)CCC(=O)O)CCC(=O)O)CO)CC(C)C)CC(=O)O)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CCC(=O)O)CCC(=O)O)CO)CC(C)C)CC(=O)O)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N" . "PNMZQWKBJIQQJL-FAUHKOHMSA-N" . "InChI=1S/C208H343N59O64S2/c1-30-106(20)161(263-198(323)147-49-41-75-266(147)204(329)148-50-42-76-267(148)203(328)132(59-68-158(286)287)246-179(304)126(55-64-154(278)279)235-169(294)117(210)93-268)200(325)260-146(95-270)197(322)253-137(83-102(12)13)189(314)256-144(90-159(288)289)194(319)252-139(85-104(16)17)195(320)265-164(113(27)271)202(327)258-140(86-114-43-34-33-35-44-114)190(315)254-142(88-116-92-222-97-227-116)191(316)251-136(82-101(10)11)188(313)250-135(81-100(8)9)185(310)237-121(48-40-74-225-208(219)220)174(299)241-128(57-66-156(282)283)182(307)261-160(105(18)19)199(324)257-138(84-103(14)15)187(312)243-127(56-65-155(280)281)178(303)244-130(69-77-332-28)172(297)230-109(23)165(290)232-119(46-38-72-223-206(215)216)170(295)228-110(24)166(291)234-125(54-63-153(276)277)177(302)240-124(53-62-151(213)274)180(305)248-133(79-98(4)5)184(309)231-111(25)167(292)233-123(52-61-150(212)273)176(301)239-122(51-60-149(211)272)171(296)229-112(26)168(293)247-141(87-115-91-221-96-226-115)192(317)259-145(94-269)196(321)255-143(89-152(214)275)193(318)238-120(47-39-73-224-207(217)218)173(298)236-118(45-36-37-71-209)175(300)249-134(80-99(6)7)186(311)245-131(70-78-333-29)181(306)242-129(58-67-157(284)285)183(308)262-162(107(21)31-2)201(326)264-163(205(330)331)108(22)32-3/h33-35,43-44,91-92,96-113,117-148,160-164,268-271H,30-32,36-42,45-90,93-95,209-210H2,1-29H3,(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H,221,226)(H,222,227)(H,228,295)(H,229,296)(H,230,297)(H,231,309)(H,232,290)(H,233,292)(H,234,291)(H,235,294)(H,236,298)(H,237,310)(H,238,318)(H,239,301)(H,240,302)(H,241,299)(H,242,306)(H,243,312)(H,244,303)(H,245,311)(H,246,304)(H,247,293)(H,248,305)(H,249,300)(H,250,313)(H,251,316)(H,252,319)(H,253,322)(H,254,315)(H,255,321)(H,256,314)(H,257,324)(H,258,327)(H,259,317)(H,260,325)(H,261,307)(H,262,308)(H,263,323)(H,264,326)(H,265,320)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,330,331)(H4,215,216,223)(H4,217,218,224)(H4,219,220,225)/t106-,107-,108-,109-,110-,111-,112-,113+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,160-,161-,162-,163-,164-/m0/s1" . "CCOC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2" . "CCOC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2" . "OGQICQVSFDPSEI-UHFFFAOYSA-N" . "InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3" . "NCCc1ccc(cc1)Oc1ccc(c(c1)I)O" . "NCCc1ccc(cc1)Oc1ccc(c(c1)I)O" . "HCYGDNGLWSZCCA-UHFFFAOYSA-N" . "InChI=1S/C14H14INO2/c15-13-9-12(5-6-14(13)17)18-11-3-1-10(2-4-11)7-8-16/h1-6,9,17H,7-8,16H2" . "OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "OC(=O)[C@@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "XUIIKFGFIJCVMT-GFCCVEGCSA-N" . "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1c[nH]cn1)Cc1ccccc1)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1c[nH]cn1)Cc1ccccc1)CCCNC(=N)N" . "ZOEFCCMDUURGSE-CQVUSSRSSA-N" . "InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86?,88-,89-,90+,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,109+,110+,111+/m1/s1" . "FC(Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl)F" . "FC(Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl)F" . "MNDBXUUTURYVHR-UHFFFAOYSA-N" . "InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)" . "OC(=O)c1cccc(c1)c1cccc(c1O)NN=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C" . "OC(=O)c1cccc(c1)c1cccc(c1O)N/N=C/1/C(=NN(C1=O)c1ccc(c(c1)C)C)C" . "XDXWLKQMMKQXPV-QYQHSDTDSA-N" . "InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22-" . "COc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2" . "COc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2" . "XRCFXMGQEVUZFC-UHFFFAOYSA-N" . "InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3" . "C#CC1(O)CCC2C1(C)CCC1C2CCC2=Cc3c(CC12C)cno3" . "C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cno3" . "POZRVZJJTULAOH-LHZXLZLDSA-N" . "InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1" . "CN(CCC1CCc2c(C1)ccc(c2)OCc1ccc(cc1)c1ccccc1)C" . "CN(CC[C@@H]1CCc2c(C1)ccc(c2)OCc1ccc(cc1)c1ccccc1)C" . "SETMAZMOXYOEJA-NRFANRHFSA-N" . "InChI=1S/C27H31NO/c1-28(2)17-16-21-8-13-26-19-27(15-14-25(26)18-21)29-20-22-9-11-24(12-10-22)23-6-4-3-5-7-23/h3-7,9-12,14-15,19,21H,8,13,16-18,20H2,1-2H3/t21-/m0/s1" . "Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2" . "Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2" . "ADXGNEYLLLSOAR-UHFFFAOYSA-N" . "InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCNC(=N)N)C)CCCNC(=N)N)C)CCCNC(=N)N)CCC(=O)O)CCC(=O)N)CC(=O)N)CO)CCC(=O)O)CCC(=O)N)CCC(=O)N)CCCNC(=N)N)CO)CCSC)[C@H](CC)C)CC(=O)O)CCC(=O)N)CC(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C/C=C/CC)C)CC(=O)O)C)Cc1ccccc1)CC(=O)N)CO)Cc1ccc(cc1)O)CCCNC(=N)N)CCCCN)CC(C)C)CCC(=O)N)CC(C)C)CO)C)CCCNC(=N)N" . "CC/C=C/CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N" . "QBEPNUQJQWDYKU-BMGKTWPMSA-N" . "InChI=1S/C221H366N72O67S/c1-25-28-30-53-163(308)260-145(92-120-54-58-122(299)59-55-120)198(343)255-116(21)179(324)276-150(96-169(316)317)199(344)256-117(22)180(325)291-172(111(16)26-2)214(359)284-147(91-119-43-31-29-32-44-119)206(351)293-174(118(23)298)215(360)285-149(95-162(230)307)205(350)289-155(104-297)210(355)280-146(93-121-56-60-123(300)61-57-121)203(348)267-130(51-41-83-248-220(240)241)186(331)266-126(46-34-36-78-223)197(342)290-171(110(14)15)212(357)283-141(87-106(6)7)183(328)252-100-166(311)258-133(63-70-157(225)302)190(335)278-144(90-109(12)13)202(347)288-152(101-294)208(353)257-115(20)178(323)262-128(49-39-81-246-218(236)237)185(330)265-125(45-33-35-77-222)189(334)277-143(89-108(10)11)201(346)279-142(88-107(8)9)200(345)272-137(66-73-160(228)305)195(340)282-151(97-170(318)319)207(352)292-173(112(17)27-3)213(358)274-139(76-85-361-24)196(341)287-153(102-295)209(354)268-131(52-42-84-249-221(242)243)187(332)270-135(64-71-158(226)303)192(337)269-132(62-69-156(224)301)182(327)251-99-165(310)259-134(67-74-167(312)313)191(336)286-154(103-296)211(356)281-148(94-161(229)306)204(349)273-136(65-72-159(227)304)193(338)271-138(68-75-168(314)315)194(339)264-124(47-37-79-244-216(232)233)181(326)250-98-164(309)253-113(18)176(321)261-127(48-38-80-245-217(234)235)184(329)254-114(19)177(322)263-129(50-40-82-247-219(238)239)188(333)275-140(175(231)320)86-105(4)5/h28-32,43-44,54-61,105-118,124-155,171-174,294-300H,25-27,33-42,45-53,62-104,222-223H2,1-24H3,(H2,224,301)(H2,225,302)(H2,226,303)(H2,227,304)(H2,228,305)(H2,229,306)(H2,230,307)(H2,231,320)(H,250,326)(H,251,327)(H,252,328)(H,253,309)(H,254,329)(H,255,343)(H,256,344)(H,257,353)(H,258,311)(H,259,310)(H,260,308)(H,261,321)(H,262,323)(H,263,322)(H,264,339)(H,265,330)(H,266,331)(H,267,348)(H,268,354)(H,269,337)(H,270,332)(H,271,338)(H,272,345)(H,273,349)(H,274,358)(H,275,333)(H,276,324)(H,277,334)(H,278,335)(H,279,346)(H,280,355)(H,281,356)(H,282,340)(H,283,357)(H,284,359)(H,285,360)(H,286,336)(H,287,341)(H,288,347)(H,289,350)(H,290,342)(H,291,325)(H,292,352)(H,293,351)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H4,232,233,244)(H4,234,235,245)(H4,236,237,246)(H4,238,239,247)(H4,240,241,248)(H4,242,243,249)/b30-28+/t111-,112-,113-,114-,115-,116-,117-,118+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,171-,172-,173-,174-/m0/s1" . "ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl" . "ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl" . "JWBOIMRXGHLCPP-UHFFFAOYSA-N" . "InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H" . "Oc1ccc(cc1)CC(C(=O)O)(N)C" . "Oc1ccc(cc1)C[C@@](C(=O)O)(N)C" . "NHTGHBARYWONDQ-JTQLQIEISA-N" . "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1" . "NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCC(=O)O)CCC(=O)O)Cc3ccccc3)[C@H](CC)C)Cc3ccc(cc3)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCC(=O)O)CCC(=O)O)CC(C)C)CO)CCC(=O)O)Cc2ccccc2)CCCNC(=N)N)CC(=O)N)CCC(=O)N)CC(=O)N)NC(=O)[C@H]2N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CCSC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCCNC(=N)N)[C@@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)C)CCSC)Cc1cnc[nH]1)CO)Cc1ccccc1)C)Cc1ccccc1)CCCCN)C)CC(=O)O)CC(=O)O)CCC2)CCCNC(=N)N)C)C)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@@H](O)C" . "CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N3)CC(=O)O)CC(=O)O)C)CCCCN)Cc3ccccc3)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)CCSC)CCCCN)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCC(=O)O)CC(=O)N)CCC(=O)N)CC(=O)N)CCCNC(=N)N)Cc2ccccc2)CCC(=O)O)CO)CC(C)C)CCC(=O)O)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1ccccc1)CCC(=O)O)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)[C@H](C)O)Cc1ccccc1)[C@@H](C)CC)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2ccccc12)CCCNC(=N)N)Cc1cnc[nH]1)C)C)CCCNC(=N)N)Cc1ccc(cc1)O" . "VBGWSQKGUZHFPS-VGMMZINCSA-N" . "COc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C" . "COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C" . "MKXZASYAUGDDCJ-NJAFHUGGSA-N" . "InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1" . "NCCc1ccccc1" . "NCCc1ccccc1" . "BHHGXPLMPWCGHP-UHFFFAOYSA-N" . "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2" . "N#Cc1cc(F)cc(c1)n1nnc(n1)c1[nH]cc(n1)C" . "N#Cc1cc(F)cc(c1)n1nnc(n1)c1[nH]cc(n1)C" . "BKGULEDZLIMLMY-UHFFFAOYSA-N" . "InChI=1S/C12H8FN7/c1-7-6-15-11(16-7)12-17-19-20(18-12)10-3-8(5-14)2-9(13)4-10/h2-4,6H,1H3,(H,15,16)" . "COC(C(=O)NC(C(CNC1CC2(CCC2)Oc2c1cc(cn2)CC(C)(C)C)O)Cc1cccc(c1)c1nccs1)C" . "CO[C@@H](C(=O)N[C@H]([C@@H](CN[C@H]1CC2(CCC2)Oc2c1cc(cn2)CC(C)(C)C)O)Cc1cccc(c1)c1nccs1)C" . "IUSARDYWEPUTPN-OZBXUNDUSA-N" . "InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1" . "O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2O)C" . "O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "NPAGDVCDWIYMMC-IZPLOLCNSA-N" . "InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1" . "CCC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12" . "CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CCCC[C@H]12" . "AOXRBFRFYPMWLR-XGXHKTLJSA-N" . "InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1" . "CCC(=O)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC(C)C(=O)C2" . "CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@@H](C)C(=O)C2" . "NOTIQUSPUUHHEH-UXOVVSIBSA-N" . "InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1" . "COCC(C(F)(F)F)Oc1cc(CC2CS(=O)CC(C2O)NCc2cccc(c2)C(C)(C)C)cc(c1N)F" . "COC[C@H](C(F)(F)F)Oc1cc(C[C@@H]2C[S@@](=O)C[C@@H]([C@H]2O)NCc2cccc(c2)C(C)(C)C)cc(c1N)F" . "FIUDDEQHPBHZBI-XPLIUGCLSA-N" . "InChI=1S/C27H36F4N2O4S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-38(35)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)37-23(13-36-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+,38-/m1/s1" . "COc1cc(ccc1O)C(C(=O)O)O" . "COc1cc(ccc1O)C(C(=O)O)O" . "CGQCWMIAEPEHNQ-UHFFFAOYSA-N" . "InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)" . "CC#Cc1cncc(c1)c1cccc(c1)C1(N=C(c2c1cccc2F)N)c1cc(C)c(=O)n(c1)CC" . "CC#Cc1cncc(c1)c1cccc(c1)[C@]1(N=C(c2c1cccc2F)N)c1cc(C)c(=O)n(c1)CC" . "TUGLMYZSOPKJOA-PMERELPUSA-N" . "InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1" . "CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1" . "CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1" . "TYTGOXSAAQWLPJ-UHFFFAOYSA-N" . "InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)" . "C[N+](CC#CCOC1=NOCC1)(C)C" . "C[N+](CC#CCOC1=NOCC1)(C)C" . "WXXOCGISBCTWPW-UHFFFAOYSA-N" . "InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1" . "NC1=NC(CCS1)(C)c1cc(c2cncnc2)c(cc1F)F" . "NC1=N[C@](CCS1)(C)c1cc(c2cncnc2)c(cc1F)F" . "MJQMRGWYPNIERM-HNNXBMFYSA-N" . "InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1" . "FC(c1nccc(c1)C1(NC(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F" . "FC(c1nccc(c1)[C@@]1(NC(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F" . "QXKYWSDUVAJHNZ-CGAIIQECSA-N" . "InChI=1S/C24H18F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22-23,32H,28H2/t23?,24-/m0/s1" . "CN1CC2C(C1)N(CC2)c1ccc(cc1)c1ccc(cc1)n1ncccc1=O" . "CN1C[C@@H]2[C@H](C1)N(CC2)c1ccc(cc1)c1ccc(cc1)n1ncccc1=O" . "GNIRITULTPTAQW-KNQAVFIVSA-N" . "InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1" . "O=C(c1cc2c(s1)c(Cl)ccc2)NC1CN2CCC1CC2" . "O=C(c1cc2c(s1)c(Cl)ccc2)N[C@H]1CN2CCC1CC2" . "SSRDSYXGYPJKRR-ZDUSSCGKSA-N" . "InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1" . "CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)O" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)O" . "FJHBVJOVLFPMQE-QFIPXVFZSA-N" . "InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1" . "CCC(CCC=CCC=CCC=CCC=CCCCC(=O)O)O" . "CCC(CC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O" . "PPCHNRUZQWLEMF-XBOCNYGYSA-N" . "InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-" . "CCCCC(C=CCC=CCC=CCC=CCCCC(=O)O)O" . "CCCCC(/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O" . "JEKNPVYFNMZRJG-UFINWASNSA-N" . "InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-" . "OCCCCCCCCCCCC(=O)O" . "OCCCCCCCCCCCC(=O)O" . "ZDHCZVWCTKTBRY-UHFFFAOYSA-N" . "InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)" . "OC1CCC(=C)C(=CC=C2CCCC3(C2CCC3C(CCCC(O)(C)C)C)C)C1" . "O[C@H]1CCC(=C)/C(=C/C=C/2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1" . "JWUBBDSIWDLEOM-DTOXIADCSA-N" . "InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1" . "O=S(=O)(c1ccccc1)Nc1nnc(s1)S(=O)(=O)N" . "O=S(=O)(c1ccccc1)Nc1nnc(s1)S(=O)(=O)N" . "PWDGTQXZLNDOKS-UHFFFAOYSA-N" . "InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)" . "COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O" . "COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O" . "KQMVAGISDHMXJJ-UHFFFAOYSA-N" . "InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3" . "CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1cncc1)CC(C)C" . "CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1cncc1)CC(C)C" . "XTEOJPUYZWEXFI-UHFFFAOYSA-N" . "InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)" . "CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O" . "CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O" . "ZCAMCVJTCSXPMT-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O2/c1-3-4-8-19-14-23-21(22(25)26)24(19)15-17-10-12-18(13-11-17)20-9-6-5-7-16(20)2/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,25,26)" . "CCCC(N(C(=O)CC)Cc1ccc(cc1)c1ccccc1c1noc(=O)[nH]1)C(=O)O" . "CCC[C@H](N(C(=O)CC)Cc1ccc(cc1)c1ccccc1c1noc(=O)[nH]1)C(=O)O" . "FXELTRKWYHPHAE-IBGZPJMESA-N" . "InChI=1S/C23H25N3O5/c1-3-7-19(22(28)29)26(20(27)4-2)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)21-24-23(30)31-25-21/h5-6,8-13,19H,3-4,7,14H2,1-2H3,(H,28,29)(H,24,25,30)/t19-/m0/s1" . "CNCC(c1ccc(c(c1)OC)O)O" . "CNCC(c1ccc(c(c1)OC)O)O" . "JWJCTZKFYGDABJ-UHFFFAOYSA-N" . "InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3" . "C=CC(=O)N1CCCC(C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1" . "C=CC(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1" . "XYFPWWZEPKGCCK-GOSISDBHSA-N" . "InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1" . "CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-]" . "CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-]" . "BFASNXRKCVRLPK-UHFFFAOYSA-M" . "InChI=1S/C35H29N10.BrH.2Na/c1-2-3-12-33-32(21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34)36-23-45(33)22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35;;;/h4-11,13-20H,2-3,12,21-22H2,1H3;1H;;/q-1;;2*+1/p-1" . "CCCCCCC(C(=O)N1CC(CC1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O" . "CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O" . "HHFYOGBTLFTWQX-QTJGBDASSA-N" . "InChI=1S/C30H34N4O10S/c1-2-3-4-5-9-23(33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)45(41,42)43)28(36)34-16-21(15-24(34)30(39)40)44-20-13-11-19(12-14-20)29(37)38/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40)(H,41,42,43)/t21-,23+,24-/m0/s1" . "O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O" . "O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O" . "DOBMPNYZJYQDGZ-UHFFFAOYSA-N" . "InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N" . "OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N" . "WBXPDJSOTKVWSJ-CYBMUJFWSA-N" . "InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1" . "CCCCCCC(C(=O)N1CC(CC1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O" . "CCCCCC[C@@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O" . "HHFYOGBTLFTWQX-XWGVYQGASA-N" . "InChI=1S/C30H34N4O10S/c1-2-3-4-5-9-23(33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)45(41,42)43)28(36)34-16-21(15-24(34)30(39)40)44-20-13-11-19(12-14-20)29(37)38/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40)(H,41,42,43)/t21-,23-,24-/m0/s1" . "CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2" . "CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2" . "YOSHYTLCDANDAN-UHFFFAOYSA-N" . "InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O" . "HTQMVQVXFRQIKW-UHFFFAOYSA-N" . "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)" . "CNCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)C)Cc1[nH]cnc1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N" . "CNCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)C)Cc1[nH]cnc1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N" . "XIEWFECSPPTVQN-KMIMAYJXSA-N" . "InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25+,29-,30-,31-,32-,34-,35-/m0/s1" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O" . "KGSXMPPBFPAXLY-UHFFFAOYSA-N" . "InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)OCc1oc(=O)oc1C" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)OCc1oc(=O)oc1C" . "QJFSABGVXDWMIW-UHFFFAOYSA-N" . "InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)" . "CCc1nc(c(n1Cc1ccc2c(c1)c(Br)c(o2)c1ccccc1NS(=O)(=O)C(F)(F)F)C(=O)N)C1CC1" . "CCc1nc(c(n1Cc1ccc2c(c1)c(Br)c(o2)c1ccccc1NS(=O)(=O)C(F)(F)F)C(=O)N)C1CC1" . "DUEWVPTZCSAMNB-UHFFFAOYSA-N" . "InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)" . "CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC" . "CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC" . "YONOBYIBNBCDSJ-UHFFFAOYSA-N" . "InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)" . "CCc1nc2c(n1Cc1ccc(cc1)c1cc(ccc1S(=O)(=O)NC(=O)c1ccccc1)CC(C)C)nc(cc2C)C" . "CCc1nc2c(n1Cc1ccc(cc1)c1cc(ccc1S(=O)(=O)NC(=O)c1ccccc1)CC(C)C)nc(cc2C)C" . "BRUYKNQQCIYYNP-UHFFFAOYSA-N" . "InChI=1S/C34H36N4O3S/c1-6-31-36-32-23(4)19-24(5)35-33(32)38(31)21-25-12-15-27(16-13-25)29-20-26(18-22(2)3)14-17-30(29)42(40,41)37-34(39)28-10-8-7-9-11-28/h7-17,19-20,22H,6,18,21H2,1-5H3,(H,37,39)" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "CHCOFDZSJYMQMX-NOQNJSOHSA-N" . "InChI=1S/C49H71N13O10/c1-6-28(4)40(46(69)58-36(24-32-25-53-26-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)39(27(2)3)60-42(65)34(56-41(64)29(5)50)14-10-20-54-49(51)52/h7-9,12-13,16-19,25-29,34-40,63H,6,10-11,14-15,20-24,50H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,51,52,54)/t28-,29-,34-,35-,36-,37-,38-,39-,40-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N)CC(C)C " . "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O" . "WCJSVACAALWGRF-LQPYQXOBSA-N" . "InChI=1S/C39H61N11O7/c1-23(2)20-29(47-34(52)31-14-8-18-49(31)36(54)26(41)11-7-17-44-39(42)43)33(51)46-28(13-5-6-16-40)37(55)50-19-9-15-32(50)35(53)48-30(38(56)57)21-24-22-45-27-12-4-3-10-25(24)27/h3-4,10,12,22-23,26,28-32,45H,5-9,11,13-21,40-41H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,56,57)(H4,42,43,44)/t26-,28-,29-,30-,31-,32-/m0/s1" . "CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1" . "CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1" . "PJVWKTKQMONHTI-UHFFFAOYSA-N" . "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3" . "ONC(=O)CCCCCCC(=O)Nc1ccccc1" . "ONC(=O)CCCCCCC(=O)Nc1ccccc1" . "WAEXFXRVDQXREF-UHFFFAOYSA-N" . "InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)" . "COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1" . "COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1" . "JXLYSJRDGCGARV-CFWMRBGOSA-N" . "InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1" . "N#CC1=C(O)C2C3(C(C1)(C)C1CCC4(C(C1CC3)CCC4O)C)O2" . "N#CC1=C(O)[C@@H]2[C@]3([C@@](C1)(C)[C@H]1CC[C@]4([C@H]([C@@H]1CC3)CC[C@@H]4O)C)O2" . "KVJXBPDAXMEYOA-CXANFOAXSA-N" . "InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1" . "NS(=O)(=O)OCC12OCC3C(C2OC(O1)(C)C)OC(O3)(C)C" . "NS(=O)(=O)OC[C@]12OC[C@@H]3[C@H]([C@@H]2OC(O1)(C)C)OC(O3)(C)C" . "KJADKKWYZYXHBB-XBWDGYHZSA-N" . "InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1" . "CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C" . "CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C" . "JLRGJRBPOGGCBT-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)" . "O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1" . "O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1" . "OUDSBRTVNLOZBN-UHFFFAOYSA-N" . "InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)" . "Nc1nc(=S)c2c([nH]1)nc[nH]2" . "Nc1nc(=S)c2c([nH]1)nc[nH]2" . "WYWHKKSPHMUBEB-UHFFFAOYSA-N" . "InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)" . "N#CC(=C(O)C)C(=O)Nc1ccc(cc1)C(F)(F)F" . "N#C/C(=C(/O)/C)/C(=O)Nc1ccc(cc1)C(F)(F)F" . "UTNUDOFZCWSZMS-YFHOEESVSA-N" . "InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-" . "COCCCN1CC(NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N" . "COCCCN1C[C@H](NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N" . "HCRKCZRJWPKOAR-JTQLQIEISA-N" . "InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1" . "COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)c1cccs1" . "COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)c1cccs1" . "NRUKOCRGYNPUPR-QBPJDGROSA-N" . "InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1" . "OCC1OC(C(C1O)O)n1cnc(n1)C(=O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N" . "IWUCXVSUMQZMFG-AFCXAGJDSA-N" . "InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1" . "CCOc1cc(ccc1C(=O)O)CC(=O)NC(c1ccccc1N1CCCCC1)CC(C)C" . "CCOc1cc(ccc1C(=O)O)CC(=O)N[C@H](c1ccccc1N1CCCCC1)CC(C)C" . "FAEKWTJYAYMJKF-QHCPKHFHSA-N" . "InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1" . "C#CCC(c1ccc(cc1)C(=O)NC(C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N" . "C#CCC(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N" . "OGSBUKJUDHAQEA-WMCAAGNKSA-N" . "InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1" . "CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1" . "CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1" . "DQDAYGNAKTZFIW-UHFFFAOYSA-N" . "InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3" . "O=C1C(c2ccccc2)C(=O)c2c1cccc2" . "O=C1C(c2ccccc2)C(=O)c2c1cccc2" . "NFBAXHOPROOJAW-UHFFFAOYSA-N" . "InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H" . "COCCOC(=O)NC(C(=O)NCCCCCCCOP(=O)(O)C)CCCCNC(=O)OCCOC" . "COCCOC(=O)N[C@H](C(=O)NCCCCCCCOP(=O)(O)C)CCCCNC(=O)OCCOC" . "WLCZTRVUXYALDD-IBGZPJMESA-N" . "InChI=1S/C22H44N3O10P/c1-31-15-17-33-21(27)24-13-9-7-11-19(25-22(28)34-18-16-32-2)20(26)23-12-8-5-4-6-10-14-35-36(3,29)30/h19H,4-18H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)/t19-/m0/s1" . "O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N" . "N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O" . "YPZRWBKMTBYPTK-BJDJZHNGSA-N" . "InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1" . "O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F" . "O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F" . "OUBCNLGXQFSTLU-UHFFFAOYSA-N" . "InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2" . "CC(C1CCC(CC1)C(=O)NC(C(=O)O)Cc1ccccc1)C" . "CC([C@@H]1CC[C@H](CC1)C(=O)N[C@@H](C(=O)O)Cc1ccccc1)C" . "OELFLUMRDSZNSF-BRWVUGGUSA-N" . "InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1" . "COc1c(CC=C(CCC(=O)O)C)c(O)c2c(c1C)COC2=O" . "COc1c(C/C=C(/CCC(=O)O)/C)c(O)c2c(c1C)COC2=O" . "HPNSFSBZBAHARI-RUDMXATFSA-N" . "InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+" . "COc1c(CC=C(CCC(=O)OCCN2CCOCC2)C)c(O)c2c(c1C)COC2=O" . "COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)/C)c(O)c2c(c1C)COC2=O" . "RTGDFNSFWBGLEC-SYZQJQIISA-N" . "InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+" . "Oc1ccc(cc1)OCc1ccccc1" . "Oc1ccc(cc1)OCc1ccccc1" . "VYQNWZOUAUKGHI-UHFFFAOYSA-N" . "InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2" . "COc1ccccc1OCC(COC(=O)N)O" . "COc1ccccc1OCC(COC(=O)N)O" . "GNXFOGHNGIVQEH-UHFFFAOYSA-N" . "InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)" . "CC(=O)N=c1sc(nn1C)S(=O)(=O)N" . "CC(=O)N=c1sc(nn1C)S(=O)(=O)N" . "FLOSMHQXBMRNHR-UHFFFAOYSA-N" . "InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)" . "COc1ccc(cc1)O" . "COc1ccc(cc1)O" . "NWVVVBRKAWDGAB-UHFFFAOYSA-N" . "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" . "CCC(N1CCCC1=O)C(=O)N" . "CC[C@H](N1CCCC1=O)C(=O)N" . "HPHUVLMMVZITSG-LURJTMIESA-N" . "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1" . "O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F" . "O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F" . "VHOGYURTWQBHIL-UHFFFAOYSA-N" . "InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)" . "O=C1NC(CC2OC2(C)CCCC(C(C(C(=O)C(C(C1)O)(C)C)C)O)C)C(=Cc1csc(n1)C)C" . "O=C1N[C@@H](C[C@@H]2O[C@]2(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/c1csc(n1)C)/C" . "FABUFPQFXZVHFB-PVYNADRNSA-N" . "InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1" . "CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1" . "UWKQSNNFCGGAFS-XIFFEERXSA-N" . "InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1" . "NC(=O)NO" . "NC(=O)NO" . "VSNHCAURESNICA-UHFFFAOYSA-N" . "InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)" . "Cc1ncc(nc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1" . "Cc1ncc(nc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1" . "ZJJXGWJIGJFDTL-UHFFFAOYSA-N" . "InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)" . "CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCC(CC1)C" . "CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]1CC[C@H](CC1)C" . "WIGIZIANZCJQQY-RUCARUNLSA-N" . "InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-" . "OCCN(CC1CCC(CC1)CCN(C(=O)Oc1ccc(cc1)C(F)(F)F)C)CC" . "OCCN(C[C@@H]1CC[C@H](CC1)CCN(C(=O)Oc1ccc(cc1)C(F)(F)F)C)CC" . "MUXRZYNIEMIEAL-IYARVYRRSA-N" . "InChI=1S/C22H33F3N2O3/c1-3-27(14-15-28)16-18-6-4-17(5-7-18)12-13-26(2)21(29)30-20-10-8-19(9-11-20)22(23,24)25/h8-11,17-18,28H,3-7,12-16H2,1-2H3/t17-,18-" . "COC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)O)OC1OC(C(=O)O)C(C(C1OS(=O)(=O)O)O)OC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)OS(=O)(=O)O)OC1OC(C(=O)O)C(C(C1O)O)OC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)O)O" . "CO[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)O)O[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)O)O" . "KANJSNBRCNMZMV-ABRZTLGGSA-N" . "InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1" . "O=C1C=CC2(C(N1)CCC1C2CCC2(C1CCC2C(=O)NC(C)(C)C)C)C" . "O=C1C=C[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)NC(C)(C)C)C)C" . "DBEPLOCGEIEOCV-WSBQPABSSA-N" . "InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1" . "N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C" . "N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C" . "BQSJTQLCZDPROO-UHFFFAOYSA-N" . "InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)" . "Oc1ccc(cc1)C1C(CCC(c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F" . "Oc1ccc(cc1)[C@@H]1[C@@H](CC[C@@H](c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F" . "OLNTVTPDXPETLC-XPWALMASSA-N" . "InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1" . "COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C" . "COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C" . "VJJPUSNTGOMMGY-MRVIYFEKSA-N" . "InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1" . "CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N" . "CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N" . "OUZWUKMCLIBBOG-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)" . "OCC1OC(C(C1O)O)n1cnc(nc1=O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N" . "NMUSYJAQQFHJEW-KVTDHHQDSA-N" . "InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1" . "O=c1ncnc2c1c[nH][nH]2" . "O=c1ncnc2c1c[nH][nH]2" . "OFCNXPDARWKPPY-UHFFFAOYSA-N" . "InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)" . "NCC(CC1OC2C(C1OC)CC(=O)CC1CCC3C(O1)C1OC4(CCC5OC(CCC6OC(C2)C(=C)C(C6)C)C(=C)C5)OC2C(O3)C1OC2C4)O" . "NC[C@H](C[C@H]1O[C@@H]2[C@@H]([C@H]1OC)CC(=O)C[C@H]1CC[C@H]3[C@H](O1)[C@@H]1O[C@]4(CC[C@@H]5O[C@@H](CC[C@@H]6O[C@H](C2)C(=C)[C@@H](C6)C)C(=C)C5)O[C@@H]2[C@H](O3)[C@H]1O[C@@H]2C4)O" . "UFNVPOGXISZXJD-JBQZKEIOSA-N" . "InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1" . "CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N" . "CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N" . "WXCXUHSOUPDCQV-UHFFFAOYSA-N" . "InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)" . "OCC1OC(OC2C(OC(C(C2O)OS(=O)(=O)O)OC2C(COS(=O)(=O)O)OC(C(C2O)NC(=O)C)O)C(=O)O)C(C(C1OC1OC(C(=O)O)C(C(C1OS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O" . "OCC1OC(OC2C(OC(C(C2O)OS(=O)(=O)O)OC2C(COS(=O)(=O)O)OC(C(C2O)NC(=O)C)O)C(=O)O)C(C(C1OC1OC(C(=O)O)C(C(C1OS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O" . "HTTJABKRGRZYRN-UHFFFAOYSA-N" . "InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)" . "CCNC1CC(C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N" . "CCN[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N" . "IAVUPMFITXYVAF-XPUUQOCRSA-N" . "InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1" . "CC(=O)OC12COC1CC(C1(C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(C(c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)C(C1=O)O)C)C)O" . "CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O" . "ZDZOTLJHXYCWBA-VCVYQWHSSA-N" . "InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1" . "OCC1OC(OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CC(O)C3(C2(O)CCC3C2=CC(=O)OC2)C)C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O" . "OBATZBGFDSVCJD-LALPQLPRSA-N" . "InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1" . "OCC1OC(CC1O)n1cnc(nc1=O)N" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc(nc1=O)N" . "XAUDJQYHKZQPEU-KVQBGUIXSA-N" . "InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1" . "OCC1OC(C(C1O)F)n1cnc2c1nc(Cl)nc2N" . "OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n1cnc2c1nc(Cl)nc2N" . "WDDPHFBMKLOVOX-AYQXTPAHSA-N" . "InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1" . "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1" . "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1" . "RKWGIWYCVPQPMF-UHFFFAOYSA-N" . "InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)" . "ClCCNC(=O)N(CCCl)N=O" . "ClCCNC(=O)N(CCCl)N=O" . "DLGOEMSEDOSKAD-UHFFFAOYSA-N" . "InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)" . "CCCCCOC(=O)Nc1nc(=O)n(cc1F)C1OC(C(C1O)O)C" . "CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C" . "GAGWJHPBXLXJQN-UORFTKCHSA-N" . "InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1" . "COC1C(=O)C2(C)C(OC)CC3C(C2C(C2(C(C1=C(C)C(OC(=O)C(C(c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C" . "CO[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C" . "BMQGVNUXMIRLCK-OAGWZNDDSA-N" . "InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1" . "CC(=O)OC1CC(OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CCC3C2=CC(=O)OC2)C)C)OC(C1O)C" . "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@H]1O)C" . "HPMZBILYSWLILX-UMDUKNJSSA-N" . "InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1" . "O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1" . "O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1" . "VGZSUPCWNCWDAN-UHFFFAOYSA-N" . "InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)" . "CC(=O)Nc1nnc(s1)S(=O)(=O)N" . "CC(=O)Nc1nnc(s1)S(=O)(=O)N" . "BZKPWHYZMXOIDC-UHFFFAOYSA-N" . "InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)" . "OCC1OC(OC2C(CO)OC(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)NC1C=C(CO)C(C(C1O)O)O)O)O" . "OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O)O)O" . "XUFXOAAUWZOOIT-SXARVLRPSA-N" . "InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1" . "CCCN(CCCC#CC1CCC(CC1)N(C(=O)Oc1ccc(cc1)Cl)C)C" . "CCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)C" . "FXHALLFKKHHPNQ-XUTJKUGGSA-N" . "InChI=1S/C23H33ClN2O2/c1-4-17-25(2)18-7-5-6-8-19-9-13-21(14-10-19)26(3)23(27)28-22-15-11-20(24)12-16-22/h11-12,15-16,19,21H,4-5,7,9-10,13-14,17-18H2,1-3H3/t19-,21-" . "O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC" . "O=CN1c2cc(OC)c(cc2[C@]23[C@@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3N(CC2)CC=C1)CC)[C@]1(C[C@@H]2CN(CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC" . "OGWKCGZFUXNPDA-XQKSVPLYSA-N" . "InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1" . "C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)O)C)CCCC2" . "C=CC[C@@H]1/C=C(/C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2" . "QJJXYPPXXYFBGM-LFZNUXCKSA-N" . "InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1" . "CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)Cl)C)CCCC2" . "CC[C@@H]1/C=C(/C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@@H]([C@@H](C1)OC)Cl)/C)CCCC2" . "KASDHRXLYQOAKZ-XDSKOBMDSA-N" . "InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1" . "O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O" . "O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O" . "WDJUZGPOPHTGOT-XUDUSOBPSA-N" . "InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1" . "CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "MNBKLUUYKPBKDU-BBECNAHFSA-N" . "InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1" . "O=C(C1CCCN(C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1ccc(cc1)Cl" . "O=C(C1CCCN(C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1ccc(cc1)Cl" . "MOQCFMZWVKQBAP-UHFFFAOYSA-N" . "InChI=1S/C21H17ClF6N2O2/c22-16-3-5-17(6-4-16)29-18(31)12-2-1-7-30(11-12)19(32)13-8-14(20(23,24)25)10-15(9-13)21(26,27)28/h3-6,8-10,12H,1-2,7,11H2,(H,29,31)" . "Clc1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)c1cccc(c1)c1ccco1" . "Clc1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)c1cccc(c1)c1ccco1" . "HERLZBNILRVHQN-UHFFFAOYSA-N" . "InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)" . "Clc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "Clc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "VBZKJHSBGYDJAN-UHFFFAOYSA-N" . "InChI=1S/C21H13ClF6N2O3S/c22-15-3-1-12(2-4-15)19(31)29-16-5-7-18(8-6-16)34(32,33)30-17-10-13(20(23,24)25)9-14(11-17)21(26,27)28/h1-11,30H,(H,29,31)" . "O=C(C(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1ccc(cc1)Cl" . "O=C(C(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1ccc(cc1)Cl" . "DSMXVSGJIDFLKP-UHFFFAOYSA-N" . "InChI=1S/C18H13ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9H,1H3,(H,26,28)(H,27,29)" . "OC1CCC2(C(=CCC3C2CCC2(C3CC=C2c2cccnc2)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C" . "GZOSMCIZMLWJML-VJLLXTKPSA-N" . "InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1" . "COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1cccc(c1)OC(C(=O)O)C" . "COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1cccc(c1)O[C@H](C(=O)O)C" . "OFCWBJAYEIROGZ-KRWDZBQOSA-N" . "InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1" . "COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1ccccc1OC(C(=O)O)C" . "COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1ccccc1O[C@H](C(=O)O)C" . "BWTOBMCYVACNJZ-KRWDZBQOSA-N" . "InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1" . "CCC(c1nc2cccc(c2c(=O)n1c1ccccc1)F)Nc1ncnc2c1[nH]cn2" . "CC[C@@H](c1nc2cccc(c2c(=O)n1c1ccccc1)F)Nc1ncnc2c1[nH]cn2" . "IFSDAJWBUCMOAH-HNNXBMFYSA-N" . "InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1" . "Fc1cc(CC(=O)N2CCc3c2ccc(c3)c2cn(c3c2c(N)ncn3)C)cc(c1)C(F)(F)F" . "Fc1cc(CC(=O)N2CCc3c2ccc(c3)c2cn(c3c2c(N)ncn3)C)cc(c1)C(F)(F)F" . "PXVQGBJMIQCDEX-UHFFFAOYSA-N" . "InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31)" . "COc1cc(cc(c1O)[N+](=O)[O-])C(P(=O)(CCC(C(=O)O)N)O)O" . "COc1cc(cc(c1O)[N+](=O)[O-])C(P(=O)(CC[C@@H](C(=O)O)N)O)O" . "PEXVMHLARUAHNC-KAJCPDDVSA-N" . "InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)/t7-,12?/m0/s1" . "SCCC(CCCCC(=O)O)S" . "SCCC(CCCCC(=O)O)S" . "IZFHEQBZOYJLPK-UHFFFAOYSA-N" . "InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)" . "SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N" . "SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N" . "RWSXRVCMGQZWBV-WDSKDSINSA-N" . "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1" . "COC(=O)c1sc(cc1NC(=O)C=CC(=O)O)c1cccs1" . "COC(=O)c1sc(cc1NC(=O)/C=C/C(=O)O)c1cccs1" . "GJODSFZNKNHKML-SNAWJCMRSA-N" . "InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+" . "CCc1c(c2ccccc2)c(nn1c1ccccc1c1cccc(c1)OCC(=O)O)c1ccccc1" . "CCc1c(c2ccccc2)c(nn1c1ccccc1c1cccc(c1)OCC(=O)O)c1ccccc1" . "SJRVJRYZAQYCEE-UHFFFAOYSA-N" . "InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC1CCCCC1.Cl.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC1CCCCC1.Cl.Cl" . "ZFNNBIMQDHBELV-UHFFFAOYSA-N" . "InChI=1S/C40H53N5O3.2ClH/c1-6-7-21-45-38-32(19-12-20-42-38)35(29-17-11-18-31(23-29)48-22-13-16-28-14-9-8-10-15-28)37(39(45)46)44-40(47)43-36-33(26(2)3)24-30(41)25-34(36)27(4)5;;/h11-12,17-20,23-28H,6-10,13-16,21-22,41H2,1-5H3,(H2,43,44,47);2*1H" . "NCC(c1ccc(c(c1)OC)O)O" . "NCC(c1ccc(c(c1)OC)O)O" . "YNYAYWLBAHXHLL-UHFFFAOYSA-N" . "InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCN1CCCC1.Cl.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCN1CCCC1.Cl.Cl" . "YRTFLDFDKPFNCJ-UHFFFAOYSA-N" . "InChI=1S/C38H50N6O3.2ClH/c1-6-7-20-44-36-30(15-11-16-40-36)33(27-13-10-14-29(22-27)47-21-12-19-43-17-8-9-18-43)35(37(44)45)42-38(46)41-34-31(25(2)3)23-28(39)24-32(34)26(4)5;;/h10-11,13-16,22-26H,6-9,12,17-21,39H2,1-5H3,(H2,41,42,46);2*1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC(C)C" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC(C)C" . "PRCCYAKPEIWHCQ-UHFFFAOYSA-N" . "InChI=1S/C37H49N5O3/c1-8-9-18-42-35-29(16-11-17-39-35)32(26-14-10-15-28(20-26)45-19-12-13-23(2)3)34(36(42)43)41-37(44)40-33-30(24(4)5)21-27(38)22-31(33)25(6)7/h10-11,14-17,20-25H,8-9,12-13,18-19,38H2,1-7H3,(H2,40,41,44)" . "OCCOc1cccc(c1)c1c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(=O)n(c2c1cccn2)CCCC.Cl" . "OCCOc1cccc(c1)c1c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(=O)n(c2c1cccn2)CCCC.Cl" . "MXPCZHSTOIKVST-UHFFFAOYSA-N" . "InChI=1S/C33H41N5O4.ClH/c1-6-7-16-38-31-25(12-9-15-35-31)28(22-10-8-11-23(19-22)42-18-17-39)30(32(38)40)37-33(41)36-29-24(20(2)3)13-14-26(34)27(29)21(4)5;/h8-15,19-21,39H,6-7,16-18,34H2,1-5H3,(H2,36,37,41);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO.Cl" . "OXTVBHDILDPYAS-UHFFFAOYSA-N" . "InChI=1S/C35H45N5O4.ClH/c1-6-7-15-40-33-27(13-9-14-37-33)30(25-11-8-12-26(20-25)44-17-10-16-41)32(34(40)42)39-35(43)38-31-28(22(2)3)18-24(21-36)19-29(31)23(4)5;/h8-9,11-14,18-20,22-23,41H,6-7,10,15-17,21,36H2,1-5H3,(H2,38,39,43);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO" . "HNRUUMLUBDTZHX-UHFFFAOYSA-N" . "InChI=1S/C34H43N5O4/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42)" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "YCGQPIRMLGEWMW-UHFFFAOYSA-N" . "InChI=1S/C35H45N5O3.ClH/c1-9-10-17-40-33-27(15-12-16-36-33)30(25-13-11-14-26(20-25)43-8)32(34(40)41)38-35(42)37-31-28(22(2)3)18-24(21-39(6)7)19-29(31)23(4)5;/h11-16,18-20,22-23H,9-10,17,21H2,1-8H3,(H2,37,38,42);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "SZCBDIVMCGFVPW-UHFFFAOYSA-N" . "InChI=1S/C33H41N5O3.ClH/c1-7-8-15-38-31-25(13-10-14-35-31)28(23-11-9-12-24(18-23)41-6)30(32(38)39)37-33(40)36-29-26(20(2)3)16-22(19-34)17-27(29)21(4)5;/h9-14,16-18,20-21H,7-8,15,19,34H2,1-6H3,(H2,36,37,40);1H" . "CCCCn1c(=O)c(NC(=O)NC2=C(C=CNC2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)NC2=C(C=CNC2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "UXCQVIIRKWYPHK-UHFFFAOYSA-N" . "InChI=1S/C31H39N5O3.ClH/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5;/h9-16,18-20,26,32H,7-8,17H2,1-6H3,(H2,34,35,38);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "NPAVKCDQHSYXFT-UHFFFAOYSA-N" . "InChI=1S/C32H39N5O3.ClH/c1-7-8-15-37-30-24(13-10-14-34-30)27(21-11-9-12-23(16-21)40-6)29(31(37)38)36-32(39)35-28-25(19(2)3)17-22(33)18-26(28)20(4)5;/h9-14,16-20H,7-8,15,33H2,1-6H3,(H2,35,36,39);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "HALGUFCFUQNPBN-UHFFFAOYSA-N" . "InChI=1S/C32H39N5O3.ClH/c1-7-8-17-37-30-24(13-10-16-34-30)27(21-11-9-12-22(18-21)40-6)29(31(37)38)36-32(39)35-28-23(19(2)3)14-15-25(33)26(28)20(4)5;/h9-16,18-20H,7-8,17,33H2,1-6H3,(H2,35,36,39);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC" . "CCCCn1c(=O)c(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC" . "ORFMGXFFDRWECM-UHFFFAOYSA-N" . "InChI=1S/C32H38N4O3/c1-7-8-18-36-30-26(16-11-17-33-30)27(22-12-9-13-23(19-22)39-6)29(31(36)37)35-32(38)34-28-24(20(2)3)14-10-15-25(28)21(4)5/h9-17,19-21H,7-8,18H2,1-6H3,(H2,34,35,38)" . "CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)CC#Cc1ccccc1" . "CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)CC#Cc1ccccc1" . "GZVZWBOHPHLQFU-UHFFFAOYSA-N" . "InChI=1S/C27H25NOS2/c1-2-28(14-7-11-22-8-4-3-5-9-22)18-23-10-6-12-26(16-23)29-19-27-17-25(21-31-27)24-13-15-30-20-24/h3-6,8-10,12-13,15-17,20-21H,2,14,18-19H2,1H3" . "NCCc1ccc(c(c1)OC)O" . "NCCc1ccc(c(c1)OC)O" . "DIVQKHQLANKJQO-UHFFFAOYSA-N" . "InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3" . "CC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)CCCSCCC=C(C)C" . "C/C(=C/CCC=C(CC/C=C(/CCC1OC1(C)C)/C)C)/CCCSCCC=C(C)C" . "SFOVLQYHQCMFTD-VLUDVKJZSA-N" . "InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14?,25-15+,26-17+" . "CC(CCC=C(C)C)SCCC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)C" . "CC(CCC=C(C)C)SCC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)/C)/C)/C" . "CRZHANPLXOIADK-YNWRIEOZSA-N" . "InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+" . "CC=CCCC(=CCCC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)C)CC=C" . "C/C=C/CC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)/C)/C)/C)/CC=C" . "DOTTUEYUTNVWMJ-KSTFQPQISA-N" . "InChI=1S/C31H50O/c1-8-10-11-22-29(16-9-2)23-15-21-27(4)18-13-12-17-26(3)19-14-20-28(5)24-25-30-31(6,7)32-30/h8-10,17-18,20,23,30H,2,11-16,19,21-22,24-25H2,1,3-7H3/b10-8-,26-17+,27-18+,28-20+,29-23-" . "OCCN(CCCCCC1CCC(CC1)N(S(=O)(=O)c1ccc(cc1)C(F)(F)F)C)C" . "OCCN(CCCCC[C@@H]1CC[C@H](CC1)N(S(=O)(=O)c1ccc(cc1)C(F)(F)F)C)C" . "YPKPOCIBCOOAFB-KESTWPANSA-N" . "InChI=1S/C22H35F3N2O3S/c1-26(16-17-28)15-5-3-4-6-18-7-11-20(12-8-18)27(2)31(29,30)21-13-9-19(10-14-21)22(23,24)25/h9-10,13-14,18,20,28H,3-8,11-12,15-17H2,1-2H3/t18-,20-" . "OC1CCN(CC1)C(=O)C1CCC(CC1)CCN(C(=O)Oc1ccc(cc1)Cl)C" . "OC1CCN(CC1)C(=O)[C@@H]1CC[C@H](CC1)CCN(C(=O)Oc1ccc(cc1)Cl)C" . "PAHWPIPXJDOVHD-QAQDUYKDSA-N" . "InChI=1S/C22H31ClN2O4/c1-24(22(28)29-20-8-6-18(23)7-9-20)13-10-16-2-4-17(5-3-16)21(27)25-14-11-19(26)12-15-25/h6-9,16-17,19,26H,2-5,10-15H2,1H3/t16-,17-" . "C=CCN(CCCCCC1CCC(CC1)N(C(=O)Oc1ccc(cc1)C(F)(F)F)C)C" . "C=CCN(CCCCC[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)C(F)(F)F)C)C" . "QTPDFYJYCCDNKD-XUTJKUGGSA-N" . "InChI=1S/C24H35F3N2O2/c1-4-17-28(2)18-7-5-6-8-19-9-13-21(14-10-19)29(3)23(30)31-22-15-11-20(12-16-22)24(25,26)27/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-" . "OCCN(CCCC#CC1CCC(CC1)N(C(=O)Oc1ccc(cc1)Cl)C)CC" . "OCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)CC" . "UBLUCOHGNHINJX-XUTJKUGGSA-N" . "InChI=1S/C23H33ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-4,6,8-9,12-13,16-18H2,1-2H3/t19-,21-" . "C=CCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)C" . "C=CCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)C" . "PDHRIPJKNGUCJP-UHFFFAOYSA-N" . "InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3" . "OCCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)CC" . "OCCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)CC" . "XHOKJNHLSGAYJL-UHFFFAOYSA-N" . "InChI=1S/C21H25BrN2O2S/c1-2-24(12-13-25)11-3-4-14-26-18-9-10-19-20(15-18)27-23-21(19)16-5-7-17(22)8-6-16/h5-10,15,25H,2-4,11-14H2,1H3" . "C=CCN(CCCCCCOc1ccc(c(c1)F)C(=O)c1ccc(cc1)Br)C" . "C=CCN(CCCCCCOc1ccc(c(c1)F)C(=O)c1ccc(cc1)Br)C" . "CMYCCJYVZIMDFU-UHFFFAOYSA-N" . "InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3" . "C=CCN(Cc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Br)C.Cl" . "C=CCN(Cc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Br)C.Cl" . "MCMDJJBPNGLKKM-UHFFFAOYSA-N" . "InChI=1S/C24H22BrNO.ClH/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22;/h3-15H,1,16-17H2,2H3;1H" . "CCCCCCCCCCC1CCC2N(C1)CCCC2O" . "CCCCCCCCCC[C@@H]1CC[C@@H]2N(C1)CCC[C@H]2O" . "ASQOQJYHIYYTEJ-CEXWTWQISA-N" . "InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18+,19-/m1/s1" . "CCCCCCCCCCC1CCC2N(C1)CCCC2O" . "CCCCCCCCCC[C@H]1CC[C@@H]2N(C1)CCC[C@H]2O" . "ASQOQJYHIYYTEJ-GBESFXJTSA-N" . "InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18-,19+/m0/s1" . "OC(=O)COc1ccc(cc1)C(P(=O)(CCC(C(=O)O)N)O)O" . "OC(=O)COc1ccc(cc1)C(P(=O)(CC[C@@H](C(=O)O)N)O)O" . "BGOFVWMHMQISHB-NKUHCKNESA-N" . "InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)/t10-,13?/m0/s1" . "OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1O" . "O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1O" . "CZBPKFICAYVHHM-JWQCQUIFSA-N" . "InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1" . "O=C(N1CCCC(C1)c1cccc(c1)OC(C(=O)O)(C)C)Cc1ccc(cc1)C(C)C" . "O=C(N1CCC[C@H](C1)c1cccc(c1)OC(C(=O)O)(C)C)Cc1ccc(cc1)C(C)C" . "OISHBINQIFNIPV-JOCHJYFZSA-N" . "InChI=1S/C26H33NO4/c1-18(2)20-12-10-19(11-13-20)15-24(28)27-14-6-8-22(17-27)21-7-5-9-23(16-21)31-26(3,4)25(29)30/h5,7,9-13,16,18,22H,6,8,14-15,17H2,1-4H3,(H,29,30)/t22-/m1/s1" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O)CC(C)C)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)C)C)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CCC(=O)O)CC(=O)N)CO " . "CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O" . "IPOOBASOJFKEAK-GTJGPZIJSA-N" . "InChI=1S/C76H128N24O23/c1-37(2)31-42(77)60(108)89-46(22-24-58(105)106)64(112)93-48(34-57(79)104)66(114)95-50(35-101)67(115)96-51(36-102)72(120)98-28-12-18-53(98)69(117)91-45(21-23-56(78)103)61(109)87-41(8)70(118)97-27-11-17-52(97)68(116)86-40(7)59(107)88-43(15-9-25-84-75(80)81)62(110)90-44(16-10-26-85-76(82)83)63(111)92-47(32-38(3)4)65(113)94-49(33-39(5)6)71(119)99-29-13-19-54(99)73(121)100-30-14-20-55(100)74(122)123/h37-55,101-102H,9-36,77H2,1-8H3,(H2,78,103)(H2,79,104)(H,86,116)(H,87,109)(H,88,107)(H,89,108)(H,90,110)(H,91,117)(H,92,111)(H,93,112)(H,94,113)(H,95,114)(H,96,115)(H,105,106)(H,122,123)(H4,80,81,84)(H4,82,83,85)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1" . "OC(=O)CCC(Cc1ccc(cc1)OCc1ccccc1)NC(=O)CCCCCCc1ccccc1" . "OC(=O)CC[C@@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)CCCCCCc1ccccc1" . "KWLUIYFCMHKLKY-NDEPHWFRSA-N" . "InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1" . "O=C(C1CCC(CC1)C(C)(C)C)Nc1ccc(cc1)OC(=O)NN1CCOCC1" . "O=C(C1CCC(CC1)C(C)(C)C)Nc1ccc(cc1)OC(=O)NN1CCOCC1" . "XSLDWDIQZLTRHG-UHFFFAOYSA-N" . "InChI=1S/C22H33N3O4/c1-22(2,3)17-6-4-16(5-7-17)20(26)23-18-8-10-19(11-9-18)29-21(27)24-25-12-14-28-15-13-25/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,23,26)(H,24,27)" . "Cc1cccc(c1)NN=C(C(=O)C(F)(F)F)C(=O)c1cccs1" . "Cc1cccc(c1)N/N=C(/C(=O)C(F)(F)F)/C(=O)c1cccs1" . "YNUQHMHMYSUKFL-NDENLUEZSA-N" . "InChI=1S/C15H11F3N2O2S/c1-9-4-2-5-10(8-9)19-20-12(14(22)15(16,17)18)13(21)11-6-3-7-23-11/h2-8,19H,1H3/b20-12-" . "C=Cc1cc(O)cc2c1oc(n2)c1ccc(c(c1)F)O" . "C=Cc1cc(O)cc2c1oc(n2)c1ccc(c(c1)F)O" . "MQIMZDXIAHJKQP-UHFFFAOYSA-N" . "InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2" . "COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1" . "COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1" . "PHRCDWVPTULQMT-UHFFFAOYSA-N" . "InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3" . "FCSC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F" . "FCSC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F" . "MGNNYOODZCAHBA-GQKYHHCASA-N" . "InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1" . "N#Cc1ccc(cc1C(F)(F)F)C1CCCCC1O" . "N#Cc1ccc(cc1C(F)(F)F)[C@H]1CCCC[C@H]1O" . "MENRRRXHFQYXDW-DGCLKSJQSA-N" . "InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1" . "O=C(Nc1ccccc1)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1" . "O=C(Nc1ccccc1)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1" . "LVOVQRPAMXCXTM-UHFFFAOYSA-N" . "InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)" . "CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC" . "CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC" . "WDPFJWLDPVQCAJ-UHFFFAOYSA-N" . "InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3" . "O=N(=O)c1ccc(c(c1)S(=O)(=O)n1c(C)nc2c1cccc2)C" . "O=N(=O)c1ccc(c(c1)S(=O)(=O)n1c(C)nc2c1cccc2)C" . "ILVCPQPMRPHZSG-UHFFFAOYSA-N" . "InChI=1S/C15H13N3O4S/c1-10-7-8-12(18(19)20)9-15(10)23(21,22)17-11(2)16-13-5-3-4-6-14(13)17/h3-9H,1-2H3" . "O=C(N1CCC(=Cc2cccc(c2)Oc2ccc(cn2)C(F)(F)F)CC1)Nc1cccnn1" . "O=C(N1CCC(=Cc2cccc(c2)Oc2ccc(cn2)C(F)(F)F)CC1)Nc1cccnn1" . "BATCTBJIJJEPHM-UHFFFAOYSA-N" . "InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)" . "COc1ccc2c3c1OC1C3(CCN(C2)C)C=CC(C1)O" . "COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)O" . "ASUTZQLVASHGKV-JDFRZJQESA-N" . "InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1" . "C#CCNC1CCc2c1cccc2" . "C#CCN[C@@H]1CCc2c1cccc2" . "RUOKEQAAGRXIBM-GFCCVEGCSA-N" . "InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1" . "O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N" . "O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N" . "VVIAGPKUTFNRDU-ABLWVSNPSA-N" . "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N" . "ZNOVTXRBGFNYRX-UHFFFAOYSA-N" . "InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N" . "WBXPDJSOTKVWSJ-UHFFFAOYSA-N" . "InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)" . "Nc1c2CCCCc2nc2c1cccc2" . "Nc1c2CCCCc2nc2c1cccc2" . "YLJREFDVOIBQDA-UHFFFAOYSA-N" . "InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)" . "NC(=Nc1ccccc1C)Nc1ccccc1C" . "NC(=Nc1ccccc1C)Nc1ccccc1C" . "OPNUROKCUBTKLF-UHFFFAOYSA-N" . "InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)" . "NC(=Nc1ccccc1C)Nc1ccccc1C" . "NC(=Nc1ccccc1C)Nc1ccccc1C" . "OPNUROKCUBTKLF-UHFFFAOYSA-N" . "InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)" . "CC(=CCN1CCC2(C(C1Cc1c2cc(cc1)O)C)C)C" . "CC(=CCN1CC[C@]2([C@@H]([C@@H]1Cc1c2c([3H])c(c(c1)[3H])O)C)C)C" . "VOKSWYLNZZRQPF-BXKNQVALSA-N" . "InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1/i6T,12T" . "CCC(C(=O)OC1CC2CCC(C1)N2C)Oc1ccc(cc1)Cl" . "CCC(C(=O)OC1CC2CCC(C1)N2C)Oc1ccc(cc1)Cl" . "WTPAXDRULIZRDJ-UHFFFAOYSA-N" . "InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3" . "C#CCN(CCCOc1ccc(cc1Cl)Cl)C" . "C#CCN(CCCOc1ccc(cc1Cl)Cl)C" . "BTFHLQRNAMSNLC-UHFFFAOYSA-N" . "InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3" . "CCCN(CCc1ccc(c(c1)OCCc1ccccc1)OC)CCC" . "CCCN(CCc1ccc(c(c1)OCCc1ccccc1)OC)CCC" . "YBLIQJGXRLZBCZ-UHFFFAOYSA-N" . "InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3" . "O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1" . "O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1" . "RQHKZUBCUZVZEF-UHFFFAOYSA-N" . "InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2" . "C=CCN1CCC2(C(C1Cc1c2cc(cc1)O)C)C" . "C=CCN1CC[C@]2([C@@H]([C@@H]1Cc1c2cc(cc1)O)C)C" . "LGQCVMYAEFTEFN-DQYPLSBCSA-N" . "InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17+/m1/s1" . "COC(=O)C1(CC1CN1CCC(CC1)(O)c1ccccc1)c1ccc(cc1)C" . "COC(=O)C1(CC1CN1CCC(CC1)(O)c1ccccc1)c1ccc(cc1)C" . "BDSYECBSUUOPCT-UHFFFAOYSA-N" . "InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3" . "O=C(c1ccc(cc1)c1ccccn1)NCC=CCN1CCN(CC1)c1cccc(c1Cl)Cl" . "O=C(c1ccc(cc1)c1ccccn1)NC/C=C/CN1CCN(CC1)c1cccc(c1Cl)Cl" . "ZMYOIZHRXABMFZ-ONEGZZNKSA-N" . "InChI=1S/C26H26Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+" . "O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl" . "O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl" . "YJPWVCIGSHWNON-UHFFFAOYSA-N" . "InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)" . "O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "NCYCYZXNIZJOKI-MKOSUFFBSA-N" . "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+" . "OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "FPIPGXGPPPQFEQ-HWCYFHEPSA-N" . "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-" . "O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "NCYCYZXNIZJOKI-HWCYFHEPSA-N" . "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-" . "OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "FPIPGXGPPPQFEQ-IOUUIBBYSA-N" . "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+" . "O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "NCYCYZXNIZJOKI-IOUUIBBYSA-N" . "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+" . "O=C(c1ccccc1)Nc1sc2c(n1)ccc(c2)NC(=O)C12CC3CC(C2)CC(C1)C3" . "O=C(c1ccccc1)Nc1sc2c(n1)ccc(c2)NC(=O)C12CC3CC(C2)CC(C1)C3" . "MVSSJPGNLQPWSW-UHFFFAOYSA-N" . "InChI=1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)" . "Ic1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "[125I]c1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "VLKJKVMACAESPP-MRDSYVANSA-N" . "InChI=1S/C23H19IN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1/i24-2" . "Brc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nccn2)C(=O)NC(c1ccc(cc1F)F)C" . "Brc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nccn2)C(=O)N[C@@H](c1ccc(cc1F)F)C" . "TZKCPFFVWLRNRZ-CYBMUJFWSA-N" . "InChI=1S/C23H17BrF2N4O3S/c1-13(16-8-6-15(25)12-18(16)26)29-23(31)17-7-5-14(24)11-20(17)30-34(32,33)21-4-2-3-19-22(21)28-10-9-27-19/h2-13,30H,1H3,(H,29,31)/t13-/m1/s1" . "CCCCCCC(=O)CCCCCCC=CCC(C(C(C(=O)O)(CO)N)O)O" . "CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@](C(=O)O)(CO)N)O)O" . "ZZIKIHCNFWXKDY-GNTQXERDSA-N" . "InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1" . "O=CCc1ccc(cc1)O" . "O=CCc1ccc(cc1)O" . "IPRPPFIAVHPVJH-UHFFFAOYSA-N" . "InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2" . "c1ccc(cc1)C(c1ccccc1)OC1CCN(CC1)CCCc1nnn[nH]1" . "c1ccc(cc1)C(c1ccccc1)OC1CCN(CC1)CCCc1nnn[nH]1" . "TZQGXAHOROZEKN-UHFFFAOYSA-N" . "InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)" . "OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1" . "OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1" . "OZWKMVRBQXNZKK-UHFFFAOYSA-N" . "InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)" . "CCC(C(C(=O)N1CCC2(CC1)C=Cc1c2cccc1)NC(=O)C(NC(=O)c1ccno1)CC1CCCCC1)C" . "CC[C@H]([C@@H](C(=O)N1CCC2(CC1)C=Cc1c2cccc1)NC(=O)[C@@H](NC(=O)c1ccno1)CC1CCCCC1)C" . "DCUDDCGUKZLQLN-ZEZZXZOMSA-N" . "InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26+,28+/m1/s1" . "NCC1CCN(CC1)C(=O)c1cccc(c1)CNC(=O)C(C(CC)C)NC(=O)C(NC(=O)c1ccno1)CC1CCCCC1" . "NCC1CCN(CC1)C(=O)c1cccc(c1)CNC(=O)[C@H](C(CC)C)NC(=O)[C@@H](NC(=O)c1ccno1)CC1CCCCC1" . "HXLQLJFWNKMGET-KCPQSXFMSA-N" . "InChI=1S/C33H48N6O5/c1-3-22(2)29(38-30(40)27(19-23-8-5-4-6-9-23)37-31(41)28-12-15-36-44-28)32(42)35-21-25-10-7-11-26(18-25)33(43)39-16-13-24(20-34)14-17-39/h7,10-12,15,18,22-24,27,29H,3-6,8-9,13-14,16-17,19-21,34H2,1-2H3,(H,35,42)(H,37,41)(H,38,40)/t22?,27-,29-/m0/s1" . "CCCCCCCCCCCCCCCC(=O)C(CO)N" . "CCCCCCCCCCCCCCCC(=O)[C@H](CO)N" . "KBUNOSOGGAARKZ-KRWDZBQOSA-N" . "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1" . "Nc1nn2c(n1)c(F)cc(c2)c1cncc(c1)S(=O)(=O)NC(C)(C)C" . "Nc1nn2c(n1)c(F)cc(c2)c1cncc(c1)S(=O)(=O)NC(C)(C)C" . "RXRZPHQBTHQXSV-UHFFFAOYSA-N" . "InChI=1S/C15H17FN6O2S/c1-15(2,3)21-25(23,24)11-4-9(6-18-7-11)10-5-12(16)13-19-14(17)20-22(13)8-10/h4-8,21H,1-3H3,(H2,17,20)" . "OC(=O)C(Cc1cc(I)c(c(c1)I)O)N" . "OC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)N" . "NYPYHUZRZVSYKL-ZETCQYMHSA-N" . "InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1" . "CCCc1cc(=O)[nH]c(=S)[nH]1" . "CCCc1cc(=O)[nH]c(=S)[nH]1" . "KNAHARQHSZJURB-UHFFFAOYSA-N" . "InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)" . "Cn1ccnc1S" . "Cn1ccnc1S" . "PMRYVIKBURPHAH-UHFFFAOYSA-N" . "InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)" . "OC(=O)C(Cc1ccc(c(c1)I)Oc1ccc(c(c1)I)O)N" . "OC(=O)C(Cc1ccc(c(c1)I)Oc1ccc(c(c1)I)O)N" . "CPCJBZABTUOGNM-UHFFFAOYSA-N" . "InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)" . "CCN(C(=O)C(=Cc1cc(O)c(c(c1)[N+](=O)[O-])O)C#N)CC" . "CCN(C(=O)/C(=C/c1cc(O)c(c(c1)[N+](=O)[O-])O)/C#N)CC" . "JRURYQJSLYLRLN-BJMVGYQFSA-N" . "InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+" . "Cc1ccc2c(c1)c1CCCC3c1n2CCN3" . "Cc1ccc2c(c1)c1CCCC3c1n2CCN3" . "IWVRVEIKCBFZNF-UHFFFAOYSA-N" . "InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3" . "COCC1CN(C(=O)O1)c1ccc(cc1)OCCC(C(F)(F)F)O" . "COC[C@H]1CN(C(=O)O1)c1ccc(cc1)OCC[C@H](C(F)(F)F)O" . "IALVDLPLCLFBCF-CHWSQXEVSA-N" . "InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1" . "NCc1c[nH]c(=S)n1C1CCc2c(C1)cc(cc2F)F" . "NCc1c[nH]c(=S)n1[C@H]1CCc2c(C1)cc(cc2F)F" . "YZZVIKDAOTXDEB-JTQLQIEISA-N" . "InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1" . "Oc1ccc(cc1)CC(=O)C(=O)O" . "Oc1ccc(cc1)CC(=O)C(=O)O" . "KKADPXVIOXHVKN-UHFFFAOYSA-N" . "InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)" . "[NH3+]CCOP(=O)([O-])[O-]" . "[NH3+]CCOP(=O)([O-])[O-]" . "SUHOOTKUPISOBE-UHFFFAOYSA-M" . "InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/p-1" . "CCCCCCCCc1ccc(cc1)CCC(COC)(CO)N" . "CCCCCCCCc1ccc(cc1)CC[C@](COC)(CO)N" . "YEYZALQTJCVXIJ-HXUWFJFHSA-N" . "InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m1/s1" . "Clc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(=O)NCc1ccncc1" . "Clc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(=O)NCc1ccncc1" . "CAOTVXGYTWCKQE-UHFFFAOYSA-N" . "InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)" . "OCC1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1" . "NPUXORBZRBIOMQ-RUZDIDTESA-N" . "InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1" . "CCCCCc1ccc(cc1)C=CC(C(NC)CO)O" . "CCCCCc1ccc(cc1)/C=C/[C@@H]([C@H](NC)CO)O" . "JYEXUQKROPHSEF-SFDDJJRUSA-N" . "InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1" . "CCCCCCCCCCCCCCCC(C(COP(=O)([O-])[O-])[NH3+])O" . "CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])[O-])[NH3+])O" . "YHEDRJPUIRMZMP-ZWKOTPCHSA-M" . "InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/p-1/t17-,18+/m0/s1" . "O=CC(C(=O)[O-])C" . "O=CC(C(=O)[O-])C" . "VOKUMXABRRXHAR-UHFFFAOYSA-M" . "InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1" . "[O-]C(=O)C(C[NH3+])C" . "[O-]C(=O)[C@H](C[NH3+])C" . "QCHPKSFMDHPSNR-VKHMYHEASA-N" . "InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1" . "O=CCCC(=O)[O-]" . "O=CCCC(=O)[O-]" . "UIUJIQZEACWQSV-UHFFFAOYSA-M" . "InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)/p-1" . "NCCCC=O" . "NCCCC=O" . "DZQLQEYLEYWJIB-UHFFFAOYSA-N" . "InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2" . "[O-]C(=O)CCC[N+](C)(C)C" . "[O-]C(=O)CCC[N+](C)(C)C" . "JHPNVNIEXXLNTR-UHFFFAOYSA-N" . "InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3" . "O=CCCC[N+](C)(C)C" . "O=CCCC[N+](C)(C)C" . "OITBLCDWXSXNCN-UHFFFAOYSA-N" . "InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1" . "CCN(C(=O)Oc1cccc(c1)C(N(C)C)C)C" . "CCN(C(=O)Oc1cccc(c1)[C@@H](N(C)C)C)C" . "XSVMFMHYUFZWBK-NSHDSACASA-N" . "InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1" . "O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(CNC(C)(C)C)O" . "O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(CNC(C)(C)C)O" . "ANZXOIAKUNOVQU-UHFFFAOYSA-N" . "InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3" . "C=CC[N+](c1ccc(cc1)CCC(=O)CCc1ccc(cc1)[N+](CC=C)(C)C)(C)C" . "C=CC[N+](c1ccc(cc1)CCC(=O)CCc1ccc(cc1)[N+](CC=C)(C)C)(C)C" . "ZAEXMNKDGJNLTA-UHFFFAOYSA-N" . "InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2" . "COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1" . "COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1" . "ADEBPBSSDYVVLD-UHFFFAOYSA-N" . "InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3" . "CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C" . "CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C" . "PIJVFDBKTWXHHD-HIFRSBDPSA-N" . "InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1" . "OCC(C(C(Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O" . "OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O" . "AUNGANRZJHBGPY-SCRDCRAPSA-N" . "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1" . "OC(=O)CC1NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(N(C(=O)C(NC1=O)Cc1ccccc1)C)C(C)C" . "OC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N(C(=O)[C@H](NC1=O)Cc1ccccc1)C)C(C)C" . "AMLYAMJWYAIXIA-VWNVYAMZSA-N" . "InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1" . "NCCCCC(C(=O)O)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)Cc1nc[nH]c1 " . "CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O" . "MBZSEGOTVVCKNO-KESUXUJOSA-N" . "InChI=1S/C30H47N11O10/c1-15(2)24(29(49)39-20(8-17-11-34-14-36-17)26(46)37-19(30(50)51)5-3-4-6-31)41-27(47)21(9-23(43)44)38-28(48)22(12-42)40-25(45)18(32)7-16-10-33-13-35-16/h10-11,13-15,18-22,24,42H,3-9,12,31-32H2,1-2H3,(H,33,35)(H,34,36)(H,37,46)(H,38,48)(H,39,49)(H,40,45)(H,41,47)(H,43,44)(H,50,51)/t18-,19-,20-,21-,22-,24-/m0/s1" . "O=C(N1CCN(CC1)C(=O)C)C=Cc1ccc(c(c1)N(=O)=O)Sc1ccccc1C(C)C" . "O=C(N1CCN(CC1)C(=O)C)/C=C/c1ccc(c(c1)N(=O)=O)Sc1ccccc1C(C)C" . "HTGGAYLWTDOFDK-PKNBQFBNSA-N" . "InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+" . "O=C(Nc1ccccc1C)Nc1ccc(cc1)CC(=O)N1CCOCC1C(=O)N1CCC(CC1)CC(=O)O" . "O=C(Nc1ccccc1C)Nc1ccc(cc1)CC(=O)N1CCOC[C@H]1C(=O)N1CCC(CC1)CC(=O)O" . "ITXAAOWFOURIHK-DEOSSOPVSA-N" . "InChI=1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)/t24-/m0/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)C)CC(=O)O)NC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1C)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)CC(=O)O)NC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1C)C" . "NVVGCQABIHSJSQ-KFZSMJGVSA-N" . "InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1" . "SCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CCCN=C(N)N" . "SC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCN=C(N)N" . "BIEZITROCMXFHL-QAETUUGQSA-N" . "InChI=1S/C24H36N8O9S/c25-14(8-12-3-5-13(33)6-4-12)20(37)31-15(2-1-7-28-24(26)27)21(38)29-10-18(34)30-16(9-19(35)36)22(39)32-17(11-42)23(40)41/h3-6,14-17,33,42H,1-2,7-11,25H2,(H,29,38)(H,30,34)(H,31,37)(H,32,39)(H,35,36)(H,40,41)(H4,26,27,28)/t14-,15-,16-,17-/m0/s1" . "OC(=O)CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(=N)N" . "OC(=O)CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(=N)N" . "QGEGSJUSWLLZLH-UHFFFAOYSA-N" . "InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25)" . "CCCCS(=O)(=O)NC(C(=O)O)Cc1ccc(cc1)OCCCCC1CCNCC1" . "CCCCS(=O)(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCCCCC1CCNCC1" . "COKMIXFXJJXBQG-NRFANRHFSA-N" . "InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1" . "OC(=O)CC1NC(=O)CNC(=O)C(CCCCNC(=N)N)NC(=O)CCSSCC(NC(=O)C2N(C(=O)C(NC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(=O)N" . "OC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=N)N)NC(=O)CCSSC[C@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(=O)N" . "CZKPOZZJODAYPZ-LROMGURASA-N" . "InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1" . "O=C(NCC(C(=O)O)NC(=O)C1N(CSC1(C)C)S(=O)(=O)c1ccccc1)NCc1ccccc1" . "O=C(NC[C@@H](C(=O)O)NC(=O)[C@@H]1N(CSC1(C)C)S(=O)(=O)c1ccccc1)NCc1ccccc1" . "XKLHCUGVLCGKKX-OALUTQOASA-N" . "InChI=1S/C23H28N4O6S2/c1-23(2)19(27(15-34-23)35(32,33)17-11-7-4-8-12-17)20(28)26-18(21(29)30)14-25-22(31)24-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19-/m0/s1" . "O=Cc1ccccc1SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "O=Cc1ccccc1SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "IYUOFUODBWFCBK-UHFFFAOYSA-N" . "InChI=1S/C22H17NO3S/c24-14-16-6-1-2-11-19(16)27-13-5-12-23-21(25)17-9-3-7-15-8-4-10-18(20(15)17)22(23)26/h1-4,6-11,14H,5,12-13H2" . "O=CC=CC(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)C=CC=O" . "O=C/C=C/C(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)/C=C/C=O" . "BFNFDDZOFCRJTI-PORYWJCVSA-N" . "InChI=1S/C26H20N2O6/c29-16-2-6-25(31)27-19-8-12-21(13-9-19)33-23-4-1-5-24(18-23)34-22-14-10-20(11-15-22)28-26(32)7-3-17-30/h1-18H,(H,27,31)(H,28,32)/b6-2-,7-3-" . "Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C" . "Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C" . "VGUQVYZXABOXCX-UHFFFAOYSA-N" . "InChI=1S/C25H19N3O4/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(29)13-17/h2-13,23,29H,1H3,(H,26,27)(H,31,32)" . "CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NC(C(=O)O)CCc1ccccc1" . "C[C@@H](C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2)N[C@H](C(=O)O)CCc1ccccc1" . "FMMDBLMCSDRUPA-BPUTZDHNSA-N" . "InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1" . "CCOC(=O)C(NC(C(=O)N1CC2(CC1C(=O)O)SCCS2)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2)C)CCc1ccccc1" . "HRWCVUIFMSZDJS-SZMVWBNQSA-N" . "InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1" . "COc1cc2CC(C(=O)O)N(Cc2cc1OC)C(=O)C(NC(C(=O)O)CCc1ccccc1)C" . "COc1cc2C[C@@H](C(=O)O)N(Cc2cc1OC)C(=O)[C@@H](N[C@H](C(=O)O)CCc1ccccc1)C" . "CMPAGYDKASJORH-YSSFQJQWSA-N" . "InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1" . "CCOC(=O)C(NC(C(=O)N1Cc2cc(OC)c(cc2CC1C(=O)O)OC)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)O)OC)C)CCc1ccccc1" . "UWWDHYUMIORJTA-HSQYWUDLSA-N" . "InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1" . "NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)C)CCCCN)CCCNC(=N)N)CC(=O)N)CC(=O)N)Cc3ccccc3)CCCCN)CO)C)CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N5[C@H](C(=O)N2)CCC5)[C@H](O)C)Cc2ccc(cc2)O)CCC4)CCC3)CCC(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)N)CC(=O)O)Cc2ccccc2)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C)[C@H](O)C)CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)CCCNC(=N)N)[C@H](CC)C)[C@H](CC)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccccc1)Cc1ccc(cc1)O)CC(=O)N)C)CCCCN)C)[C@H](O)C)C(C)C" . "CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)Cc3ccccc3)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCC(=O)N)[C@@H](C)O)Cc2ccccc2)C(C)C)Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)C)CCCCN)[C@@H](C)O)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)Cc1ccc(cc1)O)CCCNC(=N)N)[C@@H](C)CC" . "ZPNFWUPYTFPOJU-LPYSRVMUSA-N" . "S=C=NCCCCS(=O)C" . "S=C=NCCCCS(=O)C" . "SUVMJBTUFCVSAD-UHFFFAOYSA-N" . "InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3" . "CC(C(C(=O)O)NS(=O)(=O)c1ccc2c(c1)oc1c2cc(cc1)c1ccc(o1)C)C" . "CC([C@@H](C(=O)O)NS(=O)(=O)c1ccc2c(c1)oc1c2cc(cc1)c1ccc(o1)C)C" . "LLJREHOWNIBILL-NRFANRHFSA-N" . "InChI=1S/C22H21NO6S/c1-12(2)21(22(24)25)23-30(26,27)15-6-7-16-17-10-14(18-8-4-13(3)28-18)5-9-19(17)29-20(16)11-15/h4-12,21,23H,1-3H3,(H,24,25)/t21-/m0/s1" . "CCC(CNC(=O)C(C(C(NC(=O)C(NC(=O)C(NS(=O)(=O)N1CCOCC1)Cc1ccccc1)CC=C)CC1CCCCC1)O)(F)F)C" . "CC[C@@H](CNC(=O)C([C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1)CC=C)CC1CCCCC1)O)(F)F)C" . "SXQPECMJHHMDFO-DUGYJJFCSA-N" . "InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1" . "O=C(C1CC1c1ccccc1)N1C2CCCCC2CC1C(=O)N1CSCC1" . "O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CSCC1" . "NXSXRIHXEQSYEZ-KNJMJIDISA-N" . "InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1" . "NC(=NCCCC(C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)C(C(C)C)NC(=O)C(NC(=O)Cc1ccccc1)CCCN=C(N)N)N" . "NC(=NCCC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)Cc1ccccc1)CCCN=C(N)N)N" . "YGMAIAXBJLVVLI-KLJDGLGGSA-N" . "InChI=1S/C33H50N12O4/c1-20(2)27(45-30(48)25(11-7-17-41-33(38)39)43-26(46)18-21-8-4-3-5-9-21)31(49)44-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,27-/m0/s1" . "N#CCc1ccc(cc1OC)c1nc2c(o1)cccc2" . "N#CCc1ccc(cc1OC)c1nc2c(o1)cccc2" . "LWSOZPNJUFEDJU-UHFFFAOYSA-N" . "InChI=1S/C16H12N2O2/c1-19-15-10-12(7-6-11(15)8-9-17)16-18-13-4-2-3-5-14(13)20-16/h2-7,10H,8H2,1H3" . "CN(C1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C" . "CN([C@H]1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C" . "CUESOMOCKVRNIW-KRWDZBQOSA-N" . "InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)/t17-/m0/s1" . "OP(=O)(C(c1cccc2c1cccc2)C(=O)c1cc2ccccc2cc1C(=O)N(C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2)C)O" . "OP(=O)(C(c1cccc2c1cccc2)C(=O)c1cc2ccccc2cc1C(=O)N(C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2)C)O" . "XUJQPDQURBZEGJ-UHFFFAOYSA-N" . "InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)" . "O=C(NC(P(=O)(CC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)O)Cc1ccccc1)OCc1ccccc1" . "O=C(N[C@H](P(=O)(CC(C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)O)Cc1ccccc1)OCc1ccccc1" . "WWTBZEKOSBFBEM-SPWPXUSOSA-N" . "InChI=1S/C37H38N3O7P/c41-35(39-33(36(42)43)22-29-23-38-32-19-11-10-18-31(29)32)30(20-26-12-4-1-5-13-26)25-48(45,46)34(21-27-14-6-2-7-15-27)40-37(44)47-24-28-16-8-3-9-17-28/h1-19,23,30,33-34,38H,20-22,24-25H2,(H,39,41)(H,40,44)(H,42,43)(H,45,46)/t30?,33-,34+/m0/s1" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl" . "JQZJACVYMPKVDS-UHFFFAOYSA-N" . "InChI=1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)" . "ClCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CC2CC1CC2" . "ClCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CC2CC1CC2" . "PVJGDYDNVNCGBT-UHFFFAOYSA-N" . "InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)" . "CCCSc1nc2CCSc2c(=O)n1c1ccccc1" . "CCCSc1nc2CCSc2c(=O)n1c1ccccc1" . "YHNDCCKFNWDQGW-UHFFFAOYSA-N" . "InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3" . "COCCn1nc2c(c1CC)[nH]c(nc2=O)c1cc(cnc1OCC)S(=O)(=O)N1CCN(CC1)CC" . "COCCn1nc2c(c1CC)[nH]c(nc2=O)c1cc(cnc1OCC)S(=O)(=O)N1CCN(CC1)CC" . "YPFZMBHKIVDSNR-UHFFFAOYSA-N" . "InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)" . "O=N(=O)c1cccc(c1)n1c(=O)n(Cc2ccncc2)c(=O)c2c1nccc2" . "O=N(=O)c1cccc(c1)n1c(=O)n(Cc2ccncc2)c(=O)c2c1nccc2" . "YLHRMVRLIOIWTO-UHFFFAOYSA-N" . "InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cc(cc1C)C" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cc(cc1C)C" . "AFZWZVLPIMHLSE-UHFFFAOYSA-N" . "InChI=1S/C15H19NO2S/c1-10-6-12(3)15(13(4)7-10)19(17,18)16-9-11(2)8-14(16)5/h6-9H,1-5H3" . "CC(CC(C(=O)N1CCCC1P(=O)(CC(C(=O)O)Cc1ccccc1)O)NC(=O)C)C" . "CC(C[C@@H](C(=O)N1CCC[C@@H]1P(=O)(C[C@H](C(=O)O)Cc1ccccc1)O)NC(=O)C)C" . "DGMLSHVZZKUDPN-AABGKKOBSA-N" . "InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-9,15,18-20H,7,10-14H2,1-3H3,(H,23,25)(H,27,28)(H,29,30)/t18-,19+,20+/m1/s1" . "Brc1ccc2c(c1)n1c(CO2)noc1=O" . "Brc1ccc2c(c1)n1c(CO2)noc1=O" . "MUDRLQRJCGJJTB-UHFFFAOYSA-N" . "InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2" . "COC(=O)c1[nH]nc(n1)NC(=O)c1ccc(cc1)C(C)(C)C" . "COC(=O)c1[nH]nc(n1)NC(=O)c1ccc(cc1)C(C)(C)C" . "LVKKWCOINMSBPK-UHFFFAOYSA-N" . "InChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20)" . "NC(=O)NCc1ccc(c(c1)C1=CC(=CC(=c2[nH]c3c([nH]2)ccc(c3)C(=N)N)C1=O)C(C(=O)O)CC(=O)O)O" . "NC(=O)NCc1ccc(c(c1)C1=CC(=C/C(=c/2/[nH]c3c([nH]2)ccc(c3)C(=N)N)/C1=O)C(C(=O)O)CC(=O)O)O" . "VPCHMCAFZYYMSK-JJIBRWJFSA-N" . "InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,31-33H,9-10H2,(H3,27,28)(H,34,35)(H,37,38)(H3,29,30,39)/b24-17+" . "CC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)CCC=C(CCC=C(C)C)C" . "C/C(=C/CC/C=C(/CC/C=C(/CC[C@@H]1OC1(C)C)/C)/C)/CC/C=C(/CCC=C(C)C)/C" . "QYIMSPSDBYKPPY-RSKUXYSASA-N" . "InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1" . "CC(CNCc1ccccc1NC(=O)OCC(c1ccccc1)Oc1cccc2c1cc(s2)C(=N)N)C" . "CC(CNCc1ccccc1NC(=O)OCC(c1ccccc1)Oc1cccc2c1cc(s2)C(=N)N)C" . "QGLTXLFHFVMPJH-UHFFFAOYSA-N" . "InChI=1S/C29H32N4O3S/c1-19(2)16-32-17-21-11-6-7-12-23(21)33-29(34)35-18-25(20-9-4-3-5-10-20)36-24-13-8-14-26-22(24)15-27(37-26)28(30)31/h3-15,19,25,32H,16-18H2,1-2H3,(H3,30,31)(H,33,34)" . "NC(=S)NN=C(c1cccc(c1)Br)c1cccc(c1)O" . "NC(=S)N/N=C(/c1cccc(c1)Br)/c1cccc(c1)O" . "ZDBKSZKTCPOBFR-LGMDPLHJSA-N" . "InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)/b17-13-" . "OC(=O)C(COP(=O)(O)O)(N)C" . "OC(=O)C(COP(=O)(O)O)(N)C" . "GSFCOAGADOGIGE-UHFFFAOYSA-N" . "InChI=1S/C4H10NO6P/c1-4(5,3(6)7)2-11-12(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)" . "O=C(NC(c1ccc(cc1)Br)C)NC(C(=O)NC(C(=O)NC(C(=O)c1nccs1)CCCN=C(N)N)C(C)C)CCCNC(=O)N" . "O=C(N[C@@H](c1ccc(cc1)Br)C)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)C(C)C)CCCNC(=O)N" . "BGBJLVHKOHYLME-MNAPGUCWSA-N" . "InChI=1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1" . "OC(=O)CCCN1CCCC1COc1ccc(cc1)Oc1ccc(cc1)Cl" . "OC(=O)CCCN1CCC[C@H]1COc1ccc(cc1)Oc1ccc(cc1)Cl" . "PVCTYSQBVIGZRU-KRWDZBQOSA-N" . "InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1" . "OCC(C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)C(NS(=O)(=O)Cc1ccccc1)CO" . "OC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)CO" . "ZNOKJHWJKULOGM-ZWKOTPCHSA-N" . "InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1" . "OC1C(O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@H]([C@H]1O)O)O" . "CDAISMWEOUEBRE-LKPKBOIGSA-N" . "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1" . "CCOCOCC(NC(=O)c1ccc(cc1)Oc1ccccc1)CC(C(=O)NO)C" . "CCOCOC[C@@H](NC(=O)c1ccc(cc1)Oc1ccccc1)C[C@@H](C(=O)NO)C" . "HDWWQELUBWGQGA-WMZOPIPTSA-N" . "InChI=1S/C22H28N2O6/c1-3-28-15-29-14-18(13-16(2)21(25)24-27)23-22(26)17-9-11-20(12-10-17)30-19-7-5-4-6-8-19/h4-12,16,18,27H,3,13-15H2,1-2H3,(H,23,26)(H,24,25)/t16-,18-/m0/s1" . "NC(=Nc1ncc(c2c1cc(cc2)c1cccc(c1)C(=O)O)Cl)N" . "NC(=Nc1ncc(c2c1cc(cc2)c1cccc(c1)C(=O)O)Cl)N" . "UXNWIRHZMHGOCE-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN4O2/c18-14-8-21-15(22-17(19)20)13-7-10(4-5-12(13)14)9-2-1-3-11(6-9)16(23)24/h1-8H,(H,23,24)(H4,19,20,21,22)" . "O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1" . "O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1" . "PGIXYPNBNAOYHW-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2" . "COc1cc(Br)c(cc1OC)C(=O)NC(C(CN(C(=O)CCN1C(=O)c2c(C1=O)cccc2)CCc1ccc(cc1Cl)Cl)O)Cc1cccc(c1)Oc1ccccc1" . "COc1cc(Br)c(cc1OC)C(=O)N[C@H]([C@H](CN(C(=O)CCN1C(=O)c2c(C1=O)cccc2)CCc1ccc(cc1Cl)Cl)O)Cc1cccc(c1)Oc1ccccc1" . "DQHKQRXAVNDAFY-UWXQCODUSA-N" . "InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1" . "Clc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)C1(C)COCC(=N1)N)F" . "Clc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)[C@]1(C)COCC(=N1)N)F" . "RAFVKOLBEOKYJW-SFHVURJKSA-N" . "InChI=1S/C18H18ClFN4O2/c1-10-5-11(19)7-22-16(10)17(25)23-12-3-4-14(20)13(6-12)18(2)9-26-8-15(21)24-18/h3-7H,8-9H2,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1" . "N#Cc1c(N)n(nc2c1=CC(C)(C)OC2)c1ccccc1" . "N#Cc1c(N)n(nc2c1=CC(C)(C)OC2)c1ccccc1" . "XQJQZTOXHGIQCA-UHFFFAOYSA-N" . "InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-8H,10,18H2,1-2H3" . "NC(C(=O)N1CCCCC1)CCNCc1ccc(cc1)Cl" . "N[C@H](C(=O)N1CCCCC1)CCNCc1ccc(cc1)Cl" . "DNVZYSMOLXCOLY-HNNXBMFYSA-N" . "InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1" . "O=C(C1NC(=O)C(Cc2nnn(c2)Cc2cc(Cn3cc(C1)nn3)ccc2)NS(=O)(=O)Cc1ccccc1)NCc1ccc(cc1)C(=N)N" . "O=C([C@H]1NC(=O)[C@@H](Cc2nnn(c2)Cc2cc(Cn3cc(C1)nn3)ccc2)NS(=O)(=O)Cc1ccccc1)NCc1ccc(cc1)C(=N)N" . "BKSCOHJNKDJECO-XZWHSSHBSA-N" . "InChI=1S/C33H35N11O4S/c34-31(35)26-11-9-22(10-12-26)16-36-32(45)29-14-27-19-43(41-38-27)17-24-7-4-8-25(13-24)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-23-5-2-1-3-6-23/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/m0/s1" . "NC(C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F" . "NC(C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F" . "ZKIQFLSGMMYCGS-UHFFFAOYSA-N" . "InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2" . "N#CN(N(C(=O)C(CS(=O)(=O)CC(C)C)NC(=O)c1ccccc1)C)C" . "N#CN(N(C(=O)[C@H](CS(=O)(=O)CC(C)C)NC(=O)c1ccccc1)C)C" . "UGAZRSHSXNNYTK-HNNXBMFYSA-N" . "InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1" . "ONC(=O)C1C(O)C(O)C(CN1S(=O)(=O)c1ccc(cc1)Oc1ccccc1)O" . "ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](CN1S(=O)(=O)c1ccc(cc1)Oc1ccccc1)O" . "WLWNRAWQDZRXMB-YLFCFFPRSA-N" . "InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1" . "CCC(C(C(=O)NC(C(=O)OC)C(C)C)NC(=O)NNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CCCN=C(N)N)CC(C)C)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)OC)C(C)C)NC(=O)NNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCN=C(N)N)CC(C)C)C" . "ZLXFGUGFOLETFJ-POPCVQDUSA-N" . "InChI=1S/C38H64N10O9/c1-10-24(8)30(33(51)45-29(23(6)7)35(53)56-9)46-37(54)48-47-34(52)28(22(4)5)44-32(50)27(19-21(2)3)42-31(49)26(17-14-18-41-36(39)40)43-38(55)57-20-25-15-12-11-13-16-25/h11-13,15-16,21-24,26-30H,10,14,17-20H2,1-9H3,(H,42,49)(H,43,55)(H,44,50)(H,45,51)(H,47,52)(H4,39,40,41)(H2,46,48,54)/t24-,26-,27-,28-,29-,30-/m0/s1" . "O=C(C(Cc1ccccc1)NC(=O)C1OC1C(=O)NCCc1ccc(cc1)O)NCc1ccccc1" . "O=C([C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccc(cc1)O)NCc1ccccc1" . "ZMZQYVMNDRBKLO-SDHOMARFSA-N" . "InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1" . "CSCCC(C(=O)O)NC(=O)c1ccc(cc1c1ccccc1)NCC(CS)N" . "CSCC[C@@H](C(=O)O)NC(=O)c1ccc(cc1c1ccccc1)NC[C@H](CS)N" . "ZIXDDEATQSBHHL-BEFAXECRSA-N" . "InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1" . "CCCCC1(CCCC)CS(=O)(=O)c2c(C(C1O)c1ccc(cc1)OCCCC[N+]13CCN(CC1)CC3)cc(c(c2)OC)OC" . "CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1ccc(cc1)OCCCC[N+]13CCN(CC1)CC3)cc(c(c2)OC)OC" . "PHAUFFBQHZENJE-VSJLXWSYSA-N" . "InChI=1S/C36H55N2O6S/c1-5-7-15-36(16-8-6-2)27-45(40,41)33-26-32(43-4)31(42-3)25-30(33)34(35(36)39)28-11-13-29(14-12-28)44-24-10-9-20-38-21-17-37(18-22-38)19-23-38/h11-14,25-26,34-35,39H,5-10,15-24,27H2,1-4H3/q+1/t34-,35-/m1/s1" . "CCCCC1(CC)NC(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)OC" . "CCCC[C@@]1(CC)N[C@H](c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)OC" . "CKFWDLFFXXVSBJ-DHIUTWEWSA-N" . "InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1" . "ONC(=O)CC(C(=O)NC(C(C)(C)C)C(=O)NC(c1ccccc1)C)CCCc1ccc(c(c1)C)c1ccccc1" . "ONC(=O)C[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](c1ccccc1)C)CCCc1ccc(c(c1)C)c1ccccc1" . "JJHRUUKMPWUYIB-HVOSOHGQSA-N" . "InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1" . "O=CC(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)O)CCC(=O)O)CC(=O)O" . "O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CCC(=O)O)CC(=O)O" . "UMBVAPCONCILTL-MRHIQRDNSA-N" . "InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1" . "CCOCCC1(Oc2ccc(cc2)Oc2ccc(cc2)F)C(=O)NC(=O)NC1=O" . "CCOCCC1(Oc2ccc(cc2)Oc2ccc(cc2)F)C(=O)NC(=O)NC1=O" . "XRSYNYGEEYTXJV-UHFFFAOYSA-N" . "InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)" . "CCCNC(=N)NCCCC(C(=O)O)N" . "CCCNC(=N)NCCC[C@@H](C(=O)O)N" . "AOMXURITGZJPKB-ZETCQYMHSA-N" . "InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)CCCN=C(N)N)CCCCN)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)C(CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(CCC(=O)O)N)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C" . "WPNGPBPCQMDAAD-WRFZDFFOSA-N" . "InChI=1S/C140H214N36O43/c1-16-72(10)112(137(217)155-75(13)118(198)162-97(59-81-61-149-85-35-24-23-34-83(81)85)127(207)164-93(55-69(4)5)128(208)173-110(70(6)7)135(215)161-87(36-25-27-51-141)120(200)151-62-103(184)156-86(115(145)195)38-29-53-148-140(146)147)175-129(209)95(56-78-30-19-17-20-31-78)165-124(204)91(46-50-108(191)192)160-123(203)88(37-26-28-52-142)158-117(197)74(12)153-116(196)73(11)154-122(202)90(44-47-102(144)183)157-104(185)63-152-121(201)89(45-49-107(189)190)159-125(205)92(54-68(2)3)163-126(206)94(58-80-39-41-82(182)42-40-80)166-132(212)99(65-177)169-134(214)101(67-179)170-136(216)111(71(8)9)174-131(211)98(60-109(193)194)167-133(213)100(66-178)171-139(219)114(77(15)181)176-130(210)96(57-79-32-21-18-22-33-79)168-138(218)113(76(14)180)172-105(186)64-150-119(199)84(143)43-48-106(187)188/h17-24,30-35,39-42,61,68-77,84,86-101,110-114,149,177-182H,16,25-29,36-38,43-60,62-67,141-143H2,1-15H3,(H2,144,183)(H2,145,195)(H,150,199)(H,151,200)(H,152,201)(H,153,196)(H,154,202)(H,155,217)(H,156,184)(H,157,185)(H,158,197)(H,159,205)(H,160,203)(H,161,215)(H,162,198)(H,163,206)(H,164,207)(H,165,204)(H,166,212)(H,167,213)(H,168,218)(H,169,214)(H,170,216)(H,171,219)(H,172,186)(H,173,208)(H,174,211)(H,175,209)(H,176,210)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H4,146,147,148)/t72-,73-,74-,75-,76+,77+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,110-,111-,112-,113-,114-/m0/s1" . "O=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCCC1COc1ccccc1)Cc1ccccc1" . "O=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCC[C@H]1COc1ccccc1)Cc1ccccc1" . "PKOUAUWPBMZQCH-FQEVSTJZSA-N" . "InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1" . "CN(C1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C" . "CN([C@@H]1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C" . "CUESOMOCKVRNIW-QGZVFWFLSA-N" . "InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)/t17-/m1/s1" . "OC(=O)CC(C(=O)O)N" . "OC(=O)C[C@H](C(=O)O)N" . "CKLJMWTZIZZHCS-UWTATZPHSA-N" . "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1" . "CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "MQTOSJVFKKJCRP-BICOPXKESA-N" . "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" . "N#Cc1cc(F)cc(c1)n1nnc(n1)c1ccccn1" . "N#Cc1cc(F)cc(c1)n1nnc(n1)c1ccccn1" . "NNUSSUPIQZLYJW-UHFFFAOYSA-N" . "InChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H" . "ONC(=O)C(N1CCC(C1=O)(N)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC(C)C" . "ONC(=O)[C@H](N1CC[C@@](C1=O)(N)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC(C)C" . "QVNZBDLTUKCPGJ-SHQCIBLASA-N" . "InChI=1S/C27H32N4O4/c1-17(2)14-24(25(32)30-34)31-13-12-27(28,26(31)33)20-8-10-21(11-9-20)35-16-19-15-18(3)29-23-7-5-4-6-22(19)23/h4-11,15,17,24,34H,12-14,16,28H2,1-3H3,(H,30,32)/t24-,27-/m1/s1" . "OC(=O)CC(C(=O)COc1c(F)c(F)cc(c1F)F)NC(=O)C(NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C" . "OC(=O)C[C@@H](C(=O)COc1c(F)c(F)cc(c1F)F)NC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C" . "SCVHJVCATBPIHN-SJCJKPOMSA-N" . "InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1" . "OC(=O)CN1C(=O)C(CCc2c1cccc2)NC(=O)C1(CCCC1)CC(C(=O)O)CCc1ccccc1" . "OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)NC(=O)C1(CCCC1)C[C@H](C(=O)O)CCc1ccccc1" . "RSRHEOWMSRYTNB-PKTZIBPZSA-N" . "InChI=1S/C29H34N2O6/c32-25(33)19-31-24-11-5-4-10-21(24)14-15-23(26(31)34)30-28(37)29(16-6-7-17-29)18-22(27(35)36)13-12-20-8-2-1-3-9-20/h1-5,8-11,22-23H,6-7,12-19H2,(H,30,37)(H,32,33)(H,35,36)/t22-,23+/m1/s1" . "CCOC(=O)C(CC1(CCCC1)C(=O)NC1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1" . "CCOC(=O)[C@@H](CC1(CCCC1)C(=O)N[C@H]1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1" . "XMQODGUTLZXUGZ-RPBOFIJWSA-N" . "InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1" . "ONC(=O)C1N(CCSC1(C)C)S(=O)(=O)c1ccc(cc1)Oc1ccncc1" . "ONC(=O)[C@@H]1N(CCSC1(C)C)S(=O)(=O)c1ccc(cc1)Oc1ccncc1" . "YKPYIPVDTNNYCN-INIZCTEOSA-N" . "InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1" . "CC(=O)C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)O" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O" . "DIJBBUIOWGGQOP-QGVNFLHTSA-N" . "InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1" . "O=CNc1cnc(n(c1=O)CC(=O)NC(C(=O)C(=O)CCCOc1ccccn1)Cc1ccccc1)c1ccccc1" . "O=CNc1cnc(n(c1=O)CC(=O)NC(C(=O)C(=O)CCCOc1ccccn1)Cc1ccccc1)c1ccccc1" . "QOANBAXBOLUAFA-UHFFFAOYSA-N" . "InChI=1S/C31H29N5O6/c37-21-34-25-19-33-30(23-12-5-2-6-13-23)36(31(25)41)20-27(39)35-24(18-22-10-3-1-4-11-22)29(40)26(38)14-9-17-42-28-15-7-8-16-32-28/h1-8,10-13,15-16,19,21,24H,9,14,17-18,20H2,(H,34,37)(H,35,39)" . "SCC(C(=O)NC(C(=O)O)C)Cc1ccc2c(c1)OCO2" . "SC[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc2c(c1)OCO2" . "TXSINLUUGRGAJO-WCBMZHEXSA-N" . "InChI=1S/C14H17NO5S/c1-8(14(17)18)15-13(16)10(6-21)4-9-2-3-11-12(5-9)20-7-19-11/h2-3,5,8,10,21H,4,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m0/s1" . "CC(=O)SCC(C(=O)NC(C(=O)OCc1ccccc1)C)Cc1ccc2c(c1)OCO2" . "CC(=O)SC[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccc2c(c1)OCO2" . "KKBIUAUSZKGNOA-HNAYVOBHSA-N" . "InChI=1S/C23H25NO6S/c1-15(23(27)28-12-17-6-4-3-5-7-17)24-22(26)19(13-31-16(2)25)10-18-8-9-20-21(11-18)30-14-29-20/h3-9,11,15,19H,10,12-14H2,1-2H3,(H,24,26)/t15-,19+/m0/s1" . "OC(=O)C1(C)CC1" . "OC(=O)C1(C)CC1" . "DIZKLZKLNKQFGB-UHFFFAOYSA-N" . "InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)" . "CC(=CC)C(=O)O" . "C/C(=C/C)/C(=O)O" . "UIERETOOQGIECD-ONEGZZNKSA-N" . "InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+" . "Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C" . "Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C" . "GOHCTCOGYKAJLZ-UHFFFAOYSA-N" . "InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3" . "CCOC(=O)N1CCN(CC1)C(=O)C(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)C(=N)N" . "CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)C(=N)N" . "ISJSHQTWOHGCMM-NDEPHWFRSA-N" . "InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1" . "CCOC(=O)N1CCN(CC1)C(=O)C(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)C=NNO" . "CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)/C=N/NO" . "CYCFEEXTLQGJEL-XEOXDSMQSA-N" . "InChI=1S/C32H47N5O6S/c1-8-43-32(39)37-14-12-36(13-15-37)31(38)29(17-24-10-9-11-25(16-24)20-33-35-40)34-44(41,42)30-27(22(4)5)18-26(21(2)3)19-28(30)23(6)7/h9-11,16,18-23,29,34-35,40H,8,12-15,17H2,1-7H3/b33-20+/t29-/m0/s1" . "Cc1ncc2c(c1O)COP(=O)(OC2)O" . "Cc1ncc2c(c1O)COP(=O)(OC2)O" . "KCAJHODRYGNBSX-UHFFFAOYSA-N" . "InChI=1S/C8H10NO5P/c1-5-8(10)7-4-14-15(11,12)13-3-6(7)2-9-5/h2,10H,3-4H2,1H3,(H,11,12)" . "CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C" . "CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C" . "LIRYPHYGHXZJBZ-UHFFFAOYSA-N" . "InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)" . "Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C" . "Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C" . "BFSMGDJOXZAERB-UHFFFAOYSA-N" . "InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)" . "O=C(NC1COC1=O)CCc1ccccc1" . "O=C(N[C@H]1COC1=O)CCc1ccccc1" . "UUEMOTWYJKOUPP-JTQLQIEISA-N" . "InChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1" . "COCCOCC(C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=O)NC1CCC(CC1)C(=O)O" . "COCCOC[C@@H](C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O" . "ZTWZVMIYIIVABD-OEMFJLHTSA-N" . "InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1" . "COCCOCC(C(=O)O)CC1(CCCC1)C(=O)NC1CCC(CC1)C(=O)O" . "COCCOC[C@@H](C(=O)O)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O" . "ACZWIDANLCXHBM-HRCADAONSA-N" . "InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-,16+/m0/s1" . "OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C" . "OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C" . "LPGBXHWIQNZEJB-UHFFFAOYSA-N" . "InChI=1S/C23H21FO3/c1-16-2-7-18(8-3-16)22-12-9-20(24)14-19(22)15-27-21-10-4-17(5-11-21)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)" . "NC(=O)C(N(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1F)c1nocn1)CCC(F)(F)F" . "NC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1F)c1nocn1)CCC(F)(F)F" . "XEAOPVUAMONVLA-QGZVFWFLSA-N" . "InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1" . "OC(=O)CC(C(=O)N(c1scc(n1)c1cc(Cl)ccc1Cl)C1CC1)Cc1ccccc1" . "OC(=O)CC(C(=O)N(c1scc(n1)c1cc(Cl)ccc1Cl)C1CC1)Cc1ccccc1" . "LCRQPJWEPVZEBE-UHFFFAOYSA-N" . "InChI=1S/C23H20Cl2N2O3S/c24-16-6-9-19(25)18(12-16)20-13-31-23(26-20)27(17-7-8-17)22(30)15(11-21(28)29)10-14-4-2-1-3-5-14/h1-6,9,12-13,15,17H,7-8,10-11H2,(H,28,29)" . "OC(=O)CC(NC(=O)Cc1cccc(c1)Cl)Cc1ccc(cc1)C(F)(F)F" . "OC(=O)C[C@@H](NC(=O)Cc1cccc(c1)Cl)Cc1ccc(cc1)C(F)(F)F" . "QOSIJVVNNGXEKE-INIZCTEOSA-N" . "InChI=1S/C19H17ClF3NO3/c20-15-3-1-2-13(8-15)10-17(25)24-16(11-18(26)27)9-12-4-6-14(7-5-12)19(21,22)23/h1-8,16H,9-11H2,(H,24,25)(H,26,27)/t16-/m0/s1" . "COC1C(CCC2(C1C1(C)OC1CC=C(C)C)CO2)OC(=O)NCc1ccc(cc1)NC(=O)CCCC(=O)O" . "CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)NCc1ccc(cc1)NC(=O)CCCC(=O)O" . "HRLDHINFRLTOEQ-UZHVHHFFSA-N" . "InChI=1S/C29H40N2O8/c1-18(2)8-13-22-28(3,39-22)26-25(36-4)21(14-15-29(26)17-37-29)38-27(35)30-16-19-9-11-20(12-10-19)31-23(32)6-5-7-24(33)34/h8-12,21-22,25-26H,5-7,13-17H2,1-4H3,(H,30,35)(H,31,32)(H,33,34)/t21-,22-,25-,26-,28+,29+/m1/s1" . "CC#CC(c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O" . "CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O" . "ZOPNBMMVVZRSGH-NRFANRHFSA-N" . "InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1" . "CN(C(=O)COC(=O)Cc1ccc(cc1)OC(=O)c1ccc(cc1)N=C(N)N)C" . "CN(C(=O)COC(=O)Cc1ccc(cc1)OC(=O)c1ccc(cc1)N=C(N)N)C" . "XASIMHXSUQUHLV-UHFFFAOYSA-N" . "InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)" . "OC(=O)CC1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C" . "OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C" . "BZCALJIHZVNMGJ-HSZRJFAPSA-N" . "InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1" . "N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O" . "N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O" . "KIZUBVPJNPVIIN-UHFFFAOYSA-N" . "InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)" . "OCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C1C(=O)NO)(C)C" . "OCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC([C@@H]1C(=O)NO)(C)C" . "MAVDNGWEBZTACC-HNNXBMFYSA-N" . "InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1" . "O=N(=O)c1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1" . "O=N(=O)c1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1" . "GZONLGPIHCCJOI-UHFFFAOYSA-N" . "InChI=1S/C20H16N2O4/c23-22(24)16-7-11-20(21-13-16)25-17-8-10-19-15(12-17)6-9-18(26-19)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2" . "CC(c1ccc2c(c1)C1C=CCC1C(N2)c1cc2OCOc2cc1Br)C" . "CC(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cc2OCOc2cc1Br)C" . "QTOCPACSSHFGOY-ZCCHDVMBSA-N" . "InChI=1S/C22H22BrNO2/c1-12(2)13-6-7-19-16(8-13)14-4-3-5-15(14)22(24-19)17-9-20-21(10-18(17)23)26-11-25-20/h3-4,6-10,12,14-15,22,24H,5,11H2,1-2H3/t14-,15+,22-/m1/s1" . "Cc1cnc(c(n1)C(=O)Nc1ccccn1)N" . "Cc1cnc(c(n1)C(=O)Nc1ccccn1)N" . "NAQODRYELYCKDS-UHFFFAOYSA-N" . "InChI=1S/C11H11N5O/c1-7-6-14-10(12)9(15-7)11(17)16-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)(H,13,16,17)" . "N#CC1(CC1)NC(=O)C(CC(F)(C)C)NC(C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C" . "N#CC1(CC1)NC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C" . "FWIVDMJALNEADT-SFTDATJTSA-N" . "InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1" . "O=C(c1cc(c(n(c1=O)c1cccc(c1)C(F)(F)F)C)c1ccnn1C)NCc1ccc(cn1)S(=O)(=O)C" . "O=C(c1cc(c(n(c1=O)c1cccc(c1)C(F)(F)F)C)c1ccnn1C)NCc1ccc(cn1)S(=O)(=O)C" . "QNQZWEGMKJBHEM-UHFFFAOYSA-N" . "InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)" . "Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)C12COCC2CSC(=N1)N)F" . "Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]12COC[C@H]2CSC(=N1)N)F" . "NIDRNVHMMDAAIK-YPMLDQLKSA-N" . "InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1" . "COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)OC)CC" . "CO[C@@H]1CC[C@@H](CC1)C(=O)c1ccc2c(c1)cc(c(n2)OC)CC" . "IOCYQQQCJYMWDT-KDYLLFBJSA-N" . "InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3/t14-,17+" . "c1ccc2c(c1)Cc1ccccc1C=N2" . "c1ccc2c(c1)Cc1ccccc1C=N2" . "IDWNSAXOQLJYOF-UHFFFAOYSA-N" . "InChI=1S/C14H11N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,10H,9H2" . "c1ccc2c(c1)Oc1ccccc1C=N2" . "c1ccc2c(c1)Oc1ccccc1C=N2" . "NPUACKRELIJTFM-UHFFFAOYSA-N" . "InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H" . "Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)c(F)ccc2)NC(=O)c1ccccn1" . "Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)c(F)ccc2)NC(=O)c1ccccn1" . "WBXKMHFMMCOTOK-UHFFFAOYSA-N" . "InChI=1S/C21H13ClFN3O3/c22-13-7-8-16(25-19(27)17-6-1-2-9-24-17)12(10-13)11-26-20(28)14-4-3-5-15(23)18(14)21(26)29/h1-10H,11H2,(H,25,27)" . "CCC(C(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N)CCCNC(=N)N)CC(=O)N)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C" . "CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N)CCCNC(=N)N)CC(=O)N)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C" . "OIRCOABEOLEUMC-GEJPAHFPSA-N" . "InChI=1S/C98H138N24O33/c1-5-52(4)82(96(153)122-39-15-23-70(122)92(149)114-60(30-34-79(134)135)85(142)111-59(29-33-78(132)133)86(143)116-64(43-55-24-26-56(123)27-25-55)89(146)118-67(97(154)155)40-51(2)3)119-87(144)61(31-35-80(136)137)112-84(141)58(28-32-77(130)131)113-88(145)63(42-54-18-10-7-11-19-54)117-90(147)66(45-81(138)139)110-76(129)50-107-83(140)65(44-71(100)124)109-75(128)49-106-73(126)47-104-72(125)46-105-74(127)48-108-91(148)68-21-13-38-121(68)95(152)62(20-12-36-103-98(101)102)115-93(150)69-22-14-37-120(69)94(151)57(99)41-53-16-8-6-9-17-53/h6-11,16-19,24-27,51-52,57-70,82,123H,5,12-15,20-23,28-50,99H2,1-4H3,(H2,100,124)(H,104,125)(H,105,127)(H,106,126)(H,107,140)(H,108,148)(H,109,128)(H,110,129)(H,111,142)(H,112,141)(H,113,145)(H,114,149)(H,115,150)(H,116,143)(H,117,147)(H,118,146)(H,119,144)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,154,155)(H4,101,102,103)/t52-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,82-/m0/s1" . "O=C(N1CC(CC1C(=O)O)C1CCCCC1)CP(=O)(CCCCc1ccccc1)O" . "O=C(N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)CP(=O)(CCCCc1ccccc1)O" . "WOIWWYDXDVSWAZ-RTWAWAEBSA-N" . "InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1" . "C=CC(c1ccc(cc1)OC(=O)C)OC(=O)C" . "C=C[C@@H](c1ccc(cc1)OC(=O)C)OC(=O)C" . "JAMQIUWGGBSIKZ-ZDUSSCGKSA-N" . "InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CO)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)CCC(=O)N)CC(=O)N)CCCCN)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CC(C)C)N)Cc2ccc(cc2)O)CC(=O)O)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)N)CCC(=O)N)CO)CC(C)C)C(C)C)CCC(=O)O" . 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"XYWBJDRHGNULKG-OUMQNGNKSA-N" . "NC(=O)CI" . "NC(=O)CI" . "PGLTVOMIXTUURA-UHFFFAOYSA-N" . "InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)" . "CCC(=O)OC(C(C)C)OP(=O)(CC(=O)N1CC(CC1C(=O)O)C1CCCCC1)CCCCc1ccccc1" . "CCC(=O)O[C@H](C(C)C)O[P@@](=O)(CC(=O)N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)CCCCc1ccccc1" . "BIDNLKIUORFRQP-XYGFDPSESA-N" . "InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1" . "CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(C(=O)O)CCc1ccccc1" . "C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1" . "AHYHTSYNOHNUSH-HXFGRODQSA-N" . "InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1" . "CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1" . "VXFJYXUZANRPDJ-WTNASJBWSA-N" . "InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1" . "Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1" . "Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1" . "LZXMUJCJAWVHPZ-UHFFFAOYSA-N" . "InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2" . "Clc1nccc(n1)NC(=O)c1nc(n(c1C)c1ccccc1)C" . "Clc1nccc(n1)NC(=O)c1nc(n(c1C)c1ccccc1)C" . "YCJZWBZJSYLMPB-UHFFFAOYSA-N" . "InChI=1S/C16H14ClN5O/c1-10-14(15(23)20-13-8-9-18-16(17)21-13)19-11(2)22(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21,23)" . "N#Cc1cc(F)cc(c1)c1ccc2c(c1)nc(cc2)C" . "N#Cc1cc(F)cc(c1)c1ccc2c(c1)nc(cc2)C" . "SDOLISUYGVMVBK-UHFFFAOYSA-N" . "InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3" . "COc1cc(C#N)cc(c1)c1ncc2c(n1)nc(cc2)C" . "COc1cc(C#N)cc(c1)c1ncc2c(n1)nc(cc2)C" . "NGRPBCOEAPBKCI-UHFFFAOYSA-N" . "InChI=1S/C16H12N4O/c1-10-3-4-12-9-18-15(20-16(12)19-10)13-5-11(8-17)6-14(7-13)21-2/h3-7,9H,1-2H3" . "N#Cc1cc(F)cc(c1)c1ccc2c(c1)NC(S2)C" . "N#Cc1cc(F)cc(c1)c1ccc2c(c1)NC(S2)C" . "DUFLWBPOXGXKEK-UHFFFAOYSA-N" . "InChI=1S/C15H11FN2S/c1-9-18-14-7-11(2-3-15(14)19-9)12-4-10(8-17)5-13(16)6-12/h2-7,9,18H,1H3" . "OC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)OC(=O)C(C)(C)C" . "OC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)OC(=O)C(C)(C)C" . "BTGNGJJLZOIYID-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)" . "N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N" . "N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N" . "PBVKGEMPZBKZOA-UHFFFAOYSA-N" . "InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H" . "N#Cc1cc(F)cc(c1)c1onc(n1)c1ccc(cn1)F" . "N#Cc1cc(F)cc(c1)c1onc(n1)c1ccc(cn1)F" . "RBSPCALDSNXWEP-UHFFFAOYSA-N" . "InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H" . "N#Cc1cnc(nc1c1ccc(cc1)F)Nc1nc2c(o1)cccc2" . "N#Cc1cnc(nc1c1ccc(cc1)F)Nc1nc2c(o1)cccc2" . "OBFRNKSPNQSVFR-UHFFFAOYSA-N" . "InChI=1S/C18H10FN5O/c19-13-7-5-11(6-8-13)16-12(9-20)10-21-17(23-16)24-18-22-14-3-1-2-4-15(14)25-18/h1-8,10H,(H,21,22,23,24)" . "N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl" . "N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl" . "FNDUFJARTKDXEF-UHFFFAOYSA-N" . "InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)" . "N#Cc1cc(F)cc(c1)C(=O)Nc1scc(n1)C" . "N#Cc1cc(F)cc(c1)C(=O)Nc1scc(n1)C" . "KTQZJPKEGPXLRL-UHFFFAOYSA-N" . "InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)" . "O=C(OC(c1sc2n(c1C)ncn2)C)Nc1ccccc1" . "O=C(O[C@@H](c1sc2n(c1C)ncn2)C)Nc1ccccc1" . "AOUUMBPBMVOBSP-SNVBAGLBSA-N" . "InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1" . "FCc1scc(n1)C#Cc1cc(F)cc(c1)C#N" . "FCc1scc(n1)C#Cc1cc(F)cc(c1)C#N" . "WTLBLIGPXACYET-UHFFFAOYSA-N" . "InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2" . "Fc1ccc(cc1)C(=O)N1CC(CCC1C)c1noc(n1)c1ccc(cn1)F" . "Fc1ccc(cc1)C(=O)N1C[C@H](CC[C@H]1C)c1noc(n1)c1ccc(cn1)F" . "JOBPCEDWVKYVKZ-OCCSQVGLSA-N" . "InChI=1S/C20H18F2N4O2/c1-12-2-3-14(11-26(12)20(27)13-4-6-15(21)7-5-13)18-24-19(28-25-18)17-9-8-16(22)10-23-17/h4-10,12,14H,2-3,11H2,1H3/t12-,14+/m1/s1" . "COc1ccc(cc1)Cn1c(NCCNC(=N)NC(=O)c2ccc(cc2)F)nc(=O)n(c1=O)Cc1ccc(cc1)F" . "COc1ccc(cc1)Cn1c(NCCNC(=N)NC(=O)c2ccc(cc2)F)nc(=O)n(c1=O)Cc1ccc(cc1)F" . "XZNHZFUKGYYVMQ-UHFFFAOYSA-N" . "InChI=1S/C28H27F2N7O4/c1-41-23-12-4-19(5-13-23)16-36-26(35-27(39)37(28(36)40)17-18-2-8-21(29)9-3-18)33-15-14-32-25(31)34-24(38)20-6-10-22(30)11-7-20/h2-13H,14-17H2,1H3,(H,33,35,39)(H3,31,32,34,38)" . "CC(=O)C=C1c2ccccc2N(C1=O)C" . "CC(=O)/C=C/1/c2ccccc2N(C1=O)C" . "CZKBLHCEDVWPRN-JXMROGBWSA-N" . "InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7+" . "COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)F" . "COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)F" . "INQAREWWDULMAD-UHFFFAOYSA-N" . "InChI=1S/C21H24FN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)" . "C#Cc1cc(F)cc(c1)N1CCCc2c(C1)nc(o2)c1ccccn1" . "C#Cc1cc(F)cc(c1)N1CCCc2c(C1)nc(o2)c1ccccn1" . "MVXAKOGJWVQPKC-UHFFFAOYSA-N" . "InChI=1S/C20H16FN3O/c1-2-14-10-15(21)12-16(11-14)24-9-5-7-19-18(13-24)23-20(25-19)17-6-3-4-8-22-17/h1,3-4,6,8,10-12H,5,7,9,13H2" . "CCC1CCCCN1C(=O)c1cnc(c(c1)Cl)Nc1ccc(nc1)C" . "CC[C@@H]1CCCCN1C(=O)c1cnc(c(c1)Cl)Nc1ccc(nc1)C" . "QABUURICQJOWID-MRXNPFEDSA-N" . "InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1" . "FC(Oc1ccc(cc1C#Cc1ccccn1)C(=O)N1Cc2c(C1)cccn2)F" . "FC(Oc1ccc(cc1C#Cc1ccccn1)C(=O)N1Cc2c(C1)cccn2)F" . "JITMSIRHBAVREW-UHFFFAOYSA-N" . "InChI=1S/C22H15F2N3O2/c23-22(24)29-20-9-7-16(12-15(20)6-8-18-5-1-2-10-25-18)21(28)27-13-17-4-3-11-26-19(17)14-27/h1-5,7,9-12,22H,13-14H2" . "COc1cc(ccc1c1ccccn1)c1nc2n(c1)cccc2" . "COc1cc(ccc1c1ccccn1)c1nc2n(c1)cccc2" . "DNCGFJANVDVZIZ-UHFFFAOYSA-N" . "InChI=1S/C19H15N3O/c1-23-18-12-14(8-9-15(18)16-6-2-4-10-20-16)17-13-22-11-5-3-7-19(22)21-17/h2-13H,1H3" . "COc1cc(ccc1c1ccccn1)C1Nc2c(O1)cccc2" . "COc1cc(ccc1c1ccccn1)C1Nc2c(O1)cccc2" . "DNFFCLRSKDXRKM-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O2/c1-22-18-12-13(9-10-14(18)15-6-4-5-11-20-15)19-21-16-7-2-3-8-17(16)23-19/h2-12,19,21H,1H3" . "COc1cncc(c1)C#Cc1ccccn1" . "C([3H])(Oc1cncc(c1)C#Cc1ccccn1)([3H])[3H]" . "VRTFKUFTEWQHDD-RLXJOQACSA-N" . "InChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3/i1T3" . "N#Cc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1" . "N#Cc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1" . "LTPGKAICNBCBPT-UHFFFAOYSA-N" . "InChI=1S/C20H21N3O2/c21-14-18-8-4-5-9-19(18)22-10-12-23(13-11-22)20(24)16-25-15-17-6-2-1-3-7-17/h1-9H,10-13,15-16H2" . "OC1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1cccc(c1)F" . "OC1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1cccc(c1)F" . "ZKKOJUZGUBLAJQ-UHFFFAOYSA-N" . "InChI=1S/C19H17FN2O2/c20-16-3-1-2-14(12-16)4-6-17-7-5-15(13-21-17)19(24)22-10-8-18(23)9-11-22/h1-3,5,7,12-13,18,23H,8-11H2" . "O=C1NCCc2c1ccc(c2)C#Cc1ccccc1" . "O=C1NCCc2c1ccc(c2)C#Cc1ccccc1" . "BOVJHNHRQNCDEQ-UHFFFAOYSA-N" . "InChI=1S/C17H13NO/c19-17-16-9-8-14(12-15(16)10-11-18-17)7-6-13-4-2-1-3-5-13/h1-5,8-9,12H,10-11H2,(H,18,19)" . "OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1" . "OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1" . "FPDBSDNGFNDSSK-UHFFFAOYSA-N" . "InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2" . "Fc1ccc(cc1)n1c(C)nc(c1C)C(=O)Nc1cccc(n1)C" . "Fc1ccc(cc1)n1c(C)nc(c1C)C(=O)Nc1cccc(n1)C" . "YQFYIHPLHNEXNE-UHFFFAOYSA-N" . "InChI=1S/C18H17FN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)" . "CCCc1cccc(n1)c1c(snc1c1ccc2c(c1)cn(n2)C)NC(=O)C1CC1C" . "CCCc1cccc(n1)c1c(snc1c1ccc2c(c1)cn(n2)C)NC(=O)[C@@H]1C[C@H]1C" . "DMJNZMXZSQWBRT-RDTXWAMCSA-N" . "InChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)/t14-,18-/m1/s1" . "CCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C" . "CCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C" . "ZROLHBHDLIHEMS-HUUCEWRRSA-N" . "InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1" . "CC(=C)C1CC=C(C(C1)O)C" . "CC(=C)C1CC=C(C(C1)O)C" . "BAVONGHXFVOKBV-UHFFFAOYSA-N" . "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3" . "Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)COCc1ccncc1" . "Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)COCc1ccncc1" . "XNOMHUDLVRWWLV-UHFFFAOYSA-N" . "InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2" . "CC(=C)C1CCC(C(C1)O)C" . "CC(=C)C1CCC(C(C1)O)C" . "KRCZYMFUWVJCLI-UHFFFAOYSA-N" . "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3" . "Fc1cccc(c1)C#Cc1ccc(nc1)C(=O)NC(C(O)(C)C)C" . "Fc1cccc(c1)C#Cc1ccc(nc1)C(=O)N[C@@H](C(O)(C)C)C" . "ZPKZAFDYFVJULO-CYBMUJFWSA-N" . "InChI=1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-13,24H,1-3H3,(H,22,23)/t13-/m1/s1" . "Fc1cccc(c1)COc1ccc(cn1)C(=O)NC(C(C)(C)C)C" . "Fc1cccc(c1)COc1ccc(cn1)C(=O)N[C@@H](C(C)(C)C)C" . "VOYBJCDMLJODRK-CYBMUJFWSA-N" . "InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1" . "COc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)Cl" . "COc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)Cl" . "OVFMMJNKICPJJH-UHFFFAOYSA-N" . "InChI=1S/C16H17ClN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)" . "Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C" . "Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C" . "GOHCTCOGYKAJLZ-UHFFFAOYSA-N" . "InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3" . "Clc1cccc(c1)c1ncc(c(c1)C)C1CCCN1C(=O)c1nccs1" . "Clc1cccc(c1)c1ncc(c(c1)C)[C@H]1CCCN1C(=O)c1nccs1" . "GCSDBTCZHROCLZ-GOSISDBHSA-N" . "InChI=1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3/t18-/m1/s1" . "CN1CCOc2c1ncc(c2)COc1ccccc1" . "CN1CCOc2c1ncc(c2)COc1ccccc1" . "XAGOQHLVLYAAMO-UHFFFAOYSA-N" . "InChI=1S/C15H16N2O2/c1-17-7-8-18-14-9-12(10-16-15(14)17)11-19-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3" . "Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1" . "Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1" . "AYQCZQKMGKDZPS-UHFFFAOYSA-N" . "InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2" . "Cc1ccc(cc1)S(=O)(=O)n1nccc1c1c(C)onc1c1ccc(cc1)Cl" . "Cc1ccc(cc1)S(=O)(=O)n1nccc1c1c(C)onc1c1ccc(cc1)Cl" . "WFFKVDICECGSHN-UHFFFAOYSA-N" . "InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3" . "O=C(c1ccc(cc1)N(=O)=O)Nc1cc(nn1c1ccccc1)c1ccccc1" . "O=C(c1ccc(cc1)N(=O)=O)Nc1cc(nn1c1ccccc1)c1ccccc1" . "KIALCSMRIHRFPL-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)" . "Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1" . "Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1" . "WKLZNTYMDOPBSE-UHFFFAOYSA-N" . "InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3" . "CCOc1ccc(cc1c1nc(=O)c2c([nH]1)c(nn2C)C(C)(C)C)S(=O)(=O)NC(C)(C)C" . "CCOc1ccc(cc1c1nc(=O)c2c([nH]1)c(nn2C)C(C)(C)C)S(=O)(=O)NC(C)(C)C" . "VMVZVLPMWCBOFI-UHFFFAOYSA-N" . "InChI=1S/C22H31N5O4S/c1-9-31-15-11-10-13(32(29,30)26-22(5,6)7)12-14(15)19-23-16-17(20(28)24-19)27(8)25-18(16)21(2,3)4/h10-12,26H,9H2,1-8H3,(H,23,24,28)" . "Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1" . "Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1" . "NEMHWVUKNWAKTM-UHFFFAOYSA-N" . "InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)" . "CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1F)F" . "CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1F)F" . "AHCYOTLTLQTPSU-UHFFFAOYSA-N" . "InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)" . "N#Cc1cc(F)cc(c1)c1onc(n1)c1ccccn1" . "N#Cc1cc(F)cc(c1)c1onc(n1)c1ccccn1" . "GELAFISMURFRCA-UHFFFAOYSA-N" . "InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H" . "Cc1ccc(nc1)C#Cc1cncc(c1)Br" . "Cc1ccc(nc1)C#Cc1cncc(c1)Br" . "IHHBVGZPZBDKRA-UHFFFAOYSA-N" . "InChI=1S/C13H9BrN2/c1-10-2-4-13(16-7-10)5-3-11-6-12(14)9-15-8-11/h2,4,6-9H,1H3" . "COc1cccc(c1)C#Cc1ccc(cn1)C" . "COc1cccc(c1)C#Cc1ccc(cn1)C" . "CCQPQKFLWKYOMJ-UHFFFAOYSA-N" . "InChI=1S/C15H13NO/c1-12-6-8-14(16-11-12)9-7-13-4-3-5-15(10-13)17-2/h3-6,8,10-11H,1-2H3" . "Fc1ccc(cc1)c1noc(n1)C1CCn2c(C1)nnc2C(C)(C)C" . "Fc1ccc(cc1)c1noc(n1)[C@H]1CCn2c(C1)nnc2C(C)(C)C" . "NPRJTKMKUYJGAL-LBPRGKRZSA-N" . "InChI=1S/C18H20FN5O/c1-18(2,3)17-22-21-14-10-12(8-9-24(14)17)16-20-15(23-25-16)11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1" . "CC(NC(=O)c1ccc(cn1)C#Cc1ccncc1)C" . "CC(NC(=O)c1ccc(cn1)C#Cc1ccncc1)C" . "STAFRSGTRKNXHF-UHFFFAOYSA-N" . "InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)" . "N#Cc1cc(NC(=O)Nc2ccc(cn2)Cl)cc(c1)F" . "N#Cc1cc(NC(=O)Nc2ccc(cn2)Cl)cc(c1)F" . "KDANLHLWAYNCMV-UHFFFAOYSA-N" . "InChI=1S/C13H8ClFN4O/c14-9-1-2-12(17-7-9)19-13(20)18-11-4-8(6-16)3-10(15)5-11/h1-5,7H,(H2,17,18,19,20)" . "CC(N1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1F)C" . "CC(N1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1[18F])C" . "ZUWMBBZBDLJVHD-LRFGSCOBSA-N" . "InChI=1S/C19H18FN5O/c1-11(2)24-10-14-9-13(6-7-15(14)19(24)26)17-12(3)25(23-22-17)16-5-4-8-21-18(16)20/h4-9,11H,10H2,1-3H3/i20-1" . "CC(CC(B(O)O)NC(=O)C(NC(=O)c1cnccn1)Cc1ccccc1)C" . "CC(C[C@@H](B(O)O)NC(=O)[C@@H](NC(=O)c1cnccn1)Cc1ccccc1)C" . "GXJABQQUPOEUTA-RDJZCZTQSA-N" . "InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1" . "COc1ccc(cc1)n1nc(c2c1C(=O)N(CC2)c1ccc(cc1)N1CCCCC1=O)C(=O)N" . "COc1ccc(cc1)n1nc(c2c1C(=O)N(CC2)c1ccc(cc1)N1CCCCC1=O)C(=O)N" . "QNZCBYKSOIHPEH-UHFFFAOYSA-N" . "InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)" . "Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1" . "Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1" . "RXDWTDRPUXJDPY-UHFFFAOYSA-N" . "InChI=1S/C15H17ClN2O2S2/c16-14-8-9-15(21-14)22(19,20)17-12-6-2-3-7-13(12)18-10-4-1-5-11-18/h2-3,6-9,17H,1,4-5,10-11H2" . "O=C1OC(CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl" . "O=C1O[C@H](CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl" . "KGFYHTZWPPHNLQ-AWEZNQCLSA-N" . "InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1" . "CC1=CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2" . "CC1=CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2" . "WKXGGFCOIKORMM-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-12H,13H2,1-3H3" . "CC1CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2" . "CC1CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2" . "KDDHBJICVBONAX-UHFFFAOYSA-N" . "InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3" . "CCOC(=O)NC(=O)C1CC(C)CCC1C(C)C" . "CCOC(=O)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C" . "AOTWCRSILVRYCS-GRYCIOLGSA-N" . "InChI=1S/C14H25NO3/c1-5-18-14(17)15-13(16)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,16,17)/t10-,11+,12-/m1/s1" . "NC(=NCCCC(C(=O)N1CCC(CC1C(=O)O)C)NS(=O)(=O)c1cccc2c1NCC(C2)C)N" . "NC(=NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c1cccc2c1NCC(C2)C)N" . "KXNPVXPOPUZYGB-IOVMHBDKSA-N" . "InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1" . "OC(=O)CNC(C(=O)N1CCC1C(=O)NCc1ccc(cc1)C(=N)N)C1CCCCC1" . "OC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)C1CCCCC1" . "DKWNMCUOEDMMIN-PKOBYXMFSA-N" . "InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1" . "CCOC(=O)CNC(C(=O)N1CCC1C(=O)NCc1ccc(cc1)C(=NO)N)C1CCCCC1" . "CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)/C(=N/O)/N)C1CCCCC1" . "ZXIBCJHYVWYIKI-PZJWPPBQSA-N" . "InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1" . "OC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C(=N)N)c1ccccn1" . "OC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C(=N)N)c1ccccn1" . "YBSJFWOBGCMAKL-UHFFFAOYSA-N" . "InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)" . "CCCCCCOC(=O)N=C(c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC)N" . "CCCCCCOC(=O)/N=C(/c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC)/N" . "KSGXQBZTULBEEQ-UHFFFAOYSA-N" . "InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)" . "CC(C(=O)N1C(=O)N(CC1C(=O)O)C)NC(C(=O)O)CCc1ccccc1" . "C[C@@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)N[C@H](C(=O)O)CCc1ccccc1" . "VFAVNRVDTAPBNR-UBHSHLNASA-N" . "InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1" . "CCOC(=O)C(NC(C(=O)N1C(=O)N(CC1C(=O)O)C)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)C)CCc1ccccc1" . "KLZWOWYOHUKJIG-BPUTZDHNSA-N" . "InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1" . "NCCN(C(=O)c1cccs1)Cc1ccc(c(c1)OC)OCc1ccccc1" . "NCCN(C(=O)c1cccs1)Cc1ccc(c(c1)OC)OCc1ccccc1" . "UOGGWHBYFVBUIY-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O3S/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21/h2-10,13-14H,11-12,15-16,23H2,1H3" . "OC(=O)CN1C(=O)C(CCc2c1cccc2)NC(C(=O)O)CCc1ccccc1" . "OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1" . "MADRIHWFJGRSBP-ROUUACIJSA-N" . "InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1" . "CCOC(=O)C(NC1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H]1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1" . "XPCFTKFZXHTYIP-PMACEKPBSA-N" . "InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1" . "CCCC(C(=O)O)NC(C(=O)N1C2CCCCC2CC1C(=O)O)C" . "CCC[C@@H](C(=O)O)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C" . "ODAIHABQVKJNIY-PEDHHIEDSA-N" . "InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1" . "N#Cc1cc(OCc2ccnc(c2)C)nc(c1)Cl" . "N#Cc1cc(OCc2ccnc(c2)C)nc(c1)Cl" . "MWMMUKIHNXXNGW-UHFFFAOYSA-N" . "InChI=1S/C13H10ClN3O/c1-9-4-10(2-3-16-9)8-18-13-6-11(7-15)5-12(14)17-13/h2-6H,8H2,1H3" . "N#Cc1cc(C)cc(n1)OCc1cccc(c1)Cl" . "N#Cc1cc(C)cc(n1)OCc1cccc(c1)Cl" . "IUJVMCIYVKHYBF-UHFFFAOYSA-N" . "InChI=1S/C14H11ClN2O/c1-10-5-13(8-16)17-14(6-10)18-9-11-3-2-4-12(15)7-11/h2-7H,9H2,1H3" . "NCCN(C(=O)OC(c1ccccc1)C)Cc1ccc(c(c1)OC)OCc1ccccc1" . "NCCN(C(=O)O[C@@H](c1ccccc1)C)Cc1ccc(c(c1)OC)OCc1ccccc1" . "URRBLVUOXIGNQR-HXUWFJFHSA-N" . "InChI=1S/C26H30N2O4/c1-20(23-11-7-4-8-12-23)32-26(29)28(16-15-27)18-22-13-14-24(25(17-22)30-2)31-19-21-9-5-3-6-10-21/h3-14,17,20H,15-16,18-19,27H2,1-2H3/t20-/m1/s1" . "CC1CCC(C(C1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(C)C" . "C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(C)C" . "IIVDSKOVPRNBND-AYOQOUSVSA-N" . "InChI=1S/C21H28N4O3S/c1-14(2)18-10-5-15(3)13-19(18)20(26)24-16-6-8-17(9-7-16)29(27,28)25-21-22-11-4-12-23-21/h4,6-9,11-12,14-15,18-19H,5,10,13H2,1-3H3,(H,24,26)(H,22,23,25)/t15-,18+,19-/m1/s1" . "CCCC(C(=O)OCC)NC(C(=O)N1C2CCCCC2CC1C(=O)O)C" . "CCC[C@@H](C(=O)OCC)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C" . "IPVQLZZIHOAWMC-QXKUPLGCSA-N" . "InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1" . "CC(=O)NC1CCCC2(C1)CN=C(O2)c1cccc(c1)Cl" . "CC(=O)N[C@H]1CCC[C@@]2(C1)CN=C(O2)c1cccc(c1)Cl" . "NFPUARSXIMWASK-GOEBONIOSA-N" . "InChI=1S/C16H19ClN2O2/c1-11(20)19-14-6-3-7-16(9-14)10-18-15(21-16)12-4-2-5-13(17)8-12/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,19,20)/t14-,16+/m0/s1" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ncn1)NC1CC1" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ncn1)NC1CC1" . "DBUMITZHDMTTNX-UHFFFAOYSA-N" . "InChI=1S/C18H15N5O2S/c1-25-12-6-4-11(5-7-12)23-9-21-14-13-16(22-10-2-3-10)19-8-20-17(13)26-15(14)18(23)24/h4-10H,2-3H2,1H3,(H,19,20,22)" . "CCCOC(=O)c1[nH]c(c(c1C)C(=O)OCC(C)(C)C)C" . "CCCOC(=O)c1[nH]c(c(c1C)C(=O)OCC(C)(C)C)C" . "JFOGEVBSXYRAFN-UHFFFAOYSA-N" . "InChI=1S/C16H25NO4/c1-7-8-20-15(19)13-10(2)12(11(3)17-13)14(18)21-9-16(4,5)6/h17H,7-9H2,1-6H3" . "CC(N(C(=O)N1CCC(=CC1)c1nnn(c1C)c1cccnc1F)C)C" . "CC(N(C(=O)N1CCC(=CC1)c1nnn(c1C)c1cccnc1F)C)C" . "CJTLKLBSIFQKNT-UHFFFAOYSA-N" . "InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3" . "COc1ccc(c(c1)F)n1cnc2c(c1=O)sc1c2c(ncn1)N(C)C" . "COc1ccc(c(c1)F)n1cnc2c(c1=O)sc1c2c(ncn1)N(C)C" . "XUSKBQJCEPMVBM-UHFFFAOYSA-N" . "InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3" . "COCCN(Cc1ccc2c(c1)nc1n2cc(s1)C(=O)N(C1CCCCC1)C)C" . "COCCN(Cc1ccc2c(c1)nc1n2cc(s1)C(=O)N(C1CCCCC1)C)C" . "YDAIWUAWYILYPH-UHFFFAOYSA-N" . "InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-19-18(13-16)23-22-26(19)15-20(29-22)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3" . "NCCCCC(C(=O)N1CCCC1C(=O)O)NC(C(=O)O)CCc1ccccc1" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1" . "RLAWWYSOJDYHDC-BZSNNMDCSA-N" . "InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1" . "CC(=O)OCC(=CCC(C1=COC(C2C1CCC(=CCCC2=C)C)OC(=O)C)OC(=O)C)C" . "CC(=O)OC/C(=C/C[C@@H](C1=CO[C@@H]([C@@H]2[C@@H]1CCC(=CCCC2=C)C)OC(=O)C)OC(=O)C)/C" . "DCZJIZRGTZFSQY-JQIWXNGPSA-N" . "InChI=1S/C26H36O7/c1-16-8-7-9-18(3)25-22(12-10-16)23(15-31-26(25)33-21(6)29)24(32-20(5)28)13-11-17(2)14-30-19(4)27/h8,11,15,22,24-26H,3,7,9-10,12-14H2,1-2,4-6H3/b16-8-,17-11+/t22-,24+,25+,26-/m1/s1" . "Cc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O" . "Cc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O" . "DYTMNPUOZGPWQA-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O2/c1-12-9-16-15(14-7-8-20-19(22)18(14)21-16)10-17(12)23-11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)" . "COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1" . "COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1" . "ZUUBRGCTXRXCLV-UHFFFAOYSA-N" . "InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22)" . "COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)N(C)C" . "COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)N(C)C" . "KBKYZXCTHJUCOC-UHFFFAOYSA-N" . "InChI=1S/C19H17N3O2S/c1-21(2)15-8-10-20-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-3)7-5-12/h4-11H,1-3H3" . "Brc1c(ccc2c1nccn2)NC1=NCCN1" . "Brc1c(ccc2c1nccn2)NC1=NCCN1" . "XYLJNLCSTIOKRM-UHFFFAOYSA-N" . "InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(cnc1)N(C)C" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(cnc1)N(C)C" . "LPWKFUVWWQYLOD-UHFFFAOYSA-N" . "InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-16-15-13(21(2)3)8-19-9-14(15)24-17(16)18(22)23/h4-10H,1-3H3" . "CN(c1ccnc2c1c1ncn(c(=O)c1s2)C1CCCCCC1)C" . "CN(c1ccnc2c1c1ncn(c(=O)c1s2)C1CCCCCC1)C" . "WOADNNTWYZOWNV-UHFFFAOYSA-N" . "InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3" . "Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2" . "Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2" . "RTUBNVSZHGWRCV-UHFFFAOYSA-N" . "InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3" . "OC(=O)C(NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1" . "OC(=O)[C@@H](N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C)CCc1ccccc1" . "FLSLEGPOVLMJMN-YSSFQJQWSA-N" . "InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1" . "C1CCCC(CC1)Nc1ncnc2c1cc(OCCN1CCOCC1)nc2" . "C1CCCC(CC1)Nc1ncnc2c1cc(OCCN1CCOCC1)nc2" . "OGIVDFLCEHDQBN-UHFFFAOYSA-N" . "InChI=1S/C20H29N5O2/c1-2-4-6-16(5-3-1)24-20-17-13-19(21-14-18(17)22-15-23-20)27-12-9-25-7-10-26-11-8-25/h13-16H,1-12H2,(H,22,23,24)" . "O=C=NCCCCCCN=C=O" . "O=C=NCCCCCCN=C=O" . "RRAMGCGOFNQTLD-UHFFFAOYSA-N" . "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" . "CN=C=O" . "CN=C=O" . "HAMGRBXTJNITHG-UHFFFAOYSA-N" . "InChI=1S/C2H3NO/c1-3-2-4/h1H3" . "CCOC(=O)C(NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C)CCc1ccccc1" . "JSDRRTOADPPCHY-HSQYWUDLSA-N" . "InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1" . "OCCOCCNc1ncc2c(c1)c(ncn2)NC1Cc2c(C1)cccc2" . "OCCOCCNc1ncc2c(c1)c(ncn2)NC1Cc2c(C1)cccc2" . "QFBGUCZGHVJUGC-UHFFFAOYSA-N" . "InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)" . "CC1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl" . "C[C@@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl" . "LFUPTQIEOBBAJE-SECBINFHSA-N" . "InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1" . "O=C(Nc1ccc2c(c1)OCCO2)C=Cc1ccc(cc1)C(C)(C)C" . "O=C(Nc1ccc2c(c1)OCCO2)/C=C/c1ccc(cc1)C(C)(C)C" . "GZTFUVZVLYUPRG-IZZDOVSWSA-N" . "InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+" . "Clc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1" . "Clc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1" . "FODONWGPMXPGNC-UHFFFAOYSA-N" . "InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1" . "KUCDOJMOTMEEOF-UHFFFAOYSA-N" . "InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3" . "OC(=O)C(NC(C(=O)N1C2CCCC2CC1C(=O)O)C)CCc1ccccc1" . "OC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)C)CCc1ccccc1" . "KEDYTOTWMPBSLG-HILJTLORSA-N" . "InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1" . "COc1ccc(cc1)N1C=NC2C(C1=O)Sc1c2c2NCCc2cn1" . "COc1ccc(cc1)N1C=NC2C(C1=O)Sc1c2c2NCCc2cn1" . "SIUQQICXQVLRLA-UHFFFAOYSA-N" . "InChI=1S/C18H16N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,15-16,19H,6-7H2,1H3" . "Clc1ccc(cc1)n1c(C)nc2c(c1=O)cnn2c1ccc(cc1)S(=O)(=O)N" . "Clc1ccc(cc1)n1c(C)nc2c(c1=O)cnn2c1ccc(cc1)S(=O)(=O)N" . "VRNFEVMRDQNBHD-UHFFFAOYSA-N" . "InChI=1S/C18H14ClN5O3S/c1-11-22-17-16(18(25)23(11)13-4-2-12(19)3-5-13)10-21-24(17)14-6-8-15(9-7-14)28(20,26)27/h2-10H,1H3,(H2,20,26,27)" . "O=C1N(Cc2c1ccc(c2)c1nnn(c1C)c1cccnc1F)C1CC1" . "O=C1N(Cc2c1ccc(c2)c1nnn(c1C)c1cccnc1F)C1CC1" . "XZBFQWRAIYRPPZ-UHFFFAOYSA-N" . "InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3" . "OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O" . "OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O" . "LSTPKMWNRWCNLS-UHFFFAOYSA-N" . "InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)" . "Cc1c(OCCN2CCOCC2)cc2c(c1F)c(=O)c(co2)C1CCCCC1" . "Cc1c(OCCN2CCOCC2)cc2c(c1F)c(=O)c(co2)C1CCCCC1" . "PHQKNLJAPYWXQQ-UHFFFAOYSA-N" . "InChI=1S/C22H28FNO4/c1-15-18(27-12-9-24-7-10-26-11-8-24)13-19-20(21(15)23)22(25)17(14-28-19)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3" . "CCOC(=O)C(NC(C(=O)N1C2CCCC2CC1C(=O)O)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)C)CCc1ccccc1" . "HDACQVRGBOVJII-JBDAPHQKSA-N" . "InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1" . "CC1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl" . "C[C@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl" . "LFUPTQIEOBBAJE-VIFPVBQESA-N" . "InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1" . "N#Cc1ncccc1N1CCN(C(C1)C)C(=O)C12CC3CC(C2)C(C(C1)C3)C" . "N#Cc1ncccc1N1CCN([C@@H](C1)C)C(=O)C12CC3CC(C2)C(C(C1)C3)C" . "HPOKCTFUFZGTGF-ABYMYHKNSA-N" . "InChI=1S/C23H30N4O/c1-15-14-26(21-4-3-5-25-20(21)13-24)6-7-27(15)22(28)23-10-17-8-18(11-23)16(2)19(9-17)12-23/h3-5,15-19H,6-12,14H2,1-2H3/t15-,16?,17?,18?,19?,23?/m1/s1" . "O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1" . "O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1" . "HXUSRWUBSYSWII-UHFFFAOYSA-N" . "InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2" . "Fc1ccc(c(c1)F)n1nnc(c1C)c1ccc2c(c1)CN(C2=O)C(C)C" . "Fc1ccc(c(c1)F)n1nnc(c1C)c1ccc2c(c1)CN(C2=O)C(C)C" . "KKZVYGIANGOHBS-UHFFFAOYSA-N" . "InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3" . "CCCN1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1F" . "CCCN1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1[18F]" . "NYDVTBHNZHBCKX-LRFGSCOBSA-N" . "InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3/i20-1" . "CC(=O)OC1C(O)OC(C1O)COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O" . "CC(=O)O[C@H]1C(O)O[C@@H]([C@H]1O)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O" . "BFNOPXRXIQJDHO-YDKGJHSESA-N" . "InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1" . "OC(=O)C(NC(C(=O)N1CCCC1C(=O)O)C)CCc1ccccc1" . "OC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1" . "LZFZMUMEGBBDTC-QEJZJMRPSA-N" . "InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1" . "N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1" . "N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1" . "RVRHQHDKALSKLY-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2" . "N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1" . "N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1" . "RVRHQHDKALSKLY-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2" . "CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C" . "CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C" . "ICFXZBZASBXILF-UHFFFAOYSA-N" . "InChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3" . "CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C" . "CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C" . "ICFXZBZASBXILF-UHFFFAOYSA-N" . "InChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3" . "O=CC=C(CCC=C(C)C)C" . "O=C/C=C(/CCC=C(C)C)/C" . "WTEVQBCEXWBHNA-JXMROGBWSA-N" . "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+" . "COc1cc(C=CC(=O)Nc2ccccc2C(=O)O)ccc1OC" . "COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)ccc1OC" . "NZHGWWWHIYHZNX-CSKARUKUSA-N" . "InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+" . "O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cccc(c1)S(=O)(=O)O" . "O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cccc(c1)S(=O)(=O)O" . "FQNZBSFUVZKONP-UHFFFAOYSA-N" . "InChI=1S/C23H17F3N2O4S/c1-13-8-20-21(11-18(13)23(24,25)26)28-22(29)12-19(27-20)16-6-2-4-14(9-16)15-5-3-7-17(10-15)33(30,31)32/h2-11H,12H2,1H3,(H,28,29)(H,30,31,32)" . "CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/CC1OC1CCCC(=O)O" . "VBQNSZQZRAGRIX-QNEBEIHSSA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-" . "CC(=CCc1cc(C=CC(=O)O)cc(c1O)CC=C(C)C)C" . "CC(=CCc1cc(/C=C/C(=O)O)cc(c1O)CC=C(C)C)C" . "KABCFARPAMSXCC-JXMROGBWSA-N" . "InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+" . "FC(c1cc(nc2n1ncc2C#Cc1cncc(c1)S(=O)(=O)O)c1ccc(cc1)C(F)(F)F)(F)F" . "FC(c1cc(nc2n1ncc2C#Cc1cncc(c1)S(=O)(=O)O)c1ccc(cc1)C(F)(F)F)(F)F" . "VAQSOLIIQORHSP-UHFFFAOYSA-N" . "InChI=1S/C21H10F6N4O3S/c22-20(23,24)15-5-3-13(4-6-15)17-8-18(21(25,26)27)31-19(30-17)14(10-29-31)2-1-12-7-16(11-28-9-12)35(32,33)34/h3-11H,(H,32,33,34)" . "OC(=O)c1cc(ccc1Cl)c1cccc(c1)COc1ccc2c(c1)sn(c2=O)C1CCCC1" . "OC(=O)c1cc(ccc1Cl)c1cccc(c1)COc1ccc2c(c1)sn(c2=O)C1CCCC1" . "ZQBPXBADOJMCRU-UHFFFAOYSA-N" . "InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)" . "CCOC(=O)C(NC(C(=O)N1CCCC1C(=O)O)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1" . "GBXSMTUPTTWBMN-XIRDDKMYSA-N" . "InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1" . "N#Cc1cccc(c1)N1CC(OC1=O)COc1ccc(cc1)C(C)(C)C" . "N#Cc1cccc(c1)N1C[C@H](OC1=O)COc1ccc(cc1)C(C)(C)C" . "YFJUDGZIRPWFBS-IBGZPJMESA-N" . "InChI=1S/C21H22N2O3/c1-21(2,3)16-7-9-18(10-8-16)25-14-19-13-23(20(24)26-19)17-6-4-5-15(11-17)12-22/h4-11,19H,13-14H2,1-3H3/t19-/m0/s1" . "CCCCn1ccc(c(c1=O)C#N)c1ccc(c(c1)F)Oc1ccnc(c1)C" . "CCCCn1ccc(c(c1=O)C#N)c1ccc(c(c1)F)Oc1ccnc(c1)C" . "IPTWXMISVLTMAV-UHFFFAOYSA-N" . "InChI=1S/C22H20FN3O2/c1-3-4-10-26-11-8-18(19(14-24)22(26)27)16-5-6-21(20(23)13-16)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3" . "CC=CC=O" . "C/C=C/C=O" . "MLUCVPSAIODCQM-NSCUHMNNSA-N" . "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" . "N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCCC(C1)N" . "N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N" . "ZSBOMTDTBDDKMP-OAHLLOKOSA-N" . "InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1" . "CC#CCn1c(nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)N1CCCC(C1)N" . "CC#CCn1c(nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)N1CCC[C@H](C1)N" . "LTXREWYXXSTFRX-QGZVFWFLSA-N" . "InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1" . "FC(c1c(ccn2c1nnc2CC1CC1)N1CCC(CC1)c1ccccc1)(F)F" . "FC(c1c(ccn2c1nnc2CC1CC1)N1CCC(CC1)c1ccccc1)(F)F" . "BQAVZGJJQFJSMW-UHFFFAOYSA-N" . "InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2" . "N#CC1CC2C(N1C(=O)C(C13CC4CC(C1)CC(C3)(C4)O)N)C2" . "N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H](C13CC4CC(C1)CC(C3)(C4)O)N)C2" . "QGJUIPDUBHWZPV-SGTAVMJGSA-N" . "InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1" . "CC1=CC(=O)C(=CC1=NOS(=O)(=O)c1ccccc1)C1CCCCC1" . "CC1=CC(=O)C(=C/C/1=N/OS(=O)(=O)c1ccccc1)C1CCCCC1" . "RSMZOLWJZGIWOV-CZIZESTLSA-N" . "InChI=1S/C19H21NO4S/c1-14-12-19(21)17(15-8-4-2-5-9-15)13-18(14)20-24-25(22,23)16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9H2,1H3/b20-18+" . "N#CC1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O" . "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O" . "SYOKIDBDQMKNDQ-XWTIBIIYSA-N" . "InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1" . "CC(CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC1)CC1CCCOC1)C" . "CC(CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC1)CC1CCCOC1)C" . "PPANZCQXFYBGHN-UHFFFAOYSA-N" . "InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)" . "O=CCC(C(=CC)C=O)CC(=O)OCCc1ccc(cc1)O" . "O=CC[C@H](/C(=C/C)/C=O)CC(=O)OCCc1ccc(cc1)O" . "VPOVFCBNUOUZGG-VAKDEWRISA-N" . "InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-/t15-/m0/s1" . "O=C1C=CC(=O)C=C1" . "O=C1C=CC(=O)C=C1" . "AZQWKYJCGOJGHM-UHFFFAOYSA-N" . "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H" . "CC[P+]([Au-]SC1OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)(CC)CC" . "CC[P+]([Au-]S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)(CC)CC" . "AUJRCFUBUPVWSZ-XTZHGVARSA-M" . "InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1" . "CCCCCC=CCC1OC1C=CC(CC=CCCCC(=O)O)O" . "CCCCC/C=C/C[C@@H]1OC1/C=C/C(C/C=C/CCCC(=O)O)O" . "SGTUOBURCVMACZ-UIKNIFMXSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19?/m0/s1" . "O=CC(=O)C" . "O=CC(=O)C" . "AIJULSRZWUXGPQ-UHFFFAOYSA-N" . "InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3" . "CCCCCCCCC=C([N+](=O)[O-])CCCCCCCC(=O)O" . "CCCCCCCC/C=C(/[N+](=O)[O-])/CCCCCCCC(=O)O" . "CQOAKBVRRVHWKV-SAPNQHFASA-N" . "InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+" . "CCCCOC(=O)c1ccccc1C(=O)OCCCC" . "CCCCOC(=O)c1ccccc1C(=O)OCCCC" . "DOIRQSBPFJWKBE-UHFFFAOYSA-N" . "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" . "BrCc1ccccc1" . "BrCc1ccccc1" . "AGEZXYOZHKGVCM-UHFFFAOYSA-N" . "InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" . "CC(=O)CBr" . "CC(=O)CBr" . "VQFAIAKCILWQPZ-UHFFFAOYSA-N" . "InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3" . "ClC([N+](=O)[O-])(Cl)Cl" . "ClC([N+](=O)[O-])(Cl)Cl" . "LFHISGNCFUNFFM-UHFFFAOYSA-N" . "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7" . "O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C" . "O=CC1=C[C@@H]2CC(C[C@@H]2[C@@]2([C@@]1(C=O)C2)C)(C)C" . "PJAAESPGJOSQGZ-DZGBDDFRSA-N" . "InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1" . "NC(Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F" . "N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F" . "MFFMDFFZMYYVKS-SECBINFHSA-N" . "InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1" . "ClCC(=O)c1ccccc1" . "ClCC(=O)c1ccccc1" . "IMACFCSSMIZSPP-UHFFFAOYSA-N" . "InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2" . "CCCCCC(=O)C=CC=O" . "CCCCCC(=O)/C=C/C=O" . "SEPPVOUBHWNCAW-FNORWQNLSA-N" . "InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+" . "O=C(c1ccc(cc1)[N+](=O)[O-])Oc1coc(cc1=O)CSc1ncccn1" . "O=C(c1ccc(cc1)[N+](=O)[O-])Oc1coc(cc1=O)CSc1ncccn1" . "UASIRTUMPRQVFY-UHFFFAOYSA-N" . "InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2" . "CC(=CCSc1ccccc1C(=O)O)CCC=C(CCC=C(C)C)C" . "C/C(=C/CSc1ccccc1C(=O)O)/CC/C=C(/CCC=C(C)C)/C" . "WUILNKCFCLNXOK-CFBAGHHKSA-N" . "InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+" . "CCC(=NO)C(=Cc1ccc(cc1)F)C" . "CC/C(=N/O)/C(=C/c1ccc(cc1)F)/C" . "HKROEBDHHKMNBZ-CHBKHGQFSA-N" . "InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+" . "CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)O)O" . "MYHXHCUNDDAEOZ-FOSBLDSVSA-N" . "InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1" . "[Na]S" . "[Na]S" . "HYHCSLBZRBJJCH-UHFFFAOYSA-M" . "InChI=1S/Na.H2S/h;1H2/q+1;/p-1" . "CC=O" . "CC=O" . "IKHGUXGNUITLKF-UHFFFAOYSA-N" . "InChI=1S/C2H4O/c1-2-3/h2H,1H3" . "CCC(c1ccc(cc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C" . "CCC(c1ccc(cc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C" . "ZUTUWJYMCADJHD-UHFFFAOYSA-N" . "InChI=1S/C19H23N5O3/c1-5-12(2)13-6-8-14(9-7-13)21-15(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)" . "Clc1cccc(c1)COCC1C2C1CN(C2)Cc1nc2c(n1C)cccn2" . "Clc1cccc(c1)COC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1nc2c(n1C)cccn2" . "TYMQEQIUYIJHBZ-PIIMJCKOSA-N" . "InChI=1S/C21H23ClN4O/c1-25-19-6-3-7-23-21(19)24-20(25)11-26-9-16-17(10-26)18(16)13-27-12-14-4-2-5-15(22)8-14/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+" . "Cn1c(CN2CC3C(C2)C3COCc2ccc(cn2)C(F)(F)F)nc2c1cccc2" . "Cn1c(CN2C[C@@H]3[C@H](C2)[C@H]3COCc2ccc(cn2)C(F)(F)F)nc2c1cccc2" . "YKYWUHHZZRBGMG-PIIMJCKOSA-N" . "InChI=1S/C22H23F3N4O/c1-28-20-5-3-2-4-19(20)27-21(28)11-29-9-16-17(10-29)18(16)13-30-12-15-7-6-14(8-26-15)22(23,24)25/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)C)C)Cc1nc[nH]c1)CO)CC(C)C)C(O)C)CCSC)CCC(=O)N)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCSC)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)O)[C@@H](C)O" . "ULUOXCRNSRVJPE-MJRHPTFMSA-N" . "InChI=1S/C90H149N29O22S2/c1-12-48(6)71(117-79(132)57(22-15-16-30-91)107-76(129)58(23-17-31-99-89(94)95)108-77(130)59(24-18-32-100-90(96)97)109-84(137)64(38-52-40-101-56-21-14-13-20-54(52)56)113-82(135)62(36-46(2)3)112-75(128)55(92)28-34-142-10)87(140)102-42-69(123)119-33-19-25-67(119)86(139)111-60(26-27-68(93)122)78(131)110-61(29-35-143-11)80(133)118-72(51(9)121)88(141)115-63(37-47(4)5)83(136)116-66(44-120)85(138)114-65(39-53-41-98-45-104-53)81(134)106-50(8)74(127)105-49(7)73(126)103-43-70(124)125/h13-14,20-21,40-41,45-51,55,57-67,71-72,101,120-121H,12,15-19,22-39,42-44,91-92H2,1-11H3,(H2,93,122)(H,98,104)(H,102,140)(H,103,126)(H,105,127)(H,106,134)(H,107,129)(H,108,130)(H,109,137)(H,110,131)(H,111,139)(H,112,128)(H,113,135)(H,114,138)(H,115,141)(H,116,136)(H,117,132)(H,118,133)(H,124,125)(H4,94,95,99)(H4,96,97,100)/t48-,49-,50-,51+,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1" . "CCCCCC(C=CC=O)O" . "CCCCCC(/C=C/C=O)O" . "JVJFIQYAHPMBBX-FNORWQNLSA-N" . "InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+" . "COC(=O)c1ccc(cc1)O" . "COC(=O)c1ccc(cc1)O" . "LXCFILQKKLGQFO-UHFFFAOYSA-N" . "InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3" . "CS(=S)(=O)OCCN" . "CS(=S)(=O)OCCN" . "HKERMLQDWIEJQS-UHFFFAOYSA-N" . "InChI=1S/C3H9NO2S2/c1-8(5,7)6-3-2-4/h2-4H2,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCC(=O)O)CCC(=O)N)C(C)C)CC(C)C)CCCCN)CCC(=O)N)Cc1ccccc1)Cc1ccccc1)CC(=O)N)CCCCN)C(CC)C)CCCCN)CCC(=O)N)C(CC)C)CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)N)CO)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCCCN)CCC(=O)O)CCCCN)CC(C)C " . "CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC" . "QBSFTGGUOCPHDM-GDCSACRRSA-N" . "InChI=1S/C197H338N56O50/c1-22-112(17)158(210)189(296)247-143(105-254)186(293)235-128(65-49-89-216-197(213)214)170(277)240-136(93-107(7)8)178(285)222-116(21)163(270)218-102-154(263)226-135(92-106(5)6)179(286)243-138(95-109(11)12)181(288)234-127(64-48-88-215-196(211)212)166(273)227-119(56-32-40-80-198)164(271)219-100-150(259)217-101-151(260)224-130(71-77-155(264)265)173(280)232-125(62-38-46-86-204)176(283)250-161(114(19)24-3)191(298)221-104-153(262)225-131(72-78-156(266)267)172(279)228-121(58-34-42-82-200)167(274)241-137(94-108(9)10)180(287)233-120(57-33-41-81-199)165(272)230-124(61-37-45-85-203)175(282)249-160(113(18)23-2)190(297)220-103-152(261)223-129(68-74-146(206)255)171(278)231-126(63-39-47-87-205)177(284)251-162(115(20)25-4)192(299)237-123(60-36-44-84-202)169(276)246-142(99-149(209)258)184(291)245-141(98-118-54-30-27-31-55-118)183(290)244-140(97-117-52-28-26-29-53-117)182(289)236-132(69-75-147(207)256)174(281)229-122(59-35-43-83-201)168(275)242-139(96-110(13)14)185(292)248-159(111(15)16)194(301)253-91-51-67-145(253)187(294)238-133(70-76-148(208)257)193(300)252-90-50-66-144(252)188(295)239-134(195(302)303)73-79-157(268)269/h26-31,52-55,106-116,119-145,158-162,254H,22-25,32-51,56-105,198-205,210H2,1-21H3,(H2,206,255)(H2,207,256)(H2,208,257)(H2,209,258)(H,217,259)(H,218,270)(H,219,271)(H,220,297)(H,221,298)(H,222,285)(H,223,261)(H,224,260)(H,225,262)(H,226,263)(H,227,273)(H,228,279)(H,229,281)(H,230,272)(H,231,278)(H,232,280)(H,233,287)(H,234,288)(H,235,293)(H,236,289)(H,237,299)(H,238,294)(H,239,295)(H,240,277)(H,241,274)(H,242,275)(H,243,286)(H,244,290)(H,245,291)(H,246,276)(H,247,296)(H,248,292)(H,249,282)(H,250,283)(H,251,284)(H,264,265)(H,266,267)(H,268,269)(H,302,303)(H4,211,212,215)(H4,213,214,216)/t112-,113-,114-,115-,116-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,158-,159-,160-,161-,162-/m0/s1" . "CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OC" . "CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OC" . "XORVAHQXRDLSFT-UHFFFAOYSA-N" . "InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)" . "CC(C1CNC(=O)C(=O)N1CC1CCCN1CC(N1CC(Cc2ccc(cc2)O)N(C(=O)C1=O)CC1CCCCC1)Cc1ccc2c(c1)cccc2)C" . "CC([C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](N1C[C@@H](Cc2ccc(cc2)O)N(C(=O)C1=O)CC1CCCCC1)Cc1ccc2c(c1)cccc2)C" . "RWNPDBWKKCTTOI-WIQNKZILSA-N" . "InChI=1S/C43H55N5O5/c1-29(2)39-24-44-40(50)41(51)48(39)27-35-13-8-20-45(35)26-36(23-32-14-17-33-11-6-7-12-34(33)21-32)47-28-37(22-30-15-18-38(49)19-16-30)46(42(52)43(47)53)25-31-9-4-3-5-10-31/h6-7,11-12,14-19,21,29,31,35-37,39,49H,3-5,8-10,13,20,22-28H2,1-2H3,(H,44,50)/t35-,36+,37+,39+/m0/s1" . "COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C" . "COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C" . "IUAVZEYOWYFRAS-UHFFFAOYSA-N" . "InChI=1S/C29H40N2O5/c1-30(13-11-20-9-10-25(33-2)26(15-20)34-3)23-7-6-8-24(19-23)31-14-12-21-16-27(35-4)28(36-5)17-22(21)18-29(31)32/h9-10,15-17,23-24H,6-8,11-14,18-19H2,1-5H3" . "OC1C2OP(=O)(O)OCC2OC1n1ccc(nc1=O)N" . "O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1ccc(nc1=O)N" . "WCPTXJJVVDAEMW-XVFCMESISA-N" . "InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1" . "COc1cc(ccc1OC)C(CN(CC=CCN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)CC=CCN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)C" . "COc1cc(ccc1OC)[C@H](CN(C/C=C/CN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)C/C=C/CN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)C" . "WCJGGTAAPIAIJS-PSEQGZRXSA-N" . "InChI=1S/C43H51N3O8/c1-30(31-12-13-36(49-2)37(22-31)50-3)29-44(16-8-10-18-45-20-14-32-23-38(51-4)40(53-6)25-34(32)27-42(45)47)17-9-11-19-46-21-15-33-24-39(52-5)41(54-7)26-35(33)28-43(46)48/h8-15,20-26,30H,16-19,27-29H2,1-7H3/b10-8-,11-9-/t30-/m0/s1" . "Cn1cnc(c1)C(=O)NCc1ccc(cc1)COc1ccc(c(c1C(F)(F)F)O)C(=O)C(C)C" . "Cn1cnc(c1)C(=O)NCc1ccc(cc1)COc1ccc(c(c1C(F)(F)F)O)C(=O)C(C)C" . "RYINQFMHVVYWNS-UHFFFAOYSA-N" . "InChI=1S/C24H24F3N3O4/c1-14(2)21(31)17-8-9-19(20(22(17)32)24(25,26)27)34-12-16-6-4-15(5-7-16)10-28-23(33)18-11-30(3)13-29-18/h4-9,11,13-14,32H,10,12H2,1-3H3,(H,28,33)" . "CCS(=O)(=O)N(c1ccc(cc1)Oc1ccc(cc1)C(=O)N)Cc1cccnc1" . "CCS(=O)(=O)N(c1ccc(cc1)Oc1ccc(cc1)C(=O)N)Cc1cccnc1" . "VCBPWPYIGXFKDH-UHFFFAOYSA-N" . "InChI=1S/C21H21N3O4S/c1-2-29(26,27)24(15-16-4-3-13-23-14-16)18-7-11-20(12-8-18)28-19-9-5-17(6-10-19)21(22)25/h3-14H,2,15H2,1H3,(H2,22,25)" . "FC(CS(=O)(=O)N(c1cccc(c1)OC1CCCC1)Cc1cccnc1)(F)F" . "FC(CS(=O)(=O)N(c1cccc(c1)OC1CCCC1)Cc1cccnc1)(F)F" . "WCYYNLFGFUQJMF-UHFFFAOYSA-N" . "InChI=1S/C19H21F3N2O3S/c20-19(21,22)14-28(25,26)24(13-15-5-4-10-23-12-15)16-6-3-9-18(11-16)27-17-7-1-2-8-17/h3-6,9-12,17H,1-2,7-8,13-14H2" . "Clc1ccc(nc1)COCC1C2C1CN(C2)Cc1nc2c(n1C)cccc2" . "Clc1ccc(nc1)COC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1nc2c(n1C)cccc2" . "XOVYESUODKGPJX-PIIMJCKOSA-N" . "InChI=1S/C21H23ClN4O/c1-25-20-5-3-2-4-19(20)24-21(25)11-26-9-16-17(10-26)18(16)13-27-12-15-7-6-14(22)8-23-15/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+" . "Clc1cnc(nc1)N1CCN(CC1)Cc1nc2c(n1C)cccc2" . "Clc1cnc(nc1)N1CCN(CC1)Cc1nc2c(n1C)cccc2" . "IXXZGBOSQDVMTC-UHFFFAOYSA-N" . "InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3" . "Clc1cc(cnc1N1CCN(CC1)Cc1nc2c(n1C)cccc2)C(F)(F)F" . "Clc1cc(cnc1N1CCN(CC1)Cc1nc2c(n1C)cccc2)C(F)(F)F" . "BQOUGDGGUWVLTD-UHFFFAOYSA-N" . "InChI=1S/C19H19ClF3N5/c1-26-16-5-3-2-4-15(16)25-17(26)12-27-6-8-28(9-7-27)18-14(20)10-13(11-24-18)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(O)C)CC(C)C)C(CC)C)CC(=O)N)C(CC)C)Cc1ccccc1)Cc1ccc(cc1)O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "LZOIGVDSAMDBIO-LXWJMTKESA-N" . "InChI=1S/C55H86N10O13S/c1-11-31(7)44(52(74)60-38(24-29(3)4)49(71)65-46(33(9)66)54(76)62-42(55(77)78)25-30(5)6)64-51(73)41(28-43(57)68)61-53(75)45(32(8)12-2)63-50(72)40(26-34-16-14-13-15-17-34)59-48(70)39(27-35-18-20-36(67)21-19-35)58-47(69)37(56)22-23-79-10/h13-21,29-33,37-42,44-46,66-67H,11-12,22-28,56H2,1-10H3,(H2,57,68)(H,58,69)(H,59,70)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H,65,71)(H,77,78)/t31-,32-,33+,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1" . "Cc1ccnc(n1)Nc1sc(c(n1)c1c[nH]nc1)C" . "Cc1ccnc(n1)Nc1sc(c(n1)c1c[nH]nc1)C" . "MIQNXKWDQRNHAU-UHFFFAOYSA-N" . "InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1nc[nH]c1)C)CCC(=O)N)CCCN=C(N)N)C(CC)C)C(O)C)C(CC)C)C(CC)C)CC(=O)N)NC(=O)C(C(O)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(O)C)N)CCCN=C(N)N)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CCCCN)CCCN=C(N)N)CCCCN)CCCN=C(N)N)Cc1nc[nH]c1)CCCN=C(N)N)C)Cc1ccccc1)Cc1ccc(cc1)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O" . "LGGRPYXPOUIMKG-OJICBBQQSA-N" . "InChI=1S/C172H282N60O43/c1-17-85(6)130(224-154(262)116(74-100-79-193-84-203-100)222-162(270)132(87(8)19-3)225-148(256)109(46-34-66-197-171(188)189)209-143(251)104(40-25-28-60-173)207-145(253)107(44-32-64-195-169(184)185)208-144(252)105(41-26-29-61-174)210-151(259)117(75-123(177)240)220-150(258)114(71-97-50-54-101(237)55-51-97)217-152(260)118(76-124(178)241)221-157(265)121-49-37-69-232(121)167(275)111(47-35-67-198-172(190)191)214-158(266)129(180)92(13)233)160(268)201-82-128(245)231-68-36-48-120(231)156(264)199-80-126(243)206-103(43-31-63-194-168(182)183)141(249)204-91(12)140(248)216-113(70-96-38-23-22-24-39-96)149(257)218-115(72-98-52-56-102(238)57-53-98)153(261)229-137(95(16)236)166(274)230-136(94(15)235)164(272)213-106(42-27-30-62-175)147(255)219-119(77-125(179)242)155(263)226-134(89(10)21-5)163(271)227-131(86(7)18-2)159(267)200-81-127(244)223-135(93(14)234)165(273)228-133(88(9)20-4)161(269)212-108(45-33-65-196-170(186)187)146(254)211-110(58-59-122(176)239)142(250)205-90(11)139(247)215-112(138(181)246)73-99-78-192-83-202-99/h22-24,38-39,50-57,78-79,83-95,103-121,129-137,233-238H,17-21,25-37,40-49,58-77,80-82,173-175,180H2,1-16H3,(H2,176,239)(H2,177,240)(H2,178,241)(H2,179,242)(H2,181,246)(H,192,202)(H,193,203)(H,199,264)(H,200,267)(H,201,268)(H,204,249)(H,205,250)(H,206,243)(H,207,253)(H,208,252)(H,209,251)(H,210,259)(H,211,254)(H,212,269)(H,213,272)(H,214,266)(H,215,247)(H,216,248)(H,217,260)(H,218,257)(H,219,255)(H,220,258)(H,221,265)(H,222,270)(H,223,244)(H,224,262)(H,225,256)(H,226,263)(H,227,271)(H,228,273)(H,229,261)(H,230,274)(H4,182,183,194)(H4,184,185,195)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)/t85-,86-,87-,88-,89-,90-,91-,92+,93+,94+,95+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,129-,130-,131-,132-,133-,134-,135-,136-,137-/m0/s1" . "[O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C" . "[O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C" . "RDHQFKQIGNGIED-MRVPVSSYSA-N" . "InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)CCC(=O)N)Cc1c[nH]c2c1cccc2)CCSC)CC(=O)N)C(CC)C)Cc1ccccc1)CCC(=O)N)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)N)CO)CC(=O)O)CC(C)C)CS)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O" . "ITFICYZHWXDVMU-IPTZIORSSA-N" . "InChI=1S/C110H173N29O34S2/c1-12-54(6)85(134-95(158)65(29-22-41-118-110(116)117)122-101(164)76(52-174)133-102(165)77-30-23-42-139(77)108(171)74(44-53(4)5)132-106(169)88(57(9)141)138-105(168)87(56(8)14-3)136-107(170)89(58(10)142)137-99(162)73(48-84(151)152)130-100(163)75(51-140)121-81(146)50-120-90(153)62(112)31-37-82(147)148)103(166)126-64(28-20-21-40-111)91(154)123-67(33-36-79(114)144)93(156)128-70(45-59-24-16-15-17-25-59)98(161)135-86(55(7)13-2)104(167)131-72(47-80(115)145)97(160)125-68(39-43-175-11)94(157)129-71(46-60-49-119-63-27-19-18-26-61(60)63)96(159)124-66(32-35-78(113)143)92(155)127-69(109(172)173)34-38-83(149)150/h15-19,24-27,49,53-58,62,64-77,85-89,119,140-142,174H,12-14,20-23,28-48,50-52,111-112H2,1-11H3,(H2,113,143)(H2,114,144)(H2,115,145)(H,120,153)(H,121,146)(H,122,164)(H,123,154)(H,124,159)(H,125,160)(H,126,166)(H,127,155)(H,128,156)(H,129,157)(H,130,163)(H,131,167)(H,132,169)(H,133,165)(H,134,158)(H,135,161)(H,136,170)(H,137,162)(H,138,168)(H,147,148)(H,149,150)(H,151,152)(H,172,173)(H4,116,117,118)/t54-,55-,56-,57+,58+,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-,88-,89-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)CCCN=C(N)N)C)CCC(=O)N)CC(C)C)CCC(=O)N)NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C(C)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(CO)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CC(=O)N)CC(=O)N)CC(C)C)CC(C)C)CCCN=C(N)N)C)CCC(=O)O)C)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCC(=O)N)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC" . "BUGHAHAULLHLAQ-FYXAMSKRSA-N" . "InChI=1S/C184H310N56O51/c1-31-93(23)144(177(285)220-106(43-37-38-64-185)157(265)214-112(49-58-132(190)246)161(269)223-118(67-84(5)6)167(275)218-109(46-55-129(187)243)155(263)208-97(27)149(257)211-108(45-40-66-203-184(199)200)165(273)239-147(96(26)34-4)179(287)233-128(182(290)291)73-90(17)18)234-140(254)81-206-153(261)124(74-101-78-204-105-42-36-35-41-103(101)105)232-176(284)143(92(21)22)237-181(289)148(100(30)242)240-174(282)123(72-89(15)16)224-162(270)115(52-61-135(193)249)219-168(276)120(69-86(9)10)226-169(277)121(70-87(11)12)227-171(279)125(75-102-79-201-83-207-102)229-163(271)113(50-59-133(191)247)216-158(266)110(47-56-130(188)244)212-150(258)98(28)209-156(264)117(54-63-141(255)256)222-178(286)146(95(25)33-3)238-151(259)99(29)210-154(262)107(44-39-65-202-183(197)198)213-166(274)119(68-85(7)8)225-170(278)122(71-88(13)14)228-172(280)127(77-138(196)252)231-173(281)126(76-137(195)251)230-164(272)114(51-60-134(192)248)217-159(267)111(48-57-131(189)245)215-160(268)116(53-62-136(194)250)221-175(283)142(91(19)20)236-180(288)145(94(24)32-2)235-139(253)80-205-152(260)104(186)82-241/h35-36,41-42,78-79,83-100,104,106-128,142-148,204,241-242H,31-34,37-40,43-77,80-82,185-186H2,1-30H3,(H2,187,243)(H2,188,244)(H2,189,245)(H2,190,246)(H2,191,247)(H2,192,248)(H2,193,249)(H2,194,250)(H2,195,251)(H2,196,252)(H,201,207)(H,205,260)(H,206,261)(H,208,263)(H,209,264)(H,210,262)(H,211,257)(H,212,258)(H,213,274)(H,214,265)(H,215,268)(H,216,266)(H,217,267)(H,218,275)(H,219,276)(H,220,285)(H,221,283)(H,222,286)(H,223,269)(H,224,270)(H,225,278)(H,226,277)(H,227,279)(H,228,280)(H,229,271)(H,230,272)(H,231,281)(H,232,284)(H,233,287)(H,234,254)(H,235,253)(H,236,288)(H,237,289)(H,238,259)(H,239,273)(H,240,282)(H,255,256)(H,290,291)(H4,197,198,202)(H4,199,200,203)/t93-,94-,95-,96-,97-,98-,99-,100+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,142-,143-,144-,145-,146-,147-,148-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(=O)O)CC(C)C)C(C)C)C(C)C)C)C)C)C)C)C)CCSC)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(CCCCN)N)CC(=O)N)CCSC " . "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)C(C)C)C(C)C" . "XPZWWTIIKSODDO-MBNDGZRNSA-N" . "InChI=1S/C80H138N26O24S2/c1-38(2)28-53(72(122)90-36-61(113)114)98-60(112)33-86-57(109)32-89-78(128)62(39(3)4)105-79(129)63(40(5)6)104-70(120)44(10)93-59(111)35-87-65(115)41(7)94-68(118)45(11)96-69(119)46(12)95-67(117)43(9)92-58(110)34-88-66(116)42(8)97-73(123)51(22-26-131-14)100-76(126)54(29-48-31-85-37-91-48)102-74(124)50(21-17-19-25-82)99-75(125)52(23-27-132-15)101-77(127)55(30-56(84)108)103-80(130)64(47(13)107)106-71(121)49(83)20-16-18-24-81/h31,37-47,49-55,62-64,107H,16-30,32-36,81-83H2,1-15H3,(H2,84,108)(H,85,91)(H,86,109)(H,87,115)(H,88,116)(H,89,128)(H,90,122)(H,92,110)(H,93,111)(H,94,118)(H,95,117)(H,96,119)(H,97,123)(H,98,112)(H,99,125)(H,100,126)(H,101,127)(H,102,124)(H,103,130)(H,104,120)(H,105,129)(H,106,121)(H,113,114)/t41-,42-,43-,44-,45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,62-,63-,64-/m0/s1" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC" . "VRGVOWFKLSZRDR-SILNSSARSA-N" . "InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C" . "VKCTUZKPBYSTDW-SILNSSARSA-N" . "InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-" . "CSCCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CCC(=O)O)CO)Cc1ccccc1)CCCN=C(N)N)CO)CC(C)C)CC(C)C)Cc1ccccc1)CCCN=C(N)N" . "CSCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CCC(=O)O)CO)Cc1ccccc1)CCCN=C(N)N)CO)CC(C)C)CC(C)C)Cc1ccccc1)CCCN=C(N)N" . "PWBQRCXCXXGUGY-AJOXZCOLSA-N" . "InChI=1S/C75H123N19O18S/c1-12-44(10)60(94-70(108)57(39-96)92-63(101)50(27-28-58(97)98)83-61(99)47(76)33-40(2)3)72(110)90-55(37-46-23-17-14-18-24-46)68(106)84-48(25-19-30-81-74(77)78)62(100)91-56(38-95)69(107)88-53(35-42(6)7)65(103)87-52(34-41(4)5)66(104)89-54(36-45-21-15-13-16-22-45)67(105)85-49(26-20-31-82-75(79)80)64(102)93-59(43(8)9)71(109)86-51(73(111)112)29-32-113-11/h13-18,21-24,40-44,47-57,59-60,95-96H,12,19-20,25-39,76H2,1-11H3,(H,83,99)(H,84,106)(H,85,105)(H,86,109)(H,87,103)(H,88,107)(H,89,104)(H,90,110)(H,91,100)(H,92,101)(H,93,102)(H,94,108)(H,97,98)(H,111,112)(H4,77,78,81)(H4,79,80,82)/t44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1" . "CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O" . "CC/C=C/C[C@H](/C=C/C=C/C=C/C=C/[C@H]([C@H](C/C=C/CCC(=O)O)O)O)O" . "OIWTWACQMDFHJG-BJEBZIPWSA-N" . "InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21+/m1/s1" . "NOCC1CCCCC1C(=O)Nc1ccc(c(c1)Cl)Cl" . "NOC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(c(c1)Cl)Cl" . "MBRLECISJUKSAN-ONGXEEELSA-N" . "InChI=1S/C14H18Cl2N2O2/c15-12-6-5-10(7-13(12)16)18-14(19)11-4-2-1-3-9(11)8-20-17/h5-7,9,11H,1-4,8,17H2,(H,18,19)/t9-,11-/m0/s1" . "c1ccc(cc1)N1NCC(C1)c1ccnc2c1cccc2" . "c1ccc(cc1)N1NCC(C1)c1ccnc2c1cccc2" . "KQNXOSZPTJGHDO-UHFFFAOYSA-N" . "InChI=1S/C18H17N3/c1-2-6-15(7-3-1)21-13-14(12-20-21)16-10-11-19-18-9-5-4-8-17(16)18/h1-11,14,20H,12-13H2" . "Nc1nccc(n1)C=Cc1ccccc1" . "Nc1nccc(n1)/C=C/c1ccccc1" . "LNUXNUNUGIHCPA-VOTSOKGWSA-N" . "InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+" . "Clc1cccc(c1)NC(=O)c1ccccn1" . "Clc1cccc(c1)NC(=O)c1ccccn1" . "SUYUTNCKIOLMAJ-UHFFFAOYSA-N" . "InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)" . "O=C1C2C3C=CC(C2C(=O)N1c1ccc(cc1Cl)NC(=O)c1ccccn1)C3" . "O=C1C2[C@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc(cc1Cl)NC(=O)c1ccccn1)C3" . "LJUABYFUJVRUSJ-KNGMQDLYSA-N" . "InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1" . "c1ccc(nc1)Nc1scc(n1)c1c[nH]nc1" . "c1ccc(nc1)Nc1scc(n1)c1c[nH]nc1" . "WIILZWDTWZFGNO-UHFFFAOYSA-N" . "InChI=1S/C11H9N5S/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)(H,12,15,16)" . "c1ccc(nc1)Nc1sc2c(n1)c1c[nH]nc1CCC2" . "c1ccc(nc1)Nc1sc2c(n1)c1c[nH]nc1CCC2" . "DBISXWCOHGUFSF-UHFFFAOYSA-N" . "InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccccn1" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccccn1" . "NAPZSTOOVHXHKA-RGEXLXHISA-N" . "InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)/b19-14-" . "Cc1ccc(cc1)N1C(Nc2c(C1=O)cccc2)C(c1ccccc1)C" . "Cc1ccc(cc1)N1C(Nc2c(C1=O)cccc2)C(c1ccccc1)C" . "QZAOSZVJAXUJFE-UHFFFAOYSA-N" . "InChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3" . "Oc1ccc(cc1)C=NNc1nc2ccccc2nc1C" . "Oc1ccc(cc1)/C=N/Nc1nc2ccccc2nc1C" . "WDPUHMPVZBSBGB-LICLKQGHSA-N" . "InChI=1S/C16H14N4O/c1-11-16(19-15-5-3-2-4-14(15)18-11)20-17-10-12-6-8-13(21)9-7-12/h2-10,21H,1H3,(H,19,20)/b17-10+" . "CC1CCCN(C1)c1ncnc2c1cnn2c1ccc(cc1C)C" . "CC1CCCN(C1)c1ncnc2c1cnn2c1ccc(cc1C)C" . "CLQVVBPDAXJGBV-UHFFFAOYSA-N" . "InChI=1S/C19H23N5/c1-13-6-7-17(15(3)9-13)24-19-16(10-22-24)18(20-12-21-19)23-8-4-5-14(2)11-23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3" . "O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C" . "O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C" . "LYTVXCQQTLUEQR-UHFFFAOYSA-N" . "InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31)" . "OCC1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC" . "OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC" . "VSLWUPHHCFQTDB-LJQANCHMSA-N" . "InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl" . "ZRURMLHGCOJTNX-HKWRFOASSA-N" . "InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,22H,9H2,(H,19,21)/b20-15-" . "N#Cc1nccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)Br" . "N#Cc1nccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)Br" . "JNLRDCDCGXPNKH-DEDYPNTBSA-N" . "InChI=1S/C16H11BrN4O/c17-11-1-2-14-15(8-11)21-16(22)4-3-13(20-14)10-5-6-19-12(7-10)9-18/h1-2,5-8H,3-4H2,(H,21,22)/b20-13+" . "O=C1CCC(=Nc2c(N1)ccc(c2)Br)c1cccc(c1)c1ccncc1" . "O=C1CCC(=Nc2c(N1)ccc(c2)Br)c1cccc(c1)c1ccncc1" . "BLAQAVITPVXJJS-HKOYGPOVSA-N" . "InChI=1S/C21H16BrN3O/c22-17-4-5-19-20(13-17)24-18(6-7-21(26)25-19)16-3-1-2-15(12-16)14-8-10-23-11-9-14/h1-5,8-13H,6-7H2,(H,25,26)/b24-18+" . "N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I" . "N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I" . "SJYIGECDHTXFFG-XSFVSMFZSA-N" . "InChI=1S/C17H12IN3O/c18-13-4-5-15-16(9-13)21-17(22)7-6-14(20-15)12-3-1-2-11(8-12)10-19/h1-5,8-9H,6-7H2,(H,21,22)/b20-14+" . "Cn1c(cc2c(c1=O)c(no2)c1ccccc1)c1ccccc1" . "Cn1c(cc2c(c1=O)c(no2)c1ccccc1)c1ccccc1" . "LCNDUGHNYMJGIW-UHFFFAOYSA-N" . "InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3" . "CCc1nc2c(o1)CC(CC2=O)c1ccc(cc1C)C" . "CCc1nc2c(o1)CC(CC2=O)c1ccc(cc1C)C" . "CPKZCQHJDFSOJT-UHFFFAOYSA-N" . "InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3" . "O=c1cc(oc2c1ccc1c2cccc1)N1CCOCC1" . "O=c1cc(oc2c1ccc1c2cccc1)N1CCOCC1" . "KKTZALUTXUZPSN-UHFFFAOYSA-N" . "InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2" . "CCC(c1ccc(cc1)NC(=O)CSCc1ccc(cc1)Br)C" . "CCC(c1ccc(cc1)NC(=O)CSCc1ccc(cc1)Br)C" . "QKUYZJOTWYRWNF-UHFFFAOYSA-N" . "InChI=1S/C19H22BrNOS/c1-3-14(2)16-6-10-18(11-7-16)21-19(22)13-23-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)" . "COc1ccc(cc1)c1cnc2n(c1)ncc2c1cscc1" . "COc1ccc(cc1)c1cnc2n(c1)ncc2c1cscc1" . "HBWLNACPIFKNIP-UHFFFAOYSA-N" . "InChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)14-8-18-17-16(9-19-20(17)10-14)13-6-7-22-11-13/h2-11H,1H3" . "C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)OC" . "C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)OC" . "WIAAIYJUCDAKFY-UHFFFAOYSA-N" . "InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)" . "C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)Cl" . "C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)Cl" . "MAYHTEHJUHRFSA-UHFFFAOYSA-N" . "InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)" . "CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C" . "CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)[18F])C)C" . "WIVGIKIKQHUFOD-AWDFDDCISA-N" . "InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)/i19-1" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C" . "[11CH3]Oc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C" . "COQPVKMATNFNLG-KTXUZGJCSA-N" . "InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3/i3-1" . "CCc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C" . "CCc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C" . "VCUKKMIXURRDKL-UHFFFAOYSA-N" . "InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)C" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)C" . "RIMQNIZNDUNPQK-UHFFFAOYSA-N" . "InChI=1S/C16H13N5OS/c1-8-3-5-10(6-4-8)21-7-18-12-11-14(17)19-9(2)20-15(11)23-13(12)16(21)22/h3-7H,1-2H3,(H2,17,19,20)" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)N" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)N" . "NGINYBBVZOLUBV-UHFFFAOYSA-N" . "InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)" . "OCC1CCN(CC1)c1ncc(nc1)C(=O)NC1CCCCC1" . "OCC1CCN(CC1)c1ncc(nc1)C(=O)NC1CCCCC1" . "JKQOZEOZKKMWQL-UHFFFAOYSA-N" . "InChI=1S/C17H26N4O2/c22-12-13-6-8-21(9-7-13)16-11-18-15(10-19-16)17(23)20-14-4-2-1-3-5-14/h10-11,13-14,22H,1-9,12H2,(H,20,23)" . "O=C(c1ccc(cc1)N(=O)=O)Nc1c(cnn1c1ccccc1)c1ccccc1" . "O=C(c1ccc(cc1)N(=O)=O)Nc1c(cnn1c1ccccc1)c1ccccc1" . "UCQCMSNDKYLLFD-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)24-21-20(16-7-3-1-4-8-16)15-23-25(21)18-9-5-2-6-10-18/h1-15H,(H,24,27)" . "CCn1nnc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2" . "CCn1nnc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2" . "HVTLYEBQNBWUIT-UHFFFAOYSA-N" . "InChI=1S/C17H15N5O2/c1-2-22-20-17(19-21-22)18-16(23)15-11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3,(H,18,20,23)" . "O=C(C1c2ccccc2Oc2c1cccc2)Nc1noc(n1)C" . "O=C(C1c2ccccc2Oc2c1cccc2)Nc1noc(n1)C" . "KXBNLKGEYKHKAO-UHFFFAOYSA-N" . "InChI=1S/C17H13N3O3/c1-10-18-17(20-23-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,19,20,21)" . "O=C(C1c2ccccc2Oc2c1cccc2)Nc1occ(n1)C(F)(F)F" . "O=C(C1c2ccccc2Oc2c1cccc2)Nc1occ(n1)C(F)(F)F" . "GSGDLBUOSWGZER-UHFFFAOYSA-N" . "InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)" . "CC1C(COP(=O)(CP(=O)(O)O)O)OC(C1C)n1ccc(=O)[nH]c1=S" . "C[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1C)n1ccc(=O)[nH]c1=S" . "HGGLEWIKYOGGHB-YSSBGUOXSA-N" . "InChI=1S/C12H20N2O8P2S/c1-7-8(2)11(14-4-3-10(15)13-12(14)25)22-9(7)5-21-24(19,20)6-23(16,17)18/h3-4,7-9,11H,5-6H2,1-2H3,(H,19,20)(H,13,15,25)(H2,16,17,18)/t7-,8+,9+,11+/m0/s1" . "OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=S" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S" . "BMJOHSBBMARQHC-XVFCMESISA-N" . "InChI=1S/C9H14N2O11P2S/c12-5-1-2-11(9(25)10-5)8-7(14)6(13)4(21-8)3-20-24(18,19)22-23(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,10,12,25)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1" . "OC1C(O)C(OC1n1ccc(=O)nc1N)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)nc1N)COP(=O)(O)O" . "ONSQLDCEJIIUJS-XVFCMESISA-N" . "InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" . "FC(C(c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F" . "FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F" . "UJINBEQCDMOAHM-SFHVURJKSA-N" . "InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1" . "OC1C(O)C(OC1n1ccc(=NOCCc2ccccc2)[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc/c(=N/OCCc2ccccc2)/[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "WREOTYWODABZMH-DTZQCDIJSA-N" . "InChI=1S/C17H24N3O15P3/c21-14-12(10-32-37(27,28)35-38(29,30)34-36(24,25)26)33-16(15(14)22)20-8-6-13(18-17(20)23)19-31-9-7-11-4-2-1-3-5-11/h1-6,8,12,14-16,21-22H,7,9-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1" . "CCCCCC(C=CC=CCC=CC=CC(=O)CCCC(=O)O)O" . "CCCCC[C@@H](/C=C/C=C/C/C=C/C=C/C(=O)CCCC(=O)O)O" . "RIUDRKHGFDAKPO-WWWYWCMOSA-N" . "InChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18,21H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-/m0/s1" . "OCC1OC(OP(=O)(OP(=O)(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)C2C=CC(=O)NC2=O)O)O)O)O)C(C(C1O)F)O" . "OC[C@H]1O[C@H](OP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)C2C=CC(=O)NC2=O)O)O)O)O)[C@@H]([C@H]([C@@H]1O)F)O" . "SMNRFWMNPDABKZ-WVALLCKVSA-N" . "InChI=1S/C16H26FNO22P4/c17-9-10(21)6(3-19)36-16(12(9)23)37-42(28,29)39-44(32,33)40-43(30,31)38-41(26,27)34-4-7-11(22)13(24)14(35-7)5-1-2-8(20)18-15(5)25/h1-2,5-7,9-14,16,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,18,20,25)/t5?,6-,7-,9+,10-,11-,12-,13-,14+,16-/m1/s1" . "OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOC1CCCCC1)C(=O)O" . "OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOC1CCCCC1)C(=O)O" . "HRJWSEPIRZRGCL-UHFFFAOYSA-N" . "InChI=1S/C34H45NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h13-18,23,25,27-28H,1-12,19-22H2,(H,35,36)(H,37,38)(H,39,40)" . "OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOc1ccccc1)C(=O)O" . "OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOc1ccccc1)C(=O)O" . "GKPAULTWHHPIHX-UHFFFAOYSA-N" . "InChI=1S/C34H39NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h1-3,11-18,23,25,27H,4-10,19-22H2,(H,35,36)(H,37,38)(H,39,40)" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SC[CH]C(=O)NCC(=O)O" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[CH]C(=O)NCC(=O)O" . "REQYIPCNJGLJSE-FSKXFZJASA-N" . "InChI=1S/C25H38NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(27)15-14-17-24(29)30)33-19-18-23(28)26-20-25(31)32/h6-7,9-13,16,18,21-22,27H,2-5,8,14-15,17,19-20H2,1H3,(H,26,28)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t21-,22+/m0/s1" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC" . "FPLBRCJNODNRQZ-LZHUJPGBSA-N" . "InChI=1S/C31H49N3O9S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(25(35)16-15-18-28(37)38)44-22-24(30(41)33-21-29(39)40)34-27(36)20-19-23(32-2)31(42)43/h7-8,10-14,17,23-26,32,35H,3-6,9,15-16,18-22H2,1-2H3,(H,33,41)(H,34,36)(H,37,38)(H,39,40)(H,42,43)/b8-7-,11-10-,13-12+,17-14+/t23?,24?,25-,26+/m0/s1" . "OC(=O)CCSC(c1cccc(c1)C=Cc1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C" . "OC(=O)CCS[C@H](c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C" . "AXUZQJFHDNNPFG-LHAVAQOQSA-N" . "InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1" . "CC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)c1ccccc1" . "CC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)c1ccccc1" . "OXMOOJYZUSQLNA-UHFFFAOYSA-N" . "InChI=1S/C29H30N4O3/c1-20(32-28(35)22-12-6-3-7-13-22)27(34)33-26(18-23-19-31-25-15-9-8-14-24(23)25)29(36)30-17-16-21-10-4-2-5-11-21/h2-15,19-20,26,31H,16-18H2,1H3,(H,30,36)(H,32,35)(H,33,34)" . "OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1" . "OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1" . "OENIXTHWZWFYIV-UHFFFAOYSA-N" . "InChI=1S/C24H26N2O2/c27-24(28)22-8-4-3-7-21(22)19-12-9-17(10-13-19)11-14-23-25-16-20(26-23)15-18-5-1-2-6-18/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28)" . "CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C" . "CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C" . "WVAKRQOMAINQPU-UHFFFAOYSA-N" . "InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)" . "OCCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O" . "OCCCCC/C=C/C/C=C/C/C=C/C=C/C(=O)CCCC(=O)O" . "DTSRZRUIWKDHMR-DHYYJNSCSA-N" . "InChI=1S/C20H30O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,21H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/b4-2-,5-3-,10-8-,15-12+" . "OC1C(COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1" . "O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1" . "NZQDWKCNBOELAI-KSFYIVLOSA-N" . "InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1" . "[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCCC(C(=O)NC(C(=O)NC2CC[NH+](CC2)C)Cc2cn(c[n+]2C)Cc2ccccc2)NC(=O)CC2=CSC(=N)[NH+]2C)ccc(=[N+](CC)CC)c1)CC" . "[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCCC(C(=O)NC(C(=O)NC2CC[NH+](CC2)C)Cc2cn(c[n+]2C)Cc2ccccc2)NC(=O)CC2=CSC(=N)[NH+]2C)ccc(=[N+](CC)CC)c1)CC" . "SEZVZMIKECAWEG-UHFFFAOYSA-O" . "InChI=1S/C72H101N13O10S3.3C2HF3O2/c1-8-84(9-2)54-30-33-59-64(44-54)95-65-45-55(85(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)98(92,93)94)97(90,91)76-40-25-19-17-15-13-12-14-16-18-24-38-74-72(89)75-39-26-23-29-62(78-67(86)46-57-50-96-71(73)82(57)7)69(87)79-63(70(88)77-53-36-41-80(5)42-37-53)43-56-49-83(51-81(56)6)48-52-27-21-20-22-28-52;3*3-2(4,5)1(6)7/h20-22,27-28,30-35,44-45,47,49-51,53,62-63,73,76H,8-19,23-26,29,36-43,46,48H2,1-7H3,(H4-2,74,75,77,78,79,86,87,88,89,92,93,94);3*(H,6,7)/p+1" . "COC(=O)C1=CC(O)C(C(C1Oc1c(Cl)c(C)c(c2c1C(=O)C1(O2)C(=CC(=O)C=C1C(=O)OC)OC)Cl)O)O" . "COC(=O)C1=C[C@@H](O)[C@H]([C@@H]([C@@H]1Oc1c(Cl)c(C)c(c2c1C(=O)[C@@]1(O2)C(=CC(=O)C=C1C(=O)OC)OC)Cl)O)O" . "LNGFWDFUPRZMJI-VEHFIHCQSA-N" . "InChI=1S/C25H22Cl2O12/c1-8-15(26)20(38-19-10(23(33)36-3)7-12(29)17(30)18(19)31)14-21(16(8)27)39-25(22(14)32)11(24(34)37-4)5-9(28)6-13(25)35-2/h5-7,12,17-19,29-31H,1-4H3/t12-,17-,18+,19-,25+/m1/s1" . "CC(CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1NCc2c(C1)c1ccccc1[nH]2)CCC(=O)N)C)CNC(C(=O)N)CC(C)C)C" . "CC(C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2)CCC(=O)N)C)CN[C@H](C(=O)N)CC(C)C)C" . "IUYCRRDHLJIJBB-QAGBKCHLSA-N" . "InChI=1S/C56H79N15O9/c1-29(2)18-35(25-61-42(50(58)74)19-30(3)4)66-55(79)45(21-34-24-59-28-64-34)68-48(73)27-63-56(80)49(31(5)6)71-51(75)32(7)65-54(78)44(20-33-23-60-39-14-10-8-12-36(33)39)70-52(76)41(16-17-47(57)72)69-53(77)43-22-38-37-13-9-11-15-40(37)67-46(38)26-62-43/h8-15,23-24,28-32,35,41-45,49,60-62,67H,16-22,25-27H2,1-7H3,(H2,57,72)(H2,58,74)(H,59,64)(H,63,80)(H,65,78)(H,66,79)(H,68,73)(H,69,77)(H,70,76)(H,71,75)/t32-,35-,41-,42-,43+,44-,45-,49-/m0/s1" . "CC(CC(C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)CC(C(NC(C(N(C(=O)C(CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C" . "CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C" . "DAWSYEXBFLQUER-SLMIJXFKSA-P" . "InChI=1S/C49H80N8O7/c1-33(2)23-40(45(60)51-29-36-21-16-22-37(24-36)31-57(7,8)9)53-44(59)28-43(58)39(25-34-17-12-10-13-18-34)54-46(61)42(27-38-30-50-32-52-38)56(6)47(62)41(26-35-19-14-11-15-20-35)55-48(63)64-49(3,4)5/h11,14,19,21,24,30,32-34,39-43,46,54,58,61H,10,12-13,15-18,20,22-23,25-29,31H2,1-9H3,(H3-,50,51,52,53,55,59,60,63)/p+2/t39-,40-,41-,42-,43-,46?/m0/s1" . "CSCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCSC)CC(C)C)Cc1c[nH]cn1)C(C)C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]cn1)CC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O)N " . "CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C" . "MJHJYGACUDLDMG-QEJDUTAOSA-N" . "InChI=1S/C75H109N23O17S2/c1-39(2)26-52(67(107)92-51(74(114)115)21-25-117-7)93-68(108)54(29-44-33-80-37-86-44)89-61(102)36-85-72(112)62(40(3)4)97-63(103)41(5)88-66(106)53(28-43-32-83-49-13-9-8-12-47(43)49)94-69(109)55(30-45-34-81-38-87-45)95-70(110)56(31-59(77)100)90-60(101)35-84-65(105)50(14-10-22-82-75(78)79)91-71(111)58-15-11-23-98(58)73(113)57(27-42-16-18-46(99)19-17-42)96-64(104)48(76)20-24-116-6/h8-9,12-13,16-19,32-34,37-41,48,50-58,62,83,99H,10-11,14-15,20-31,35-36,76H2,1-7H3,(H2,77,100)(H,80,86)(H,81,87)(H,84,105)(H,85,112)(H,88,106)(H,89,102)(H,90,101)(H,91,111)(H,92,107)(H,93,108)(H,94,109)(H,95,110)(H,96,104)(H,97,103)(H,114,115)(H4,78,79,82)/t41-,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1" . "CCCCCCc1cc2c(n1C(=O)CCCC(=O)O)cc(cc2)Cl" . "CCCCCCc1cc2c(n1C(=O)CCCC(=O)O)cc(cc2)Cl" . "KNTPSPKZGNVRML-UHFFFAOYSA-N" . "InChI=1S/C19H24ClNO3/c1-2-3-4-5-7-16-12-14-10-11-15(20)13-17(14)21(16)18(22)8-6-9-19(23)24/h10-13H,2-9H2,1H3,(H,23,24)" . "CSc1nc2c(s1)c1sc(nc1cc2)NC(=O)C(c1ccccc1)c1ccccc1" . "CSc1nc2c(s1)c1sc(nc1cc2)NC(=O)C(c1ccccc1)c1ccccc1" . "UFOBDFMYJABXGK-UHFFFAOYSA-N" . "InChI=1S/C23H17N3OS3/c1-28-23-25-17-13-12-16-19(20(17)30-23)29-22(24-16)26-21(27)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3,(H,24,26,27)" . "CCCCCC=CCC(C=CC=CC=CC(=O)CCCC(=O)O)O" . "CCCCC/C=C/C[C@@H](/C=C/C=C/C=C/C(=O)CCCC(=O)O)O" . "MLZJFLKEKVDNAZ-XPKTZJOPSA-N" . "InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-/m0/s1" . "CSCCC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)N)N)CC(C)C)C)CO)CC(C)C " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)O" . "SJZDDUZIBZZQHY-DLDZJLLMSA-N" . "InChI=1S/C46H73N11O12S/c1-23(2)17-32(54-40(62)29(47)13-14-36(48)59)43(65)56-34(19-27-20-49-30-12-10-9-11-28(27)30)41(63)51-26(7)39(61)57-38(25(5)6)45(67)50-21-37(60)52-35(22-58)44(66)55-33(18-24(3)4)42(64)53-31(46(68)69)15-16-70-8/h9-12,20,23-26,29,31-35,38,49,58H,13-19,21-22,47H2,1-8H3,(H2,48,59)(H,50,67)(H,51,63)(H,52,60)(H,53,64)(H,54,62)(H,55,66)(H,56,65)(H,57,61)(H,68,69)/t26-,29-,31-,32-,33-,34-,35-,38-/m0/s1" . "CSCCC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)N)N)CC(C)C)C)CO)Cc1ccccc1 " . "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)O" . "SNQDMSYYFPNXBD-QLGZLCMKSA-N" . "InChI=1S/C49H71N11O12S/c1-26(2)20-35(57-43(65)32(50)16-17-39(51)62)45(67)59-37(22-30-23-52-33-15-11-10-14-31(30)33)44(66)54-28(5)42(64)60-41(27(3)4)48(70)53-24-40(63)55-38(25-61)47(69)58-36(21-29-12-8-7-9-13-29)46(68)56-34(49(71)72)18-19-73-6/h7-15,23,26-28,32,34-38,41,52,61H,16-22,24-25,50H2,1-6H3,(H2,51,62)(H,53,70)(H,54,66)(H,55,63)(H,56,68)(H,57,65)(H,58,69)(H,59,67)(H,60,64)(H,71,72)/t28-,32-,34-,35-,36-,37-,38-,41-/m0/s1" . "CSCCC(C(=O)O)NC(=O)C(NC(=O)C(Cc1nc[nH]c1)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)N)N)CC(C)C)C)Cc1ccccc1 " . "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)O" . "SVUYIHOQEOWECO-SRURJFDISA-N" . "InChI=1S/C51H71N13O12S/c1-27(2)19-37(61-45(69)34(52)15-16-41(53)66)47(71)63-39(21-31-23-55-35-14-10-9-13-33(31)35)46(70)58-28(3)44(68)64-43(29(4)65)50(74)56-25-42(67)59-40(22-32-24-54-26-57-32)49(73)62-38(20-30-11-7-6-8-12-30)48(72)60-36(51(75)76)17-18-77-5/h6-14,23-24,26-29,34,36-40,43,55,65H,15-22,25,52H2,1-5H3,(H2,53,66)(H,54,57)(H,56,74)(H,58,70)(H,59,67)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,68)(H,75,76)/t28-,29+,34-,36-,37-,38-,39-,40-,43-/m0/s1" . "CCCCCCCCCC=CC=CC(=O)CCCC(=O)O" . "CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)O" . "YVWMHFYOIJMUMN-HSINTONASA-N" . "InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10-,14-12+" . "OC(=O)CCCC=C1CCCCC1C=CC=CC(C1(CCC1)CC#Cc1ccccc1)O" . "OC(=O)CCC/C=C/1/CCCCC1/C=C/C=C/C(C1(CCC1)CC#Cc1ccccc1)O" . "HILRZHRCCODTSA-AHQVELJISA-N" . "InChI=1S/C29H36O3/c30-27(29(22-11-23-29)21-10-14-24-12-2-1-3-13-24)19-8-6-17-25-15-4-5-16-26(25)18-7-9-20-28(31)32/h1-3,6,8,12-13,17-19,25,27,30H,4-5,7,9,11,15-16,20-23H2,(H,31,32)/b17-6+,19-8+,26-18+" . "CCCCC(=O)N(c1ccccc1)Cc1ccc(cc1)c1ccccc1C(=O)O" . "CCCCC(=O)N(c1ccccc1)Cc1ccc(cc1)c1ccccc1C(=O)O" . "IUJTVDNJFPZYBL-UHFFFAOYSA-N" . "InChI=1S/C25H25NO3/c1-2-3-13-24(27)26(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(28)29/h4-12,14-17H,2-3,13,18H2,1H3,(H,28,29)" . "CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O" . "CCCCC/C=C/C[C@@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O" . "VNYSSYRCGWBHLG-CBBLYLIKSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1" . "CCCCCC(C=CC=CCC=CCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)O" . "KUKJHGXXZWHSBG-WBGSEQOASA-N" . "InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1" . "OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O" . "OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O" . "SRPFDFNVILUDAI-UHFFFAOYSA-N" . "InChI=1S/C36H38O8S/c37-35(38)10-6-17-42-32-9-5-8-25(31(32)12-14-36(39)40)7-3-1-2-4-16-41-30-20-28(19-29(21-30)27-15-18-45-23-27)26-11-13-33-34(22-26)44-24-43-33/h5,8-9,11,13,15,18-23H,1-4,6-7,10,12,14,16-17,24H2,(H,37,38)(H,39,40)" . "COc1ccc(cc1)C=CCCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O" . "COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O" . "JOPSSWGWLCLPPF-RUDMXATFSA-N" . "InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+" . "CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O" . "CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O" . "ZVVCSBSDFGYRCB-UHFFFAOYSA-N" . "InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)" . "Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C" . "Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C" . "MBLJFKQACMILLC-UHFFFAOYSA-N" . "InChI=1S/C30H30N2O3/c1-30(2,24-8-12-26(33)13-9-24)25-10-16-28(17-11-25)35-20-22-5-3-4-21(18-22)19-34-27-14-6-23(7-15-27)29(31)32/h3-18,33H,19-20H2,1-2H3,(H3,31,32)" . "OC1C(COP(=O)(OP(=O)(C(P(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)S)O)Cl)O)S)OC(C1O)n1cnc2c1ncnc2N" . "O[C@H]1C(COP(=O)(OP(=O)(C(P(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2cnc3c2ncnc3N)S)O)Cl)O)S)O[C@H]([C@H]1O)n1cnc2c1ncnc2N" . "SQXLFBVOQBYLCG-BUWSHSPFSA-N" . "InChI=1S/C21H29ClN10O16P4S2/c22-21(49(37,38)47-51(41,53)43-1-7-11(33)13(35)19(45-7)31-5-29-9-15(23)25-3-27-17(9)31)50(39,40)48-52(42,54)44-2-8-12(34)14(36)20(46-8)32-6-30-10-16(24)26-4-28-18(10)32/h3-8,11-14,19-21,33-36H,1-2H2,(H,37,38)(H,39,40)(H,41,53)(H,42,54)(H2,23,25,27)(H2,24,26,28)/t7-,8?,11+,12+,13?,14+,19-,20-,21?,51?,52?/m1/s1" . "CCCSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(SCC(C([3H])([3H])[3H])([3H])[3H])nc2N)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O" . "ZLIAJZQKKBOFJR-WNJXVAICSA-N" . "InChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1/i1T3,2T2" . "OCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)CC(C)C)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CCC(=O)N)CC(C)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)C)CCC(=O)O)CC(=O)O)CC(C)C)CCC(=O)N)CCC(=O)N)CCC(=O)O)CC(C)C)C " . "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O" . "VOUAQYXWVJDEQY-QENPJCQMSA-N" . "InChI=1S/C129H211N35O48/c1-58(2)42-77(155-113(195)74(31-39-102(184)185)151-127(209)105(65(15)16)162-114(196)71(25-32-88(131)167)145-95(174)54-141-126(208)104(64(13)14)161-115(197)72(26-33-89(132)168)150-118(200)80(45-61(7)8)156-121(203)83(48-103(186)187)159-112(194)73(30-38-101(182)183)148-107(189)67(18)143-109(191)69(130)24-36-99(178)179)111(193)138-50-93(172)135-49-92(171)136-55-98(177)163-40-20-22-86(163)124(206)140-51-94(173)142-66(17)106(188)137-52-96(175)146-84(56-165)122(204)157-81(46-62(9)10)119(201)152-75(27-34-90(133)169)128(210)164-41-21-23-87(164)125(207)160-78(43-59(3)4)116(198)144-68(19)108(190)154-79(44-60(5)6)117(199)149-70(29-37-100(180)181)110(192)139-53-97(176)147-85(57-166)123(205)158-82(47-63(11)12)120(202)153-76(129(211)212)28-35-91(134)170/h58-87,104-105,165-166H,20-57,130H2,1-19H3,(H2,131,167)(H2,132,168)(H2,133,169)(H2,134,170)(H,135,172)(H,136,171)(H,137,188)(H,138,193)(H,139,192)(H,140,206)(H,141,208)(H,142,173)(H,143,191)(H,144,198)(H,145,174)(H,146,175)(H,147,176)(H,148,189)(H,149,199)(H,150,200)(H,151,209)(H,152,201)(H,153,202)(H,154,190)(H,155,195)(H,156,203)(H,157,204)(H,158,205)(H,159,194)(H,160,207)(H,161,197)(H,162,196)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,211,212)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,104-,105-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "GGBMOXFFZWACOW-QTRPWDSUSA-N" . "InChI=1S/C144H209N41O40/c1-15-74(10)117(183-120(201)76(12)163-127(208)100(51-83-59-151-67-159-83)178-140(221)109-31-24-42-185(109)114(195)64-158-122(203)93(43-70(2)3)169-128(209)95(45-72(6)7)170-130(211)98(49-81-34-38-87(190)39-35-81)166-112(193)62-156-119(200)75(11)162-138(219)107(65-186)182-135(216)104(55-111(148)192)175-129(210)96(46-73(8)9)179-142(223)118(78(14)188)184-121(202)89(146)50-82-58-155-90-28-20-19-27-88(82)90)141(222)180-106(57-116(198)199)137(218)176-103(54-110(147)191)134(215)174-101(52-84-60-152-68-160-84)132(213)168-92(30-23-41-154-144(149)150)125(206)181-108(66-187)139(220)172-99(47-79-25-17-16-18-26-79)131(212)173-102(53-85-61-153-69-161-85)133(214)177-105(56-115(196)197)136(217)167-91(29-21-22-40-145)124(205)171-97(48-80-32-36-86(189)37-33-80)123(204)157-63-113(194)165-94(44-71(4)5)126(207)164-77(13)143(224)225/h16-20,25-28,32-39,58-61,67-78,89,91-109,117-118,155,186-190H,15,21-24,29-31,40-57,62-66,145-146H2,1-14H3,(H2,147,191)(H2,148,192)(H,151,159)(H,152,160)(H,153,161)(H,156,200)(H,157,204)(H,158,203)(H,162,219)(H,163,208)(H,164,207)(H,165,194)(H,166,193)(H,167,217)(H,168,213)(H,169,209)(H,170,211)(H,171,205)(H,172,220)(H,173,212)(H,174,215)(H,175,210)(H,176,218)(H,177,214)(H,178,221)(H,179,223)(H,180,222)(H,181,206)(H,182,216)(H,183,201)(H,184,202)(H,196,197)(H,198,199)(H,224,225)(H4,149,150,154)/t74-,75-,76-,77-,78+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118-/m0/s1" . "O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1" . "O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1" . "FWYVRZOREBYLCY-UHFFFAOYSA-N" . "InChI=1S/C23H22ClN5O2S/c1-13-26-27-19-12-25-21(15-4-2-3-5-17(15)24)20-16-10-14(11-18(16)32-23(20)29(13)19)22(30)28-6-8-31-9-7-28/h2-5,14H,6-12H2,1H3" . "NC(c1ccc(c(c1)O)C(=O)O)C(=O)O" . "N[C@@H](c1ccc(c(c1)O)C(=O)O)C(=O)O" . "GXZSAQLJWLCLOX-ZETCQYMHSA-N" . "InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1" . "OC(=O)CCC=CCC1COC(OC1c1ccccc1O)c1ccccc1Cl" . "OC(=O)CC/C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl" . "WHUIENZXNGAHQI-BNGKFCBFSA-N" . "InChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1+/t15-,21+,22+/m1/s1" . "CCCCCC(CCC1C2OC(=O)OC(C1CC=CCCCC(=O)O)C2)O" . "CCCCC[C@@H](CC[C@H]1[C@@H]2OC(=O)O[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2)O" . "CVQLYMOSZQTFDP-NFUXFLSFSA-N" . "InChI=1S/C21H34O6/c1-2-3-6-9-15(22)12-13-17-16(10-7-4-5-8-11-20(23)24)18-14-19(17)27-21(25)26-18/h4,7,15-19,22H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/t15-,16+,17+,18-,19+/m0/s1" . "Clc1ccc(c(c1)c1ccsc1c1cncc(c1)C(C(F)(F)F)(O)O)OCc1ccccc1" . "Clc1ccc(c(c1)c1ccsc1c1cncc(c1)C(C(F)(F)F)(O)O)OCc1ccccc1" . "JCCQFQOPADDTRS-UHFFFAOYSA-N" . "InChI=1S/C24H17ClF3NO3S/c25-18-6-7-21(32-14-15-4-2-1-3-5-15)20(11-18)19-8-9-33-22(19)16-10-17(13-29-12-16)23(30,31)24(26,27)28/h1-13,30-31H,14H2" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "WVFODTWUOPGPAP-CIJSCKBQSA-N" . "InChI=1S/C146H212N42O41/c1-15-75(10)119(186-122(205)77(12)165-128(211)101(51-84-60-153-68-161-84)181-142(225)110-31-24-42-188(110)116(199)65-160-123(206)93(43-71(2)3)172-129(212)95(45-73(6)7)173-131(214)98(49-82-34-38-88(193)39-35-82)169-114(197)63-158-121(204)76(11)164-140(223)108(66-189)185-136(219)105(55-112(150)195)178-130(213)96(46-74(8)9)182-144(227)120(79(14)191)187-139(222)100(167-113(196)58-148)50-83-59-157-90-28-20-19-27-89(83)90)143(226)183-107(57-118(202)203)138(221)179-104(54-111(149)194)135(218)177-102(52-85-61-154-69-162-85)133(216)171-92(30-23-41-156-146(151)152)126(209)184-109(67-190)141(224)175-99(47-80-25-17-16-18-26-80)132(215)176-103(53-86-62-155-70-163-86)134(217)180-106(56-117(200)201)137(220)170-91(29-21-22-40-147)125(208)174-97(48-81-32-36-87(192)37-33-81)124(207)159-64-115(198)168-94(44-72(4)5)127(210)166-78(13)145(228)229/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,157,189-193H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,194)(H2,150,195)(H,153,161)(H,154,162)(H,155,163)(H,158,204)(H,159,207)(H,160,206)(H,164,223)(H,165,211)(H,166,210)(H,167,196)(H,168,198)(H,169,197)(H,170,220)(H,171,216)(H,172,212)(H,173,214)(H,174,208)(H,175,224)(H,176,215)(H,177,218)(H,178,213)(H,179,221)(H,180,217)(H,181,225)(H,182,227)(H,183,226)(H,184,209)(H,185,219)(H,186,205)(H,187,222)(H,200,201)(H,202,203)(H,228,229)(H4,151,152,156)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1" . "Brc1ccc2c(c1)C(=Cc1cc3c([nH]1)CCCC3)C(=O)N2" . "Brc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)/C(=O)N2" . "RFHPWPWVGFSLOP-ZROIWOOFSA-N" . "InChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-" . "COc1ccc(cn1)N1C(=O)C(=Nc2ccc(c(c2)Cl)Cl)c2c1cccc2" . "COc1ccc(cn1)N1C(=O)/C(=N/c2ccc(c(c2)Cl)Cl)/c2c1cccc2" . "YZFBJQVMOLTGFZ-LYBHJNIJSA-N" . "InChI=1S/C20H13Cl2N3O2/c1-27-18-9-7-13(11-23-18)25-17-5-3-2-4-14(17)19(20(25)26)24-12-6-8-15(21)16(22)10-12/h2-11H,1H3/b24-19+" . "O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1ccccc1)cccc2" . "O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1ccccc1)cccc2" . "TXCGMRVPXUBHAL-UHFFFAOYSA-N" . "InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H" . "O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2" . "O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2" . "HXCJZIBJTFITNI-UHFFFAOYSA-N" . "InChI=1S/C27H24F3N3O2/c28-27(29,30)19-7-5-8-20(17-19)31-25-23-11-1-2-12-24(23)33(26(25)34)21-9-6-10-22(18-21)35-16-15-32-13-3-4-14-32/h1-2,5-12,17-18H,3-4,13-16H2" . "Cc1ccc(cc1)C1=CS(=O)(=O)CCCS1(=O)=O" . "Cc1ccc(cc1)C1=CS(=O)(=O)CCCS1(=O)=O" . "KZYCUCAZAITGMW-UHFFFAOYSA-N" . "InChI=1S/C12H14O4S2/c1-10-3-5-11(6-4-10)12-9-17(13,14)7-2-8-18(12,15)16/h3-6,9H,2,7-8H2,1H3" . "OCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CCCN=C(N)N)CC(C)C)CC(C)C)CCC(=O)N)C(O)C)CCC(=O)N)CCCN=C(N)N)C)CCCN=C(N)N)C(O)C)CCCN=C(N)N)CCC(=O)N)Cc1ccccc1)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(N)C)C)Cc1nc[nH]c1)CCCN=C(N)N)CO " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O" . "ZEJHQMBBBMTXNG-JSFGTRHUSA-N" . "InChI=1S/C119H199N45O35/c1-56(2)46-74(100(184)145-69(27-17-41-138-118(130)131)96(180)158-80(54-167)114(198)199)154-101(185)75(47-57(3)4)153-98(182)71(33-36-85(122)172)150-108(192)88(61(8)168)159-99(183)72(34-37-86(123)173)147-94(178)66(24-14-38-135-115(124)125)144-87(174)51-140-91(175)59(6)142-93(177)67(25-15-39-136-116(126)127)149-109(193)90(63(10)170)161-107(191)83-31-21-44-163(83)112(196)73(28-18-42-139-119(132)133)151-97(181)70(32-35-84(121)171)148-106(190)82-30-20-45-164(82)113(197)77(48-64-22-12-11-13-23-64)155-110(194)89(62(9)169)160-104(188)79(53-166)157-103(187)78(52-165)156-95(179)68(26-16-40-137-117(128)129)146-102(186)76(49-65-50-134-55-141-65)152-92(176)60(7)143-105(189)81-29-19-43-162(81)111(195)58(5)120/h11-13,22-23,50,55-63,66-83,88-90,165-170H,14-21,24-49,51-54,120H2,1-10H3,(H2,121,171)(H2,122,172)(H2,123,173)(H,134,141)(H,140,175)(H,142,177)(H,143,189)(H,144,174)(H,145,184)(H,146,186)(H,147,178)(H,148,190)(H,149,193)(H,150,192)(H,151,181)(H,152,176)(H,153,182)(H,154,185)(H,155,194)(H,156,179)(H,157,187)(H,158,180)(H,159,183)(H,160,188)(H,161,191)(H,198,199)(H4,124,125,135)(H4,126,127,136)(H4,128,129,137)(H4,130,131,138)(H4,132,133,139)/t58-,59-,60-,61+,62+,63+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-,89-,90-/m0/s1" . "CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)C)Cc1nc[nH]c1)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(C)C)CCC(=O)N" . "CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)Cc1nc[nH]c1)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(C)C)CCC(=O)N" . "XKXOALDYCBSJGJ-VGPQRCSDSA-N" . "InChI=1S/C141H218N44O41S/c1-67(2)43-88(121(207)160-63-111(197)184-40-21-27-101(184)135(221)182-114(72(11)12)136(222)177-90(45-69(5)6)125(211)175-95(51-79-57-151-66-162-79)129(215)179-98(47-71(9)10)138(224)185-41-22-28-102(185)134(220)171-86(34-36-104(144)190)122(208)170-87(37-42-227-16)120(206)159-62-110(196)167-97(53-112(198)199)131(217)169-85(33-35-103(143)189)123(209)180-99(139(225)226)54-113(200)201)173-124(210)89(44-68(3)4)174-127(213)92(48-76-29-31-80(188)32-30-76)165-109(195)60-156-117(203)74(14)163-133(219)100(64-186)181-130(216)96(52-105(145)191)176-126(212)91(46-70(7)8)178-137(223)115(75(15)187)183-132(218)93(49-77-55-154-82-24-18-17-23-81(77)82)166-107(193)59-155-106(192)58-157-118(204)83(25-19-38-152-140(146)147)164-108(194)61-158-119(205)84(26-20-39-153-141(148)149)168-128(214)94(172-116(202)73(13)142)50-78-56-150-65-161-78/h17-18,23-24,29-32,55-57,65-75,83-102,114-115,154,186-188H,19-22,25-28,33-54,58-64,142H2,1-16H3,(H2,143,189)(H2,144,190)(H2,145,191)(H,150,161)(H,151,162)(H,155,192)(H,156,203)(H,157,204)(H,158,205)(H,159,206)(H,160,207)(H,163,219)(H,164,194)(H,165,195)(H,166,193)(H,167,196)(H,168,214)(H,169,217)(H,170,208)(H,171,220)(H,172,202)(H,173,210)(H,174,213)(H,175,211)(H,176,212)(H,177,222)(H,178,223)(H,179,215)(H,180,209)(H,181,216)(H,182,221)(H,183,218)(H,198,199)(H,200,201)(H,225,226)(H4,146,147,152)(H4,148,149,153)/t73-,74-,75+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,114-,115-/m0/s1" . "NCC1OC(Cc2c1ccc(c2O)O)c1ccccc1" . "NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1" . "SUHGRZPINGKYNV-GJZGRUSLSA-N" . "InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1" . "O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2" . "O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2" . "QQUXFYAWXPMDOE-UHFFFAOYSA-N" . "InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)" . "CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(N)C)C)Cc1nc[nH]c1)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(C)C)CCC(=O)N " . "CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "QECBZQJTOLCHOO-NJXJWFHUSA-N" . "InChI=1S/C149H230N46O43S/c1-71(2)47-93(127(217)168-67-117(207)193-43-22-29-106(193)142(232)191-120(76(11)12)143(233)186-95(49-73(5)6)131(221)184-100(55-84-61-159-70-170-84)135(225)188-103(51-75(9)10)146(236)195-45-24-31-108(195)141(231)180-91(37-39-110(152)200)128(218)179-92(40-46-239-17)126(216)167-66-116(206)176-102(57-118(208)209)137(227)178-90(36-38-109(151)199)129(219)189-104(147(237)238)58-119(210)211)182-130(220)94(48-72(3)4)183-133(223)97(52-81-32-34-85(198)35-33-81)174-115(205)64-164-122(212)78(14)171-139(229)105(68-196)190-136(226)101(56-111(153)201)185-132(222)96(50-74(7)8)187-144(234)121(80(16)197)192-138(228)98(53-82-59-162-87-26-19-18-25-86(82)87)175-113(203)63-163-112(202)62-165-124(214)88(27-20-41-160-148(154)155)173-114(204)65-166-125(215)89(28-21-42-161-149(156)157)177-134(224)99(54-83-60-158-69-169-83)181-123(213)79(15)172-140(230)107-30-23-44-194(107)145(235)77(13)150/h18-19,25-26,32-35,59-61,69-80,88-108,120-121,162,196-198H,20-24,27-31,36-58,62-68,150H2,1-17H3,(H2,151,199)(H2,152,200)(H2,153,201)(H,158,169)(H,159,170)(H,163,202)(H,164,212)(H,165,214)(H,166,215)(H,167,216)(H,168,217)(H,171,229)(H,172,230)(H,173,204)(H,174,205)(H,175,203)(H,176,206)(H,177,224)(H,178,227)(H,179,218)(H,180,231)(H,181,213)(H,182,220)(H,183,223)(H,184,221)(H,185,222)(H,186,233)(H,187,234)(H,188,225)(H,189,219)(H,190,226)(H,191,232)(H,192,228)(H,208,209)(H,210,211)(H,237,238)(H4,154,155,160)(H4,156,157,161)/t77-,78-,79-,80+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,120-,121-/m0/s1" . "CCCCCC(C=CC1CC2CC(C1CC=CCCCC(=O)O)O2)O" . "CCCCC[C@@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O2)O" . "HAJUMEFPOWPAQL-IGUVKOCZSA-N" . "InChI=1S/C21H34O4/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19+,20-/m0/s1" . "NCCCCC(C(=O)OC)NC(=O)C1(C)NC(=O)c2nc(oc2C)C(C)(NC(=O)c2nc(C(NC(=O)c3nc1oc3C)(C)C(=O)NCC1CCCCC1)oc2C)C(=O)NC1c2ccccc2c2c1cccc2" . "NCCCC[C@@H](C(=O)OC)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc([C@](NC(=O)c3nc1oc3C)(C)C(=O)NCC1CCCCC1)oc2C)C(=O)NC1c2ccccc2c2c1cccc2" . "DOHGPSDHRIKTDB-KBAHWNQNSA-N" . "InChI=1S/C51H60N10O11/c1-26-36-41(64)61-51(6,45(68)55-38-32-21-13-11-19-30(32)31-20-12-14-22-33(31)38)48-58-37(28(3)72-48)40(63)60-50(5,44(67)54-34(42(65)69-7)23-15-16-24-52)47-57-35(27(2)71-47)39(62)59-49(4,46(56-36)70-26)43(66)53-25-29-17-9-8-10-18-29/h11-14,19-22,29,34,38H,8-10,15-18,23-25,52H2,1-7H3,(H,53,66)(H,54,67)(H,55,68)(H,59,62)(H,60,63)(H,61,64)/t34-,49-,50-,51-/m0/s1" . "NCCCCC(C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)C(NC(=O)OCC1c2ccccc2c2c1cccc2)CC1CCCCC1" . "NCCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC1CCCCC1" . "IKNOZZKXIDSTRN-PXLJZGITSA-N" . "InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48)/t34-,35-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "WVFODTWUOPGPAP-CIJSCKBQSA-N" . "InChI=1S/C146H212N42O41/c1-15-75(10)119(186-122(205)77(12)165-128(211)101(51-84-60-153-68-161-84)181-142(225)110-31-24-42-188(110)116(199)65-160-123(206)93(43-71(2)3)172-129(212)95(45-73(6)7)173-131(214)98(49-82-34-38-88(193)39-35-82)169-114(197)63-158-121(204)76(11)164-140(223)108(66-189)185-136(219)105(55-112(150)195)178-130(213)96(46-74(8)9)182-144(227)120(79(14)191)187-139(222)100(167-113(196)58-148)50-83-59-157-90-28-20-19-27-89(83)90)143(226)183-107(57-118(202)203)138(221)179-104(54-111(149)194)135(218)177-102(52-85-61-154-69-162-85)133(216)171-92(30-23-41-156-146(151)152)126(209)184-109(67-190)141(224)175-99(47-80-25-17-16-18-26-80)132(215)176-103(53-86-62-155-70-163-86)134(217)180-106(56-117(200)201)137(220)170-91(29-21-22-40-147)125(208)174-97(48-81-32-36-87(192)37-33-81)124(207)159-64-115(198)168-94(44-72(4)5)127(210)166-78(13)145(228)229/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,157,189-193H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,194)(H2,150,195)(H,153,161)(H,154,162)(H,155,163)(H,158,204)(H,159,207)(H,160,206)(H,164,223)(H,165,211)(H,166,210)(H,167,196)(H,168,198)(H,169,197)(H,170,220)(H,171,216)(H,172,212)(H,173,214)(H,174,208)(H,175,224)(H,176,215)(H,177,218)(H,178,213)(H,179,221)(H,180,217)(H,181,225)(H,182,227)(H,183,226)(H,184,209)(H,185,219)(H,186,205)(H,187,222)(H,200,201)(H,202,203)(H,228,229)(H4,151,152,156)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "UAOTUUKSRUXJQS-UDKLMHSUSA-N" . "InChI=1S/C102H153N31O28/c1-11-54(8)83(132-84(143)55(9)117-91(150)70(36-59-42-108-48-114-59)129-99(158)77-23-18-30-133(77)80(138)46-113-86(145)66(32-52(4)5)122-85(144)63(104)31-51(2)3)100(159)130-75(41-82(141)142)97(156)127-73(39-78(105)136)95(154)126-71(37-60-43-109-49-115-60)93(152)121-65(22-17-29-111-102(106)107)89(148)131-76(47-134)98(157)124-69(34-57-19-13-12-14-20-57)92(151)125-72(38-61-44-110-50-116-61)94(153)128-74(40-81(139)140)96(155)120-64(21-15-16-28-103)88(147)123-68(35-58-24-26-62(135)27-25-58)87(146)112-45-79(137)119-67(33-53(6)7)90(149)118-56(10)101(160)161/h12-14,19-20,24-27,42-44,48-56,63-77,83,134-135H,11,15-18,21-23,28-41,45-47,103-104H2,1-10H3,(H2,105,136)(H,108,114)(H,109,115)(H,110,116)(H,112,146)(H,113,145)(H,117,150)(H,118,149)(H,119,137)(H,120,155)(H,121,152)(H,122,144)(H,123,147)(H,124,157)(H,125,151)(H,126,154)(H,127,156)(H,128,153)(H,129,158)(H,130,159)(H,131,148)(H,132,143)(H,139,140)(H,141,142)(H,160,161)(H4,106,107,111)/t54-,55-,56-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-/m0/s1" . "OC(=O)CCc1c(C)ccc2c1CCC(C2)NS(=O)(=O)c1ccc(cc1)Cl" . "OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl" . "HWEOXFSBSQIWSY-MRXNPFEDSA-N" . "InChI=1S/C20H22ClNO4S/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24)/t16-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O" . "VPBCUXGDMVBSJJ-QSWXDPCQSA-N" . "InChI=1S/C97H151N31O29/c1-11-50(8)77(126-79(139)51(9)112-85(145)64(32-55-38-104-45-110-55)122-94(154)71-23-18-26-128(71)74(134)41-108-81(141)60(28-48(4)5)116-80(140)57(99)27-47(2)3)95(155)123-68(36-76(137)138)90(150)120-66(34-72(100)132)88(148)119-65(33-56-39-105-46-111-56)87(147)115-59(22-17-25-106-97(101)102)84(144)124-69(42-129)92(152)117-62(30-53-19-13-12-14-20-53)86(146)125-70(43-130)93(153)121-67(35-75(135)136)89(149)114-58(21-15-16-24-98)83(143)118-63(31-54-37-103-44-109-54)82(142)107-40-73(133)113-61(29-49(6)7)91(151)127-78(52(10)131)96(156)157/h12-14,19-20,37-39,44-52,57-71,77-78,129-131H,11,15-18,21-36,40-43,98-99H2,1-10H3,(H2,100,132)(H,103,109)(H,104,110)(H,105,111)(H,107,142)(H,108,141)(H,112,145)(H,113,133)(H,114,149)(H,115,147)(H,116,140)(H,117,152)(H,118,143)(H,119,148)(H,120,150)(H,121,153)(H,122,154)(H,123,155)(H,124,144)(H,125,146)(H,126,139)(H,127,151)(H,135,136)(H,137,138)(H,156,157)(H4,101,102,106)/t50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,77-,78-/m0/s1" . "CCCCCC(C=CC1CC2OC(C1CC=CCCCC(=O)O)C2(F)F)O" . "CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2(F)F)O" . "CIYZUODQUHAGKZ-SCVXEUJASA-N" . "InChI=1S/C21H32F2O4/c1-2-3-6-9-16(24)13-12-15-14-18-21(22,23)20(27-18)17(15)10-7-4-5-8-11-19(25)26/h4,7,12-13,15-18,20,24H,2-3,5-6,8-11,14H2,1H3,(H,25,26)/b7-4-,13-12+/t15-,16-,17+,18-,20+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O" . "OEYNEKWXIPNQHZ-VFYYSKAESA-N" . "InChI=1S/C128H197N39O40/c1-15-64(10)102(165-105(184)66(12)146-110(189)84(42-72-49-136-58-143-72)159-124(203)93-27-22-34-167(93)98(178)53-141-106(185)77(35-60(2)3)151-111(190)79(37-62(6)7)152-113(192)81(40-70-28-30-74(173)31-29-70)148-96(176)51-139-104(183)65(11)145-121(200)90(54-168)163-117(196)87(45-95(131)175)156-112(191)80(38-63(8)9)160-125(204)101(132)67(13)171)126(205)161-89(47-100(181)182)119(198)157-86(44-94(130)174)116(195)155-85(43-73-50-137-59-144-73)115(194)150-76(26-21-33-138-128(133)134)109(188)162-91(55-169)122(201)153-82(39-69-23-17-16-18-24-69)114(193)164-92(56-170)123(202)158-88(46-99(179)180)118(197)149-75(25-19-20-32-129)108(187)154-83(41-71-48-135-57-142-71)107(186)140-52-97(177)147-78(36-61(4)5)120(199)166-103(68(14)172)127(206)207/h16-18,23-24,28-31,48-50,57-68,75-93,101-103,168-173H,15,19-22,25-27,32-47,51-56,129,132H2,1-14H3,(H2,130,174)(H2,131,175)(H,135,142)(H,136,143)(H,137,144)(H,139,183)(H,140,186)(H,141,185)(H,145,200)(H,146,189)(H,147,177)(H,148,176)(H,149,197)(H,150,194)(H,151,190)(H,152,192)(H,153,201)(H,154,187)(H,155,195)(H,156,191)(H,157,198)(H,158,202)(H,159,203)(H,160,204)(H,161,205)(H,162,188)(H,163,196)(H,164,193)(H,165,184)(H,166,199)(H,179,180)(H,181,182)(H,206,207)(H4,133,134,138)/t64-,65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,103-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "LDEAEHIIHOWDLI-BQZNQBJUSA-N" . "InChI=1S/C133H199N39O39/c1-15-68(10)108(171-110(188)70(12)151-116(194)90(46-76-53-140-61-147-76)166-129(207)99-27-22-38-172(99)104(182)58-146-111(189)83(39-64(2)3)157-117(195)85(41-66(6)7)158-119(197)88(45-75-30-34-80(177)35-31-75)154-102(180)56-144-109(187)69(11)150-127(205)97(59-173)170-124(202)94(50-101(136)179)163-118(196)86(42-67(8)9)167-130(208)107(137)72(14)175)131(209)168-96(52-106(185)186)126(204)164-93(49-100(135)178)123(201)162-91(47-77-54-141-62-148-77)121(199)156-82(26-21-37-143-133(138)139)114(192)169-98(60-174)128(206)160-89(43-73-23-17-16-18-24-73)120(198)161-92(48-78-55-142-63-149-78)122(200)165-95(51-105(183)184)125(203)155-81(25-19-20-36-134)113(191)159-87(44-74-28-32-79(176)33-29-74)112(190)145-57-103(181)153-84(40-65(4)5)115(193)152-71(13)132(210)211/h16-18,23-24,28-35,53-55,61-72,81-99,107-108,173-177H,15,19-22,25-27,36-52,56-60,134,137H2,1-14H3,(H2,135,178)(H2,136,179)(H,140,147)(H,141,148)(H,142,149)(H,144,187)(H,145,190)(H,146,189)(H,150,205)(H,151,194)(H,152,193)(H,153,181)(H,154,180)(H,155,203)(H,156,199)(H,157,195)(H,158,197)(H,159,191)(H,160,206)(H,161,198)(H,162,201)(H,163,196)(H,164,204)(H,165,200)(H,166,207)(H,167,208)(H,168,209)(H,169,192)(H,170,202)(H,171,188)(H,183,184)(H,185,186)(H,210,211)(H4,138,139,143)/t68-,69-,70-,71-,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)C(O)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O" . "CBSXZYWGVAQSHI-RUKUCZSXSA-N" . "InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)Cc1nc[nH]c1)CC(=O)N)C(C)C)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C" . "UKPCKEWJIIKMHQ-WNXXINOUSA-N" . "InChI=1S/C89H130N26O25/c1-42(2)23-56(77(127)98-38-72(124)115-22-14-17-66(115)86(136)109-61(28-51-34-93-40-99-51)78(128)102-47(10)76(126)113-73(45(7)8)87(137)97-37-71(123)105-62(30-67(91)119)82(132)111-64(89(139)140)29-52-35-94-41-100-52)106-79(129)57(24-43(3)4)107-81(131)59(26-49-18-20-53(118)21-19-49)104-70(122)36-96-75(125)46(9)101-85(135)65(39-116)112-83(133)63(31-68(92)120)108-80(130)58(25-44(5)6)110-88(138)74(48(11)117)114-84(134)60(103-69(121)32-90)27-50-33-95-55-16-13-12-15-54(50)55/h12-13,15-16,18-21,33-35,40-48,56-66,73-74,95,116-118H,14,17,22-32,36-39,90H2,1-11H3,(H2,91,119)(H2,92,120)(H,93,99)(H,94,100)(H,96,125)(H,97,137)(H,98,127)(H,101,135)(H,102,128)(H,103,121)(H,104,122)(H,105,123)(H,106,129)(H,107,131)(H,108,130)(H,109,136)(H,110,138)(H,111,132)(H,112,133)(H,113,126)(H,114,134)(H,139,140)/t46-,47-,48+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-/m0/s1" . "CCOC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cccc2" . "CCOC(=O)c1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cccc2" . "PMUJUSJUVIXDQC-LCYFTJDESA-N" . "InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-" . "Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1" . "Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1" . "FALILNHGILFDLC-UHFFFAOYSA-N" . "InChI=1S/C17H17NO3/c19-16-12-14(18-8-10-21-11-9-18)6-7-15(16)17(20)13-4-2-1-3-5-13/h1-7,12,19H,8-11H2" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O" . "FHTSPMGFAZMZJT-GDGJPEIESA-N" . "InChI=1S/C78H116N20O21/c1-12-41(8)64(78(118)119)96-67(107)43(10)87-69(109)56(29-47-33-81-37-85-47)93-76(116)59-18-15-23-98(59)63(105)35-84-68(108)51(24-38(2)3)90-70(110)52(25-39(4)5)91-72(112)54(27-45-19-21-48(101)22-20-45)89-62(104)34-83-66(106)42(9)86-75(115)58(36-99)95-73(113)57(30-60(80)102)92-71(111)53(26-40(6)7)94-77(117)65(44(11)100)97-74(114)55(88-61(103)31-79)28-46-32-82-50-17-14-13-16-49(46)50/h13-14,16-17,19-22,32-33,37-44,51-59,64-65,82,99-101H,12,15,18,23-31,34-36,79H2,1-11H3,(H2,80,102)(H,81,85)(H,83,106)(H,84,108)(H,86,115)(H,87,109)(H,88,103)(H,89,104)(H,90,110)(H,91,112)(H,92,111)(H,93,116)(H,94,117)(H,95,113)(H,96,107)(H,97,114)(H,118,119)/t41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O" . "LOXLDVDBPRBBLT-GDRYISODSA-N" . "InChI=1S/C72H105N19O20/c1-35(2)21-47(62(100)78-32-59(98)91-20-12-15-55(91)70(108)87-52(26-43-30-75-34-79-43)63(101)81-39(8)72(110)111)84-64(102)48(22-36(3)4)85-66(104)50(24-41-16-18-44(94)19-17-41)83-58(97)31-77-61(99)38(7)80-69(107)54(33-92)89-67(105)53(27-56(74)95)86-65(103)49(23-37(5)6)88-71(109)60(40(9)93)90-68(106)51(82-57(96)28-73)25-42-29-76-46-14-11-10-13-45(42)46/h10-11,13-14,16-19,29-30,34-40,47-55,60,76,92-94H,12,15,20-28,31-33,73H2,1-9H3,(H2,74,95)(H,75,79)(H,77,99)(H,78,100)(H,80,107)(H,81,101)(H,82,96)(H,83,97)(H,84,102)(H,85,104)(H,86,103)(H,87,108)(H,88,109)(H,89,105)(H,90,106)(H,110,111)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O" . "WVBIAJKQIUYYOO-HOBSFDBDSA-N" . "InChI=1S/C56H83N13O16/c1-27(2)17-37(50(78)67-42(56(84)85)19-29(5)6)64-51(79)39(20-32-13-15-34(72)16-14-32)63-46(75)25-60-48(76)30(7)61-54(82)43(26-70)68-52(80)41(22-44(58)73)65-49(77)38(18-28(3)4)66-55(83)47(31(8)71)69-53(81)40(62-45(74)23-57)21-33-24-59-36-12-10-9-11-35(33)36/h9-16,24,27-31,37-43,47,59,70-72H,17-23,25-26,57H2,1-8H3,(H2,58,73)(H,60,76)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,77)(H,66,83)(H,67,78)(H,68,80)(H,69,81)(H,84,85)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(N)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "AMJDZAOLXJXHIM-DGFPZSQGSA-N" . "InChI=1S/C116H170N34O32/c1-12-61(8)95(149-97(163)63(10)132-103(169)81(42-68-48-122-55-129-68)146-113(179)88-24-19-35-150(88)92(157)53-128-98(164)75(36-58(2)3)138-104(170)77(38-60(6)7)139-105(171)79(41-67-27-31-72(153)32-28-67)135-90(155)51-126-96(162)62(9)118)114(180)147-86(47-94(160)161)111(177)144-84(45-89(119)154)109(175)143-82(43-69-49-123-56-130-69)107(173)137-74(23-18-34-125-116(120)121)101(167)148-87(54-151)112(178)141-80(39-65-20-14-13-15-21-65)106(172)142-83(44-70-50-124-57-131-70)108(174)145-85(46-93(158)159)110(176)136-73(22-16-17-33-117)100(166)140-78(40-66-25-29-71(152)30-26-66)99(165)127-52-91(156)134-76(37-59(4)5)102(168)133-64(11)115(181)182/h13-15,20-21,25-32,48-50,55-64,73-88,95,151-153H,12,16-19,22-24,33-47,51-54,117-118H2,1-11H3,(H2,119,154)(H,122,129)(H,123,130)(H,124,131)(H,126,162)(H,127,165)(H,128,164)(H,132,169)(H,133,168)(H,134,156)(H,135,155)(H,136,176)(H,137,173)(H,138,170)(H,139,171)(H,140,166)(H,141,178)(H,142,172)(H,143,175)(H,144,177)(H,145,174)(H,146,179)(H,147,180)(H,148,167)(H,149,163)(H,158,159)(H,160,161)(H,181,182)(H4,120,121,125)/t61-,62-,63-,64-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-/m0/s1" . "COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C" . "COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C" . "DHCNAWNKZMNTIS-UHFFFAOYSA-N" . "InChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3" . "CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC" . "CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC" . "NMHKTASGTFXJPL-UHFFFAOYSA-N" . "InChI=1S/C28H53N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-28(31)35-24-27(34-2)25-37-38(32,33)36-22-20-30-21-23-39-26-30/h21,23,26-27H,3-20,22,24-25H2,1-2H3,(H-,29,31,32,33)" . "CCCCCCC(C(=O)O)O" . "CCCCCCC(C(=O)O)O" . "JKRDADVRIYVCCY-UHFFFAOYSA-N" . "InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)CCC(=O)O)CCCCN)CCC(=O)O)C(O)C)CCCCN)CC(=O)N)CC(=O)N)CC(=O)O)C(CC)C)CC(C)C)NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CCC(=O)O)Cc1ccccc1)CC(C)C)CCCCN)CCC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O" . "KSDDQEGWVBODMD-OULINLAESA-N" . "InChI=1S/C116H196N28O37S/c1-17-61(13)91(112(176)137-80(54-88(157)158)107(171)136-79(53-83(123)148)106(170)135-78(52-82(122)147)105(169)126-70(35-25-29-47-120)101(165)143-93(63(15)145)114(178)131-72(37-41-85(151)152)99(163)125-67(32-22-26-44-117)96(160)128-74(39-43-87(155)156)103(167)141-92(62(14)18-2)113(177)138-81(116(180)181)50-58(7)8)142-109(173)76(49-57(5)6)132-98(162)69(34-24-28-46-119)130-115(179)94(64(16)146)144-111(175)90(60(11)12)139-102(166)73(38-42-86(153)154)127-97(161)68(33-23-27-45-118)129-110(174)89(59(9)10)140-108(172)75(48-56(3)4)133-104(168)77(51-65-30-20-19-21-31-65)134-100(164)71(36-40-84(149)150)124-95(159)66(121)55-182/h19-21,30-31,56-64,66-81,89-94,145-146,182H,17-18,22-29,32-55,117-121H2,1-16H3,(H2,122,147)(H2,123,148)(H,124,159)(H,125,163)(H,126,169)(H,127,161)(H,128,160)(H,129,174)(H,130,179)(H,131,178)(H,132,162)(H,133,168)(H,134,164)(H,135,170)(H,136,171)(H,137,176)(H,138,177)(H,139,166)(H,140,172)(H,141,167)(H,142,173)(H,143,165)(H,144,175)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,180,181)/t61-,62-,63+,64+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-/m0/s1" . "CC(CN(C(=O)C1OCCN(C1)Cc1ccccc1)Cc1ccc2c(c1)OCCCO2)C" . "CC(CN(C(=O)C1OCCN(C1)Cc1ccccc1)Cc1ccc2c(c1)OCCCO2)C" . "KQQGCZSZDMHKOX-UHFFFAOYSA-N" . "InChI=1S/C26H34N2O4/c1-20(2)16-28(18-22-9-10-23-24(15-22)31-13-6-12-30-23)26(29)25-19-27(11-14-32-25)17-21-7-4-3-5-8-21/h3-5,7-10,15,20,25H,6,11-14,16-19H2,1-2H3" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O" . "QVMYBFKDLPBYSO-GIGALADGSA-N" . "InChI=1S/C40H62N12O9/c1-6-22(4)32(37(58)49-29(18-25-19-44-20-46-25)38(59)52-16-8-10-30(52)39(60)61)51-35(56)28(17-24-11-13-26(53)14-12-24)48-36(57)31(21(2)3)50-34(55)27(47-33(54)23(5)41)9-7-15-45-40(42)43/h11-14,19-23,27-32,53H,6-10,15-18,41H2,1-5H3,(H,44,46)(H,47,54)(H,48,57)(H,49,58)(H,50,55)(H,51,56)(H,60,61)(H4,42,43,45)/t22-,23-,27-,28-,29-,30-,31-,32-/m0/s1" . "CCc1ccc(cc1)Cn1c(=O)nc(n(c1=O)Cc1ccc(cc1)OC)NCCN=C(N)N" . "CCc1ccc(cc1)Cn1c(=O)nc(n(c1=O)Cc1ccc(cc1)OC)NCCN=C(N)N" . "FIIIITZGLKCLHY-UHFFFAOYSA-N" . "InChI=1S/C23H29N7O3/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)" . "Clc1ccc(cc1)C(c1ccccc1)(OCCC1CCCN1C)C" . "Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C" . "YNNUSGIPVFPVBX-NHCUHLMSSA-N" . "InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1" . "OCCNS(=O)(=O)c1cc(ccc1Cl)c1sc(nc1C)NC(=O)C" . "OCCNS(=O)(=O)c1cc(ccc1Cl)c1sc(nc1C)NC(=O)C" . "JFVNFXCESCXMBC-UHFFFAOYSA-N" . "InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)" . "CC=CCCCCC=CCCCCC(=O)OC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(C(C(CC=Cc1ccccc1)C)O)C" . "C/C=C/CCCC/C=C/CCCCC(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(C(C(C/C=C/c1ccccc1)C)O)C" . "VFZAKIFLDMCTJV-NZHUAJKLSA-N" . "InChI=1S/C39H54O13/c1-4-5-6-7-8-9-10-11-12-13-17-23-29(40)50-32-31(42)37(51-33(34(43)44)38(49,35(45)46)39(32,52-37)36(47)48)25-24-27(3)30(41)26(2)19-18-22-28-20-15-14-16-21-28/h4-5,10-11,14-16,18,20-22,26-27,30-33,41-42,49H,6-9,12-13,17,19,23-25H2,1-3H3,(H,43,44)(H,45,46)(H,47,48)/b5-4+,11-10+,22-18+/t26?,27?,30?,31-,32-,33-,37+,38-,39+/m1/s1" . "COCC1OC(=O)c2c3C1(C)C1=C(C(=O)c3oc2)C2C(CC1OC(=O)C)(C)C(=O)CC2" . "COC[C@H]1OC(=O)c2c3[C@@]1(C)C1=C(C(=O)c3oc2)[C@H]2[C@@](C[C@H]1OC(=O)C)(C)C(=O)CC2" . "QDLHCMPXEPAAMD-QAIWCSMKSA-N" . "InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1" . "Fc1ccc(c(c1)F)c1nc(ccc1C(=O)N)N(c1c(F)cccc1F)C(=O)N" . "Fc1ccc(c(c1)F)c1nc(ccc1C(=O)N)N(c1c(F)cccc1F)C(=O)N" . "FYSRKRZDBHOFAY-UHFFFAOYSA-N" . "InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(c(c1)Cl)NC(=O)Nc1noc(c1)C" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(c(c1)Cl)NC(=O)Nc1noc(c1)C" . "SPMVMDHWKHCIDT-UHFFFAOYSA-N" . "InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)" . "O=c1c2ccccc2c2c3c1cccc3n(n2)C" . "O=c1c2ccccc2c2c3c1cccc3n(n2)C" . "ODZGYELAMAOARP-UHFFFAOYSA-N" . "InChI=1S/C15H10N2O/c1-17-12-8-4-7-11-13(12)14(16-17)9-5-2-3-6-10(9)15(11)18/h2-8H,1H3" . "CCCNC(=O)Nc1ccc(cc1Cl)Oc1ncnc2c1cc(OC)c(c2)OC" . "CCCNC(=O)Nc1ccc(cc1Cl)Oc1ncnc2c1cc(OC)c(c2)OC" . "VPBYZLCHOKSGRX-UHFFFAOYSA-N" . "InChI=1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)" . "Clc1ccc(cc1)NC(=O)c1ccccc1NCc1ccncc1" . "Clc1ccc(cc1)NC(=O)c1ccccc1NCc1ccncc1" . "GGPZCOONYBPZEW-UHFFFAOYSA-N" . "InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)" . "CC(=O)c1ccc(cc1O)N1CCOCC1" . "CC(=O)c1ccc(cc1O)N1CCOCC1" . "YHKSBKQXCWHTQL-UHFFFAOYSA-N" . "InChI=1S/C12H15NO3/c1-9(14)11-3-2-10(8-12(11)15)13-4-6-16-7-5-13/h2-3,8,15H,4-7H2,1H3" . "N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(nc2)NCc1cccnc1" . "N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(nc2)NCc1cccnc1" . "NMEUKWOOQOHUNA-UHFFFAOYSA-N" . "InChI=1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)" . "c1ccc(nc1)c1[nH]ncc1c1ccnc2c1cccc2" . "c1ccc(nc1)c1[nH]ncc1c1ccnc2c1cccc2" . "IBCXZJCWDGCXQT-UHFFFAOYSA-N" . "InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)" . "Cc1cccc(n1)c1[nH]c(nc1c1ccc2c(c1)OCO2)C(C)(C)C" . "Cc1cccc(n1)c1[nH]c(nc1c1ccc2c(c1)OCO2)C(C)(C)C" . "WGZOTBUYUFBEPZ-UHFFFAOYSA-N" . "InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)" . "[O-][N+](=O)C=Cc1ccc2c(c1)OCO2" . "[O-][N+](=O)/C=C/c1ccc2c(c1)OCO2" . "KFLWBZPSJQPRDD-ONEGZZNKSA-N" . "InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+" . "NCCNc1ncc(c(n1)Nc1cccc(c1)C(F)(F)F)C(=O)N" . "NCCNc1ncc(c(n1)Nc1cccc(c1)C(F)(F)F)C(=O)N" . "FQNFLNSVHWCZML-UHFFFAOYSA-N" . "InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)" . "O=C1Nc2c(C1=Cc1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N" . "O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N" . "MLKHXLFEYOOYEY-NVNXTCNLSA-N" . "InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-" . "COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2" . "COc1ccc2c(c1)/C(=C/c1cnc[nH]1)/C(=O)N2" . "QNUKRWAIZMBVCU-WCIBSUBMSA-N" . "InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-" . "O=C1Nc2c(C1=Cc1cc3c([nH]1)CCCC3)cc(cc2)S(=O)(=O)N(C)C" . "O=C1Nc2c(/C/1=C/c1cc3c([nH]1)CCCC3)cc(cc2)S(=O)(=O)N(C)C" . "LOGJQOUIVKBFGH-YBEGLDIGSA-N" . "InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(Cl)cc2)CC" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cc(Cl)cc2)CC" . "XPLJEFSRINKZLC-ATVHPVEESA-N" . "InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)Oc1ccccc1" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)Oc1ccccc1" . "DMWVGXGXHPOEPT-UHFFFAOYSA-N" . "InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)" . "Oc1ccc(cc1)Nc1scc(n1)c1ccc(cc1)Cl" . "Oc1ccc(cc1)Nc1scc(n1)c1ccc(cc1)Cl" . "ZFGXZJKLOFCECI-UHFFFAOYSA-N" . "InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)" . "Fc1ccc(cc1)c1nc2n(c1c1ccncc1)CCS2" . "Fc1ccc(cc1)c1nc2n(c1c1ccncc1)CCS2" . "YOELZIQOLWZLQC-UHFFFAOYSA-N" . "InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2" . "Cc1oc(c(n1)c1ccccc1)c1ccncc1" . "Cc1oc(c(n1)c1ccccc1)c1ccncc1" . "BHWCZLOXTLWZAQ-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O/c1-11-17-14(12-5-3-2-4-6-12)15(18-11)13-7-9-16-10-8-13/h2-10H,1H3" . "Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCNCC1" . "Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCNCC1" . "VSPFURGQAYMVAN-UHFFFAOYSA-N" . "InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)" . "O=c1[nH]c(=O)c2c1c1c3c4c2c2ccccc2n4C2OC(n3c3c1cccc3)CC2" . "O=c1[nH]c(=O)c2c1c1c3c4c2c2ccccc2n4C2OC(n3c3c1cccc3)CC2" . "OTPNDVKVEAIXTI-UHFFFAOYSA-N" . "InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)" . "CCc1[nH]c(nc1c1ccncc1)c1ccc(cc1)OC" . "CCc1[nH]c(nc1c1ccncc1)c1ccc(cc1)OC" . "MYKGURNPAUBQLJ-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c1-3-15-16(12-8-10-18-11-9-12)20-17(19-15)13-4-6-14(21-2)7-5-13/h4-11H,3H2,1-2H3,(H,19,20)" . "CCC(Nc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C)CO" . "CC[C@@H](Nc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C)CO" . "BTIHMVBBUGXLCJ-OAHLLOKOSA-N" . "InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1" . "CN(CC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(c3c1cccc3)C)c1c2cccc1)C" . "CN(C[C@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(c3c1cccc3)C)c1c2cccc1)C" . "FXGHOAZJQNLNFD-KRWDZBQOSA-N" . "InChI=1S/C28H28N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3,(H,29,33,34)/t17-/m0/s1" . "NCC(=O)N1CCCN(C(C1)C)S(=O)(=O)c1cccc2c1c(C)cnc2" . "NCC(=O)N1CCCN([C@H](C1)C)S(=O)(=O)c1cccc2c1c(C)cnc2" . "CMKMGFAUKPAOMG-AWEZNQCLSA-N" . "InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1" . "n1ccc(cc1)c1c[nH]c2c1cccc2" . "n1ccc(cc1)c1c[nH]c2c1cccc2" . "LLJRXVHJOJRCSM-UHFFFAOYSA-N" . "InChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H" . "COC1CC(CCC1O)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "QFJCIRLUMZQUOT-HPLJOQBZSA-N" . "InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1" . "OCC(C(C)C)Nc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "OCC(C(C)C)Nc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "PMXCMJLOPOFPBT-UHFFFAOYSA-N" . "InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)" . "Nc1ncnc2c1cnn2c1ccccc1" . "Nc1ncnc2c1cnn2c1ccccc1" . "KKDPIZPUTYIBFX-UHFFFAOYSA-N" . "InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)" . "Nc1ncnc2c1c(Cc1cccc3c1cccc3)nn2C(C)(C)C" . "Nc1ncnc2c1c(Cc1cccc3c1cccc3)nn2C(C)(C)C" . "GDQXJQSQYMMKRA-UHFFFAOYSA-N" . "InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)" . "Clc1ccc2c(c1)C(=Cc1cc(Cl)c(c(c1)Cl)O)C(=O)N2" . "Clc1ccc2c(c1)/C(=C/c1cc(Cl)c(c(c1)Cl)O)/C(=O)N2" . "ZJFMARHFPUZEKI-KMKOMSMNSA-N" . "InChI=1S/C15H8Cl3NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3-" . "O=C1Nc2c(C1=Cc1cnc[nH]1)c1scnc1cc2" . "O=C1Nc2c(/C/1=C/c1cnc[nH]1)c1scnc1cc2" . "VFBGXTUGODTSPK-BAQGIRSFSA-N" . "InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-" . "O=C1NC(=O)C(=C1c1cn(c2c1cccc2)CCCn1cncc1)Nc1ccccc1" . "O=C1NC(=O)C(=C1c1cn(c2c1cccc2)CCCn1cncc1)Nc1ccccc1" . "KIWODJBCHRADND-UHFFFAOYSA-N" . "InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)" . "O=C1NC(=O)C(=Cc2ccc3c(c2)OC(O3)(F)F)S1" . "O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(O3)(F)F)/S1" . "SRLVNYDXMUGOFI-YWEYNIOJSA-N" . "InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-" . "O=C1NC(=O)C(=Cc2ccc3c(c2)nccn3)S1" . "O=C1NC(=O)/C(=C/c2ccc3c(c2)nccn3)/S1" . "SQWZFLMPDUSYGV-POHAHGRESA-N" . "InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-" . "O=C1c2nn3nnnc3nc2c2c1cccc2" . "O=C1c2nn3nnnc3nc2c2c1cccc2" . "DPANHMGWPXVBQI-UHFFFAOYSA-N" . "InChI=1S/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)13-16-10(11-7)12-14-15-16/h1-4H" . "COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=S)NC(=O)c1ccccc1C" . "COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=S)NC(=O)c1ccccc1C" . "ZXGIBSBJQLLUEE-UHFFFAOYSA-N" . "InChI=1S/C26H23N3O4S/c1-16-6-4-5-7-19(16)25(30)29-26(34)28-17-8-10-18(11-9-17)33-22-12-13-27-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,28,29,30,34)" . "COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F" . "COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F" . "ZDNURMVOKAERHZ-UHFFFAOYSA-N" . "InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)" . "COc1cc2c(cc1OC)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1" . "COc1cc2c(cc1OC)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1" . "INTPTKHSGKBHHW-UHFFFAOYSA-N" . "InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)" . "CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2" . "CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2" . "CZDUJGOCEPWCNA-UHFFFAOYSA-N" . "InChI=1S/C21H18N2O3/c1-2-5-20(24)26-15-8-9-17-14(10-15)12-19(23-17)21(25)18-11-13-6-3-4-7-16(13)22-18/h3-4,6-12,22-23H,2,5H2,1H3" . "CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br" . "CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br" . "WUPUZEMRHDROEO-UHFFFAOYSA-N" . "InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)" . "Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)[N+](=O)[O-]" . "Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)[N+](=O)[O-]" . "BGIYKDUASORTBB-UHFFFAOYSA-N" . "InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)" . "CNc1ncc2c(c1)c(ncn2)Nc1cccc(c1)Br" . "CNc1ncc2c(c1)c(ncn2)Nc1cccc(c1)Br" . "KFHMLBXBRCITHF-UHFFFAOYSA-N" . "InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)" . "CSc1nc(c([nH]1)c1ccc(cc1)F)c1ccnc(c1)NC(c1ccccc1)C" . "CSc1nc(c([nH]1)c1ccc(cc1)F)c1ccnc(c1)NC(c1ccccc1)C" . "VXPWQNBKEIVYIS-UHFFFAOYSA-N" . "InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)" . "Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1" . "Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1" . "DZFBYHUKZSRPHU-UHFFFAOYSA-N" . "InChI=1S/C20H13ClFN3O/c21-15-3-7-17(8-4-15)25-20(26)18(13-1-5-16(22)6-2-13)19(24-25)14-9-11-23-12-10-14/h1-12,24H" . "Nc1ccc2c(c1)c(NCCc1ccc(cc1)Oc1ccccc1)ncn2" . "Nc1ccc2c(c1)c(NCCc1ccc(cc1)Oc1ccccc1)ncn2" . "IBAKVEUZKHOWNG-UHFFFAOYSA-N" . "InChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)" . "FC(c1ccc(cc1)C=Cc1occ(n1)COc1ccc(cc1)CCCCn1nncc1)(F)F" . "FC(c1ccc(cc1)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1)(F)F" . "ZTFBIUXIQYRUNT-MDWZMJQESA-N" . "InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+" . "Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2" . "Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2" . "UQPMANVRZYYQMD-UHFFFAOYSA-N" . "InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)" . "O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F" . "O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F" . "ODYAQBDIXCVKAE-UHFFFAOYSA-N" . "InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)" . "N#CC(=C(Sc1ccc(cc1)N)N)c1ccccc1C(F)(F)F" . "N#C/C(=C(/Sc1ccc(cc1)N)/N)/c1ccccc1C(F)(F)F" . "JLOXTZFYJNCPIS-FYWRMAATSA-N" . "InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+" . "O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2" . "O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2" . "GYQSWJNGTWVFOL-UHFFFAOYSA-N" . "InChI=1S/C14H8ClNO4/c15-11-12(16-9(17)5-6-10(16)18)14(20)8-4-2-1-3-7(8)13(11)19/h1-4H,5-6H2" . "N#CC(=C(Sc1ccccc1N)N)c1cccc(c1)C(c1ccncc1)O" . "N#C/C(=C(/Sc1ccccc1N)/N)/c1cccc(c1)C(c1ccncc1)O" . "NHBMKTBZZSJUGA-HEHNFIMWSA-N" . "InChI=1S/C21H18N4OS/c22-13-17(21(24)27-19-7-2-1-6-18(19)23)15-4-3-5-16(12-15)20(26)14-8-10-25-11-9-14/h1-12,20,26H,23-24H2/b21-17+" . "O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1" . "O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1" . "NGAGMBNBKCDCDJ-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2" . "O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1" . "O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1" . "CZQHHVNHHHRRDU-UHFFFAOYSA-N" . "InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2" . "Nc1ncnc2c1c(cn2C1CCCC1)c1ccc(cc1)Oc1ccccc1" . "Nc1ncnc2c1c(cn2C1CCCC1)c1ccc(cc1)Oc1ccccc1" . "FMETVQKSDIOGPX-UHFFFAOYSA-N" . "InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)" . "OCCN(S(=O)(=O)c1ccc(cc1)OC)c1ccccc1CN(CC=Cc1ccc(cc1)Cl)C" . "OCCN(S(=O)(=O)c1ccc(cc1)OC)c1ccccc1CN(C/C=C/c1ccc(cc1)Cl)C" . "LLLQTDSSHZREGW-AATRIKPKSA-N" . "InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+" . "O=C(C(N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1" . "O=C(C(N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1" . "BLLBARDQJSOSJD-UHFFFAOYSA-N" . "InChI=1S/C38H35N5O6S2/c1-41(51(45,46)37-12-6-8-30-27-40-20-18-34(30)37)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)47-49-50-48-36-11-5-7-29-26-39-19-17-33(29)36/h2-20,26-27,35H,21-25H2,1H3" . "CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(c1C#N)N" . "CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(c1C#N)N" . "KQMPRSZTUSSXND-UHFFFAOYSA-N" . "InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)" . "N#CC(=c1sc2c([nH]1)cccc2)c1ccnc(n1)NCCc1cccnc1" . "N#C/C(=c/1/sc2c([nH]1)cccc2)/c1ccnc(n1)NCCc1cccnc1" . "AVLYNJZZQYEFEA-XDJHFCHBSA-N" . "InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,25H,7,10H2,(H,23,24,26)/b19-15+" . "N#Cc1c(sc2c1CCCC2)NC(=O)c1cccc2c1cccc2" . "N#Cc1c(sc2c1CCCC2)NC(=O)c1cccc2c1cccc2" . "WQGDQGAFSDMBLA-UHFFFAOYSA-N" . "InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)" . "O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1" . "O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1" . "IQNTXIMXKCURDC-YBEGLDIGSA-N" . "InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-" . "CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C" . "CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C" . "JSASWRWALCMOQP-UHFFFAOYSA-N" . "InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Br)O" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Br)O" . "CBIAKDAYHRWZCU-UHFFFAOYSA-N" . "InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)" . "Fc1ccc2c(c1)c1c(=O)[nH]ccc1c1c2[nH]c(n1)C(C)(C)C" . "Fc1ccc2c(c1)c1c(=O)[nH]ccc1c1c2[nH]c(n1)C(C)(C)C" . "VNDWQCSOSCCWIP-UHFFFAOYSA-N" . "InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)" . "O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1" . "O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1" . "WXUJAQBSBZLVEV-UHFFFAOYSA-N" . "InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)" . "O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2" . "O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2" . "QTCFYQHZJIIHBS-UHFFFAOYSA-N" . "InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)" . "ONc1c([nH]c2c1cccc2)C1=c2ccccc2=NC1=O" . "ONc1c([nH]c2c1cccc2)C1=c2ccccc2=NC1=O" . "LDEWQRSYYHTQRA-UHFFFAOYSA-N" . "InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,19,21H" . "OCC(CCONc1c2ccccc2[nH]c1C1=c2ccccc2=NC1=O)O" . "OCC(CCONc1c2ccccc2[nH]c1C1=c2ccccc2=NC1=O)O" . "CKLAPOFDFZKCPB-UHFFFAOYSA-N" . "InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,23-25H,9-11H2" . "NC(=O)Nc1sc(cc1C(=O)N)c1ccc(cc1)F" . "NC(=O)Nc1sc(cc1C(=O)N)c1ccc(cc1)F" . "SAYGKHKXGCPTLX-UHFFFAOYSA-N" . "InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)" . "COc1cc(OC)cc(c1C=C1C(=O)Nc2c1cccc2)OC" . "COc1cc(OC)cc(c1C=C1C(=O)Nc2c1cccc2)OC" . "JBJYTZXCZDNOJW-UHFFFAOYSA-N" . "InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)" . "COC1C(C)C=C(C)C(OC(=O)N)C(OC)C=CC=C(C(=O)NC2=CC(=O)C=C(C(C(CC1OC)C)OC)C2=O)C" . "COC1[C@@H](C)/C=C(/C)/[C@H](OC(=O)N)C(OC)/C=C/C=C(/C(=O)NC2=CC(=O)C=C([C@@H]([C@H](C[C@@H]1OC)C)OC)C2=O)/C" . "MCAHMSDENAOJFZ-NDSMKMDISA-N" . "InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23?,24-,26+,27?,28-/m0/s1" . "Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c1cccc2c1ccnc2" . "Brc1ccc(cc1)/C=C/CNCCNS(=O)(=O)c1cccc2c1ccnc2" . "ZKZXNDJNWUTGDK-NSCUHMNNSA-N" . "InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+" . "c1ccc(cc1)c1n[nH]c2c1oc1c2cccc1" . "c1ccc(cc1)c1n[nH]c2c1oc1c2cccc1" . "DZQLVVLATXPWBK-UHFFFAOYSA-N" . "InChI=1S/C15H10N2O/c1-2-6-10(7-3-1)13-15-14(17-16-13)11-8-4-5-9-12(11)18-15/h1-9H,(H,16,17)" . "OCCCn1cc(c2c1nccc2)C1=C(C(=O)NC1=O)c1cnccn1" . "OCCCn1cc(c2c1nccc2)C1=C(C(=O)NC1=O)c1cnccn1" . "ZDEJZKULWCZIHL-UHFFFAOYSA-N" . "InChI=1S/C18H15N5O3/c24-8-2-7-23-10-12(11-3-1-4-21-16(11)23)14-15(18(26)22-17(14)25)13-9-19-5-6-20-13/h1,3-6,9-10,24H,2,7-8H2,(H,22,25,26)" . "Oc1cccc(c1)Oc1ncnc2c1cc([nH]2)c1cccc(c1)N" . "Oc1cccc(c1)Oc1ncnc2c1cc([nH]2)c1cccc(c1)N" . "VPVLEBIVXZSOMQ-UHFFFAOYSA-N" . "InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)" . "COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]" . "COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]" . "YAEMHJKFIIIULI-UHFFFAOYSA-N" . "InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)" . "Ic1cccc(c1)CSc1nnc(o1)c1ccncc1" . "Ic1cccc(c1)CSc1nnc(o1)c1ccncc1" . "ZRHRPGSSSVYBRG-UHFFFAOYSA-N" . "InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2" . "O=c1sn(c(=O)n1Cc1ccccc1)C" . "O=c1sn(c(=O)n1Cc1ccccc1)C" . "JDSJDASOXWCHPN-UHFFFAOYSA-N" . "InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3" . "Cc1[nH]nc(c1)Nc1nc(nc2c1cccc2)c1ccccc1" . "Cc1[nH]nc(c1)Nc1nc(nc2c1cccc2)c1ccccc1" . "JYCUVOXSZBECAY-UHFFFAOYSA-N" . "InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)" . "CC(=O)ONC1=c2ccccc2=NC1=C1C(=O)Nc2c1ccc(c2)Br" . "CC(=O)ONC1=c2ccccc2=N/C/1=C/1/C(=O)Nc2c1ccc(c2)Br" . "ORWSYHWTBSHFIV-ICFOKQHNSA-N" . "InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,22H,1H3,(H,21,24)/b17-15-" . "ONC1=c2ccccc2=NC1=C1C(=O)Nc2c1ccc(c2)Br" . "ONC1=c2ccccc2=N/C/1=C/1/C(=O)Nc2c1ccc(c2)Br" . "WNWSUJQVZJJGLF-SQFISAMPSA-N" . "InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,20,22H,(H,19,21)/b15-13-" . "N#CCCn1c2ccccc2c2c1c1c(c3c2CNC3=O)c2c(n1C)cccc2" . "N#CCCn1c2ccccc2c2c1c1c(c3c2CNC3=O)c2c(n1C)cccc2" . "VWVYILCFSYNJHF-UHFFFAOYSA-N" . "InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)" . "c1ccc(cc1)c1cnc(s1)Nc1ccc(cc1)OCCN1CCCC1" . "c1ccc(cc1)c1cnc(s1)Nc1ccc(cc1)OCCN1CCCC1" . "FNZTULJDGIXMJJ-UHFFFAOYSA-N" . "InChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)20-16-22-21(26-20)23-18-8-10-19(11-9-18)25-15-14-24-12-4-5-13-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23)" . "Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O" . "Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O" . "NIMIWWQLOGNYHD-UHFFFAOYSA-N" . "InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H" . "COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2" . "COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2" . "FSPQCTGGIANIJZ-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)" . "O=C1c2c3[nH]c4c(c3cc[n+]2c2c1cccc2)cccc4" . "O=C1c2c3[nH]c4c(c3cc[n+]2c2c1cccc2)cccc4" . "WYQIPCUPNMRAKP-UHFFFAOYSA-O" . "InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1" . "[O-][N+](=O)NC(=NN=Cc1ccc(o1)c1cccc(c1)[N+](=O)[O-])N" . "[O-][N+](=O)N/C(=N/N=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/N" . "RODAAYVFYDKHGT-AUWJEWJLSA-N" . "InChI=1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-10-4-5-11(23-10)8-2-1-3-9(6-8)17(19)20/h1-7H,(H3,13,15,16)/b14-7-" . "O=c1[nH][nH]c2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1" . "O=c1[nH][nH]c2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1" . "QMBDONCHHMIWFJ-UHFFFAOYSA-N" . "InChI=1S/C18H12N6O/c25-18-12-10-13(19-20-17(12)21-22-18)15-14-8-4-5-9-24(14)23-16(15)11-6-2-1-3-7-11/h1-10H,(H2,20,21,22,25)" . "OC(=O)c1ccc(cc1)C(C(=O)O)(N)C" . "OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C" . "DNCAZYRLRMTVSF-JTQLQIEISA-N" . "InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1" . "Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1" . "Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1" . "XVECMUKVOMUNLE-UHFFFAOYSA-N" . "InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)" . "CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)F" . "CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)F" . "DLPSDPPZXRJQOY-UHFFFAOYSA-N" . "InChI=1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H3,(H,20,24,25)(H,21,22,23)" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)OCc1ccccc1" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)OCc1ccccc1" . "DNOKYISWMVFYFA-UHFFFAOYSA-N" . "InChI=1S/C23H21N3O3/c1-27-21-12-19-20(13-22(21)28-2)24-15-25-23(19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26)" . "O=C(C1CC1)Nc1cccc(c1)Nc1ncnc(c1)Nc1cccc(c1)C(F)(F)F" . "O=C(C1CC1)Nc1cccc(c1)Nc1ncnc(c1)Nc1cccc(c1)C(F)(F)F" . "YOHYSYJDKVYCJI-UHFFFAOYSA-N" . "InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)" . "CN1CCN(CC1)c1ccc2c(c1)[nH]c(=C1C(=O)N=c3c(=C1N)c(F)ccc3)[nH]2" . "CN1CCN(CC1)c1ccc2c(c1)[nH]/c(=C/1/C(=O)N=c3c(=C1N)c(F)ccc3)/[nH]2" . "KCOYQXZDFIIGCY-ZZEZOPTASA-N" . "InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3/b20-18-" . "O=C1Nc2c(C1=Cc1ccc(cc1)N(C)C)cccc2" . "O=C1Nc2c(/C/1=C/c1ccc(cc1)N(C)C)cccc2" . "UAKWLVYMKBWHMX-RVDMUPIBSA-N" . "InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11+" . "Fc1ccc(cc1)C(=C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2)c1ccc(cc1)F" . "Fc1ccc(cc1)C(=C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2)c1ccc(cc1)F" . "ZCNBZFRECRPCKU-UHFFFAOYSA-N" . "InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)" . "CCOc1cc2c(ncnc2cc1OCC)Nc1cccc(c1)Br" . "CCOc1cc2c(ncnc2cc1OCC)Nc1cccc(c1)Br" . "YXOXHAUUTIOBDA-UHFFFAOYSA-N" . "InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)" . "OCCNc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "OCCNc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "XZEFMZCNXDQXOZ-UHFFFAOYSA-N" . "InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)" . "Clc1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)N" . "Clc1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)N" . "UXGJAOIJSROTTN-UHFFFAOYSA-N" . "InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)" . "COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2" . "COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2" . "LLEJIEBFSOEYIV-UHFFFAOYSA-N" . "InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1" . "Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C" . "Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C" . "HFPLHASLIOXVGS-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O2S/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-7,17H,1-2H3" . "COc1ccc(c2c1[nH]c1ccccc1c2=S)OC" . "COc1ccc(c2c1[nH]c1ccccc1c2=S)OC" . "KFAKESMKRPNZTM-UHFFFAOYSA-N" . "InChI=1S/C15H13NO2S/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16-14/h3-8H,1-2H3,(H,16,19)" . "Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1" . "Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1" . "NMFKDDRQSNVETB-UHFFFAOYSA-N" . "InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)" . "CCN(C(=O)c1ccc(cc1)Nc1nc(OCC2CCCCC2)c2c(n1)nc[nH]2)CC" . "CCN(C(=O)c1ccc(cc1)Nc1nc(OCC2CCCCC2)c2c(n1)nc[nH]2)CC" . "XHEQSRJCJTWWAH-UHFFFAOYSA-N" . "InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)" . "OCCN(c1nc(NCc2ccc(cc2)OC)c2c(n1)n(cn2)C(C)C)CCO" . "OCCN(c1nc(NCc2ccc(cc2)OC)c2c(n1)n(cn2)C(C)C)CCO" . "NQVIIUBWMBHLOZ-UHFFFAOYSA-N" . "InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)" . "Nc1[nH]nc2c1nc1ccccc1n2" . "Nc1[nH]nc2c1nc1ccccc1n2" . "DWHVZCLBMTZRQM-UHFFFAOYSA-N" . "InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14)" . "Fc1cccc(c1NC(=S)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F" . "Fc1cccc(c1NC(=S)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F" . "ARIOBGGRZJITQX-UHFFFAOYSA-N" . "InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)" . "CCn1cnc2c1nc(NC1CCCCC1N)nc2Nc1cccc(c1)Cl" . "CCn1cnc2c1nc(N[C@@H]1CCCC[C@@H]1N)nc2Nc1cccc(c1)Cl" . "UTBSBSOBZHXMHI-LSDHHAIUSA-N" . "InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1" . "O=C1Nc2c(C1=Cc1c(Cl)[nH]c3c1cccc3)cccc2" . "O=C1Nc2c(/C/1=C/c1c(Cl)[nH]c3c1cccc3)cccc2" . "QJKBRWSJWQVKLY-UKTHLTGXSA-N" . "InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21)/b13-9+" . "OCCOc1ccc(cc1)Cc1nc(=O)c2c(n1)n([nH]c2C(C)C)c1c(Cl)cccc1Cl" . "OCCOc1ccc(cc1)Cc1nc(=O)c2c(n1)n([nH]c2C(C)C)c1c(Cl)cccc1Cl" . "VQNCIRRXQQTXEL-UHFFFAOYSA-N" . "InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,28,30H,10-12H2,1-2H3" . "COc1ccc2c(c1)n(CC)c(=CC(=O)C)s2" . "COc1ccc2c(c1)n(CC)/c(=C/C(=O)C)/s2" . "BGVLELSCIHASRV-QPEQYQDCSA-N" . "InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-" . "NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2" . "NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2" . "DPDZHVCKYBCJHW-UHFFFAOYSA-N" . "InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)" . "Brc1cccc(c1)Nc1ncnc2c1cc1ncn(c1c2)C" . "Brc1cccc(c1)Nc1ncnc2c1cc1ncn(c1c2)C" . "YAMAGACQNDAKFB-UHFFFAOYSA-N" . "InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)" . "OCCCNc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C" . "OCCCNc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C" . "OPQGFIAVPSXOBO-UHFFFAOYSA-N" . "InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)" . "O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2" . "O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2" . "DQYBRTASHMYDJG-UHFFFAOYSA-N" . "InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)" . "COC(=O)c1ccc2c(c1)NC(=O)C2=C(c1ccccc1)Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C" . "COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)/Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C" . "XZXHXSATPCNXJR-ZIADKAODSA-N" . "InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-" . "NC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F" . "NC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F" . "WEVYNIUIFUYDGI-UHFFFAOYSA-N" . "InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)" . "N#CC=CS(=O)(=O)c1ccc(cc1)C" . "N#C/C=C/S(=O)(=O)c1ccc(cc1)C" . "DOEWDSDBFRHVAP-KRXBUXKQSA-N" . "InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+" . "Fc1cnc(nc1)C(Nc1ncc(c(n1)Nc1[nH]nc(c1)C)Cl)C" . "Fc1cnc(nc1)[C@@H](Nc1ncc(c(n1)Nc1[nH]nc(c1)C)Cl)C" . "PDOQBOJDRPLBQU-QMMMGPOBSA-N" . "InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1" . "Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F" . "Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F" . "KDKUVYLMPJIGKA-UHFFFAOYSA-N" . "InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)" . "O=C(C1CC1)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F" . "O=C(C1CC1)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F" . "RDTDWGQDFJPTPD-UHFFFAOYSA-N" . "InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)NC(=O)c1ccccc1" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)NC(=O)c1ccccc1" . "IMYVCWQAHSYYOO-UHFFFAOYSA-N" . "InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)" . "S=C(NC(C(Cl)(Cl)Cl)NC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])F" . "S=C(NC(C(Cl)(Cl)Cl)NC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])F" . "HLCDNLNLQNYZTK-UHFFFAOYSA-N" . "InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)" . "O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1" . "O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1" . "XRKYMMUGXMWDAO-UHFFFAOYSA-N" . "InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2" . "OCC(C(C)C)Nc1nc(Nc2cc(N)cc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "OC[C@@H](C(C)C)Nc1nc(Nc2cc(N)cc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "RAMROQQYRRQPDL-HNNXBMFYSA-N" . "InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1" . "N#CCCc1ccc2c(c1)c1[nH]c3c(c1CC(=O)N2)cc(cc3)[N+](=O)[O-]" . "N#CCCc1ccc2c(c1)c1[nH]c3c(c1CC(=O)N2)cc(cc3)[N+](=O)[O-]" . "UBLFSMURWWWWMH-UHFFFAOYSA-N" . "InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)" . "O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)[N+](=O)[O-]" . "O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)[N+](=O)[O-]" . "OLUKILHGKRVDCT-UHFFFAOYSA-N" . "InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)" . "CCCCc1c(=C2C=CC(=O)C=C2)[nH]c2c1[nH]ccn2" . "CCCCc1c(=C2C=CC(=O)C=C2)[nH]c2c1[nH]ccn2" . "AYIIQABSVDIZSY-UHFFFAOYSA-N" . "InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,17H,2-4H2,1H3,(H,18,19)" . "CCCCc1c([nH]c2c1nccn2)c1ccc(cc1)OC" . "CCCCc1c([nH]c2c1nccn2)c1ccc(cc1)OC" . "WVMANZPBOBRWCB-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20)" . "CCN(CCCCN1c2ccccc2Oc2c1cc(Cl)cc2)CC" . "CCN(CCCCN1c2ccccc2Oc2c1cc(Cl)cc2)CC" . "GYBXAGDWMCJZJK-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3" . "O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccc(cc1)c1nc3cc4[nH]cnc4cc3nc1c1ccccc1)cccc2" . "O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccc(cc1)c1nc3cc4[nH]cnc4cc3nc1c1ccccc1)cccc2" . "BIWGYFZAEWGBAL-UHFFFAOYSA-N" . "InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)" . "OCC1OC(C(C1O)O)n1cc2c3c1ncnc3n(nc2N)C" . "OCC1OC(C(C1O)O)n1cc2c3c1ncnc3n(nc2N)C" . "HOGVTUZUJGHKPL-UHFFFAOYSA-N" . "InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)" . "CC[n+]1c(C=CN(c2ccccc2)C)n(c2c1cc(cc2)c1nc2c(s1)cccc2)c1ccccc1" . "CC[n+]1c(/C=C/N(c2ccccc2)C)n(c2c1cc(cc2)c1nc2c(s1)cccc2)c1ccccc1" . "OTHITMYLBRCVIT-UHFFFAOYSA-N" . "InChI=1S/C31H27N4S/c1-3-34-28-22-23(31-32-26-16-10-11-17-29(26)36-31)18-19-27(28)35(25-14-8-5-9-15-25)30(34)20-21-33(2)24-12-6-4-7-13-24/h4-22H,3H2,1-2H3/q+1" . "Cn1c(C)nc2c1cc1ncc(nc1c2)c1cccs1" . "Cn1c(C)nc2c1cc1ncc(nc1c2)c1cccs1" . "ZGDACLBJJXLKJY-UHFFFAOYSA-N" . "InChI=1S/C15H12N4S/c1-9-17-12-6-11-10(7-14(12)19(9)2)16-8-13(18-11)15-4-3-5-20-15/h3-8H,1-2H3" . "COc1ccc(cc1)C=C(C#N)C#N" . "COc1ccc(cc1)C=C(C#N)C#N" . "UOHFCPXBKJPCAD-UHFFFAOYSA-N" . "InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3" . "N#CC(=Cc1ccc(c(c1)O)O)C(=O)NCc1ccccc1" . "N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)NCc1ccccc1" . "TUCIOBMMDDOEMM-RIYZIHGNSA-N" . "InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+" . "COc1cc2nc(cnc2cc1OC)c1ccccc1" . "COc1cc2nc(cnc2cc1OC)c1ccccc1" . "QNOXYUNHIGOWNY-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3" . "Cc1cc2ncc(nc2cc1C)c1ccccc1" . "Cc1cc2ncc(nc2cc1C)c1ccccc1" . "FQNCLVJEQCJWSU-UHFFFAOYSA-N" . "InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3" . "N#CC(=Cc1ccc(cc1)O)C(=C(C#N)C#N)N" . "N#C/C(=C/c1ccc(cc1)O)/C(=C(C#N)C#N)N" . "DXVJRTIPBNBLLB-BJMVGYQFSA-N" . "InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2/b10-5+" . "N#CC(=Cc1cc(Br)c(c(c1)C(C)(C)C)O)C#N" . "N#CC(=Cc1cc(Br)c(c(c1)C(C)(C)C)O)C#N" . "ABBADGFSRBWENF-UHFFFAOYSA-N" . "InChI=1S/C14H13BrN2O/c1-14(2,3)11-5-9(4-10(7-16)8-17)6-12(15)13(11)18/h4-6,18H,1-3H3" . "CSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(O)O)[BH3-]" . "CSc1nc(N)c2c(n1)n(cn2)C1O[C@@H]([C@@H]([C@@H]1O)O)CO[P@@](=O)(OP(=O)(O)O)[BH3-]" . "NYMPKIXFMTVLTJ-CHJYMILRSA-N" . "InChI=1S/C11H19BN5O9P2S/c1-29-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(25-10)2-24-27(12,20)26-28(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H2,13,15,16)(H2,21,22,23)/q-1/t4-,6+,7+,10?,27-/m1/s1" . "COC1CN(C(=O)NC1=O)C1OC(C(C1O)O)COP(=O)(OP(=O)(O)O)[BH3-]" . "COC1CN(C(=O)NC1=O)C1O[C@@H]([C@@H]([C@@H]1O)O)CO[P@@](=O)(OP(=O)(O)O)[BH3-]" . "YXHXVAMQDBFYRD-ANTPIODHSA-N" . "InChI=1S/C10H20BN2O12P2/c1-22-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)3-23-26(11,18)25-27(19,20)21/h4-7,9,14-15H,2-3H2,1,11H3,(H,12,16,17)(H2,19,20,21)/q-1/t4?,5-,6+,7+,9?,26-/m1/s1" . "OC1C(COP(=O)(C(P(=O)(O)O)(F)F)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@H]1[C@@H](COP(=O)(C(P(=O)(O)O)(F)F)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O" . "JKJYHYKRGKKASI-YDKYIBAVSA-N" . "InChI=1S/C10H14F2N2O11P2/c11-10(12,26(19,20)21)27(22,23)24-3-4-6(16)7(17)8(25-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t4-,6+,7+,8-/m1/s1" . "OC1C(COP(=O)(CCP(=O)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=S" . "O[C@H]1[C@@H](COP(=O)(CCP(=O)(O)O)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=S" . "RCFKBLDZKDFBNO-DOWZNPNQSA-N" . "InChI=1S/C11H18N2O10P2S/c14-7-1-2-13(11(26)12-7)10-9(16)8(15)6(23-10)5-22-25(20,21)4-3-24(17,18)19/h1-2,6,8-10,15-16H,3-5H2,(H,20,21)(H,12,14,26)(H2,17,18,19)/t6-,8+,9+,10-/m1/s1" . "Cc1ccc2c(c1)C=Cc1c(C2c2cn(Cc3ccc(o3)C(=O)Nc3nnn[nH]3)c(=O)[nH]c2=S)ccc(c1)C" . "Cc1ccc2c(c1)C=Cc1c(C2c2cn(Cc3ccc(o3)C(=O)Nc3nnn[nH]3)c(=O)[nH]c2=S)ccc(c1)C" . "PVKNPGQAFNALOI-UHFFFAOYSA-N" . "InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)" . "CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1" . "CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1" . "PFSWASUQURIOOR-UHFFFAOYSA-N" . "InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)" . "CC(=O)OCCCNC1CCCc2c1c(O)no2" . "CC(=O)OCCCNC1CCCc2c1c(O)no2" . "BQHOBAROVZNICB-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O4/c1-8(15)17-7-3-6-13-9-4-2-5-10-11(9)12(16)14-18-10/h9,13H,2-7H2,1H3,(H,14,16)" . "CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCCC1C(=O)NC1CCC1)c1ccccc1" . "CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1" . "QCKRRHRHLONWIP-SANMLTNESA-N" . "InChI=1S/C32H43N7O7/c1-2-3-19-45-32(44)37-17-15-36(16-18-37)27(40)21-33-30(42)25-20-29(39(35-25)24-11-5-4-6-12-24)46-22-28(41)38-14-8-13-26(38)31(43)34-23-9-7-10-23/h4-6,11-12,20,23,26H,2-3,7-10,13-19,21-22H2,1H3,(H,33,42)(H,34,43)/t26-/m0/s1" . "CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O" . "CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O" . "HPSHQEAEJMOGDO-NRFANRHFSA-N" . "InChI=1S/C29H37N5O9/c1-3-41-27(39)29(13-8-14-29)43-23-19-22(31-34(23)20-9-6-5-7-10-20)25(37)30-21(11-12-24(35)36)26(38)32-15-17-33(18-16-32)28(40)42-4-2/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H,30,37)(H,35,36)/t21-/m0/s1" . "[Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na]" . "[Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na]" . "QBLLYXXXOJUNCV-UHFFFAOYSA-L" . "InChI=1S/C26H19N3O8S2.2Na/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14;;/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2" . "CON=c1ccn(c(=O)[nH]1)C1OC(C(C1O)O)COP(=O)(OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)O" . "CO/N=c/1/ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]([C@@H]1O)O)COP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O" . "SIKKMGJHOOQSAP-AOUMTEFLSA-N" . "InChI=1S/C19H28N5O20P3/c1-38-22-10-2-4-23(18(30)20-10)16-14(28)12(26)8(41-16)6-39-45(32,33)43-47(36,37)44-46(34,35)40-7-9-13(27)15(29)17(42-9)24-5-3-11(25)21-19(24)31/h2-5,8-9,12-17,26-29H,6-7H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,20,22,30)(H,21,25,31)/t8-,9-,12+,13+,14+,15+,16-,17-/m1/s1" . "OC1C(COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O)OC(C1O)n1ccc(=S)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O)O[C@H]([C@@H]1O)n1ccc(=S)[nH]c1=O" . "DFGBPSGNGNHNQM-XVFCMESISA-N" . "InChI=1S/C10H15F2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1" . "CC(c1ccccc1Oc1ncccc1Nc1nnc(s1)c1ccc(cc1)C(F)(F)F)(C)C" . "CC(c1ccccc1Oc1ncccc1Nc1nnc(s1)c1ccc(cc1)C(F)(F)F)(C)C" . "ROIKEXLVELZTIZ-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N4OS/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(33-22)15-10-12-16(13-11-15)24(25,26)27/h4-14H,1-3H3,(H,29,31)" . "CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl)C(=O)COC(=O)CC" . "CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC" . "KUVIULQEHSCUHY-XYWKZLDCSA-N" . "InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1" . "COc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O" . "COc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O" . "XQDCKJKKMFWXGB-UHFFFAOYSA-N" . "InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F" . "GPXBXXGIAQBQNI-UHFFFAOYSA-N" . "InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)" . "COC1CC(CCC1OC(=O)C(CO)(CO)C)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "CO[C@@H]1C[C@@H](CC[C@H]1OC(=O)C(CO)(CO)C)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "CBPNZQVSJQDFBE-FUXHJELOSA-N" . "InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1" . "CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "FNHKPVJBJVTLMP-UHFFFAOYSA-N" . "InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C" . "PHXJVRSECIGDHY-UHFFFAOYSA-N" . "InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)" . "OCCOC1CCC(CC1OC)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "OCCO[C@@H]1CC[C@H](C[C@H]1OC)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "HKVAMNSJSFKALM-GKUWKFKPSA-N" . "InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "ONIQOQHATWINJY-UHFFFAOYSA-N" . "InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)" . "OCC1C(=O)OC1CCCCC(CC(=CC(=CC(=O)O)C)C)C" . "OC[C@H]1C(=O)O[C@@H]1CCCC[C@H](C/C(=C/C(=C/C(=O)O)/C)/C)C" . "ODCZJZWSXPVLAW-KXCGKLMDSA-N" . "InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1" . "OC(COc1ccc(cc1)C(=O)O)CCc1ccc(cc1)C(C)(C)C" . "OC(COc1ccc(cc1)C(=O)O)CCc1ccc(cc1)C(C)(C)C" . "LNXBEIZREVRNTF-UHFFFAOYSA-N" . "InChI=1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24)" . "COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1" . "COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1" . "YAWJYESYIAWFJX-URLMMPGGSA-N" . "InChI=1S/C35H37N7O3/c1-4-22-21-41(30-14-8-6-11-26(22)30)35-40-39-33(42(35)31-16-15-24(44-2)19-32(31)45-3)29(38-34(43)28-13-9-17-36-28)18-23-20-37-27-12-7-5-10-25(23)27/h5-8,10-12,14-16,19-21,28-29,36-37H,4,9,13,17-18H2,1-3H3,(H,38,43)/t28-,29+/m0/s1" . "O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N" . "O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N" . "MLBYOWASRACYDH-UHFFFAOYSA-N" . "InChI=1S/C23H28N6O2/c1-23(2,3)29-22(30)26-17-11-9-16(10-12-17)19-18(27-21(25)28-20(19)24)14-31-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,26,29,30)(H4,24,25,27,28)" . "O=C(C(c1cccnc1)N1CCN2C(C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "QNOSCJDGJKVFJR-RTBURBONSA-N" . "InChI=1S/C22H23F6N5O/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-31-20(34)19(14-3-1-5-29-12-14)33-8-7-32-6-2-4-18(32)13-33/h1,3,5,9-12,18-19,30H,2,4,6-8,13H2,(H,31,34)/t18-,19-/m1/s1" . "OC(=O)c1cc(O)c(c(c1)O)O" . "OC(=O)c1cc(O)c(c(c1)O)O" . "LNTHITQWFMADLM-UHFFFAOYSA-N" . "InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)" . "O=C(CC(N)(C)C)NC1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2" . "O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2" . "SBJLJOFPWOYATP-XMMPIXPASA-N" . "InChI=1S/C29H31N7O2/c1-29(2,30)17-26(37)31-24-16-15-21-7-3-6-10-25(21)36(28(24)38)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27-32-34-35-33-27/h3-14,24H,15-18,30H2,1-2H3,(H,31,37)(H,32,33,34,35)/t24-/m1/s1" . "O=C(C(NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C" . "O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C" . "UMUPQWIGCOZEOY-JOCHJYFZSA-N" . "InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1" . "CCN(CCN1c2cc(cc(c2C(C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC" . "CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC" . "YSSPGXCFFITNCE-OAQYLSRUSA-N" . "InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1" . "OC(=O)CCCCC1=CC2C(C1)C(C(C2)O)C=CCCc1cccc(c1)C" . "OC(=O)CCCCC1=C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/CCc1cccc(c1)C" . "UZEWMXSWYKBMJG-ROHPBGETSA-N" . "InChI=1S/C24H32O3/c1-17-7-6-10-18(13-17)8-2-4-11-21-22-15-19(9-3-5-12-24(26)27)14-20(22)16-23(21)25/h4,6-7,10-11,13-14,20-23,25H,2-3,5,8-9,12,15-16H2,1H3,(H,26,27)/b11-4+/t20-,21+,22-,23+/m0/s1" . "OC(=O)CCCCC1=CC2C(C1)C(C(C2)O)C=CC(Cc1cccc(c1)C)O" . "OC(=O)CCCCC1=C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/[C@@H](Cc1cccc(c1)C)O" . "WECZQLFTKNIXDD-RNJUVHPUSA-N" . "InChI=1S/C24H32O4/c1-16-5-4-7-17(11-16)13-20(25)9-10-21-22-14-18(6-2-3-8-24(27)28)12-19(22)15-23(21)26/h4-5,7,9-12,19-23,25-26H,2-3,6,8,13-15H2,1H3,(H,27,28)/b10-9+/t19-,20-,21+,22-,23+/m0/s1" . "O=C1C=CC=CC1=CNNC(=O)c1ccccc1O" . "O=C1C=CC=C/C/1=C/NNC(=O)c1ccccc1O" . "NCCJLHWEUIAECU-KTKRTIGZSA-N" . "InChI=1S/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,15,18H,(H,16,19)/b10-9-" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N" . "OTZRAYGBFWZKMX-FRFVZSDQSA-N" . "InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1" . "CCN(c1ccccc1)CC1COC(=N1)N" . "CCN(c1ccccc1)C[C@H]1COC(=N1)N" . "PPONHQQJLWPUPH-JTQLQIEISA-N" . "InChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1" . "CCCc1c(OCCCCC=CC=CC(C(c2cccc(c2)C(F)(F)F)O)Sc2ccc3c(c2)oc(cc3=O)C(=O)O)ccc(c1O)C(=O)C" . "CCCc1c(OCCCC/C=C/C=C/[C@@H]([C@@H](c2cccc(c2)C(F)(F)F)O)Sc2ccc3c(c2)oc(cc3=O)C(=O)O)ccc(c1O)C(=O)C" . "IXJCHVMUTFCRBH-SDUHDBOFSA-N" . "InChI=1S/C38H37F3O8S/c1-3-11-29-31(18-17-27(23(2)42)36(29)45)48-19-9-7-5-4-6-8-14-34(35(44)24-12-10-13-25(20-24)38(39,40)41)50-26-15-16-28-30(43)22-33(37(46)47)49-32(28)21-26/h4,6,8,10,12-18,20-22,34-35,44-45H,3,5,7,9,11,19H2,1-2H3,(H,46,47)/b6-4-,14-8+/t34-,35+/m0/s1" . "OC(Cc1ccccc1)C=CC1CCC(=O)N1CCCCCCc1nnn[nH]1" . "O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1" . "JWYPJSNXPZTEHL-VJKINUSGSA-N" . "InChI=1S/C21H29N5O2/c27-19(16-17-8-4-3-5-9-17)13-11-18-12-14-21(28)26(18)15-7-2-1-6-10-20-22-24-25-23-20/h3-5,8-9,11,13,18-19,27H,1-2,6-7,10,12,14-16H2,(H,22,23,24,25)/b13-11+/t18-,19+/m0/s1" . "CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C" . "CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C" . "HZVLFTCYCLXTGV-UHFFFAOYSA-N" . "InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)" . "Clc1ccc(c(c1)C(=O)NC(c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F" . "Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F" . "MWBNCZHVEXULBD-ZDUSSCGKSA-N" . "InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1" . "CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC" . "CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC" . "WVLIUERFVJYBNY-UHFFFAOYSA-N" . "InChI=1S/C32H33N3O7S/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4/h7-16H,5-6,17-19H2,1-4H3,(H,34,36)" . "OC(=O)COc1cccc2c1CCC(C2)(O)COC(=O)N(c1ccccc1)c1ccccc1" . "OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1" . "UZJAIYJXBYWENR-AREMUKBSSA-N" . "InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1" . "OC(=O)COc1cccc(c1)CC1CCCC=C1c1nc(c(o1)c1ccccc1)c1ccccc1" . "OC(=O)COc1cccc(c1)CC1CCCC=C1c1nc(c(o1)c1ccccc1)c1ccccc1" . "QVZSFHJAGXKMMQ-UHFFFAOYSA-N" . "InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)" . "OC(=O)CCCC=CCC1C2CCC(C1C=NOC(c1ccccc1)c1ccccc1)C=C2" . "OC(=O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@H]([C@H]1/C=N/OC(c1ccccc1)c1ccccc1)C=C2" . "NBBRUBRIVJNCKV-BYSZDLRWSA-N" . "InChI=1S/C29H33NO3/c31-28(32)16-10-2-1-9-15-26-22-17-19-23(20-18-22)27(26)21-30-33-29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h1,3-9,11-14,17,19,21-23,26-27,29H,2,10,15-16,18,20H2,(H,31,32)/b9-1-,30-21+/t22-,23+,26+,27+/m0/s1" . "OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C" . "OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C" . "OJQMKCBWYCWFPU-UHFFFAOYSA-N" . "InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)" . "OC(=O)C(Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1" . "OC(=O)[C@@H](Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1" . "RRYFPNITZGCUPZ-DEOSSOPVSA-N" . "InChI=1S/C26H23N3O3/c30-26(31)24(15-19-7-3-1-4-8-19)29-25-16-23(27-18-28-25)21-11-13-22(14-12-21)32-17-20-9-5-2-6-10-20/h1-14,16,18,24H,15,17H2,(H,30,31)(H,27,28,29)/t24-/m0/s1" . "CCCCCCCCCC(CC(=O)O)O" . "CCCCCCCCCC(CC(=O)O)O" . "MUCMKTPAZLSKTL-UHFFFAOYSA-N" . "InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)" . "CCCCCCCCCCC(C(=O)O)O" . "CCCCCCCCCCC(C(=O)O)O" . "YDZIJQXINJLRLL-UHFFFAOYSA-N" . "InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)" . "CCCCCCCC(CC(=O)O)O" . "CCCCCCCC(CC(=O)O)O" . "FYSSBMZUBSBFJL-UHFFFAOYSA-N" . "InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)" . "CCCCCCCCC(C(=O)O)O" . "CCCCCCCCC(C(=O)O)O" . "GHPVDCPCKSNJDR-UHFFFAOYSA-N" . "InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)" . "COc1ccc(cc1S(=O)(=O)NC(=O)C=Cc1cc(Cl)ccc1Cc1ccc2c(c1)cccc2)Br" . "COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1cc(Cl)ccc1Cc1ccc2c(c1)cccc2)Br" . "DYXFUJYHEDGCLS-UKTHLTGXSA-N" . "InChI=1S/C27H21BrClNO4S/c1-34-25-12-10-23(28)17-26(25)35(32,33)30-27(31)13-9-22-16-24(29)11-8-21(22)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-14,16-17H,15H2,1H3,(H,30,31)/b13-9+" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)O)C(O)C)CCC(=O)O)C(C)C)CCC(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)CC(C)C)CC(C)C " . "CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C" . "KKWBTFWTAVUNSC-NMUKIVKQSA-N" . "InChI=1S/C67H102N16O21/c1-33(2)24-43(75-48(85)27-68)60(96)77-44(25-34(3)4)61(97)78-45(26-38-28-69-40-15-11-10-14-39(38)40)62(98)80-56(36(7)8)66(102)76-42(19-21-54(92)93)59(95)79-55(35(5)6)65(101)71-29-49(86)70-30-50(87)74-41(18-20-53(90)91)58(94)72-31-51(88)82-22-12-16-46(82)63(99)73-32-52(89)83-23-13-17-47(83)64(100)81-57(37(9)84)67(103)104/h10-11,14-15,28,33-37,41-47,55-57,69,84H,12-13,16-27,29-32,68H2,1-9H3,(H,70,86)(H,71,101)(H,72,94)(H,73,99)(H,74,87)(H,75,85)(H,76,102)(H,77,96)(H,78,97)(H,79,95)(H,80,98)(H,81,100)(H,90,91)(H,92,93)(H,103,104)/t37-,41+,42+,43+,44+,45+,46+,47+,55+,56+,57+/m1/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)C(CCSC)N" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCSC)N" . "HOPVQBLVLLHWOU-BLVAWXTGSA-N" . "InChI=1S/C33H52N6O6S2/c1-19(2)15-26(31(42)39-28(33(44)45)16-20(3)4)37-32(43)27(17-21-18-35-24-10-8-7-9-22(21)24)38-30(41)25(12-14-47-6)36-29(40)23(34)11-13-46-5/h7-10,18-20,23,25-28,35H,11-17,34H2,1-6H3,(H,36,40)(H,37,43)(H,38,41)(H,39,42)(H,44,45)/t23-,25-,26-,27-,28-/m0/s1" . "COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1" . "COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1" . "ULOKADSYVZOTTL-ZMOGYAJESA-N" . "InChI=1S/C23H20N2O5/c1-27-21-11-17(7-9-19(21)28-14-16-5-3-2-4-6-16)13-24-25-23(26)18-8-10-20-22(12-18)30-15-29-20/h2-13H,14-15H2,1H3,(H,25,26)/b24-13+" . "COc1cccc(c1)Cc1cc(C)nn(c1=O)C(C(=O)Nc1ccc(cc1)Br)c1ccccc1" . "COc1cccc(c1)Cc1cc(C)nn(c1=O)[C@@H](C(=O)Nc1ccc(cc1)Br)c1ccccc1" . "SPUZCVBKJUVZSD-RUZDIDTESA-N" . "InChI=1S/C27H24BrN3O3/c1-18-15-21(16-19-7-6-10-24(17-19)34-2)27(33)31(30-18)25(20-8-4-3-5-9-20)26(32)29-23-13-11-22(28)12-14-23/h3-15,17,25H,16H2,1-2H3,(H,29,32)/t25-/m1/s1" . "COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]" . "COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]" . "LYQDSNOFTIZWAX-UHFFFAOYSA-N" . "InChI=1S/C16H14N4O4S/c1-24-12-6-7-13-14(8-12)19-16(18-13)25-9-15(21)17-10-2-4-11(5-3-10)20(22)23/h2-8H,9H2,1H3,(H,17,21)(H,18,19)" . "OC(=O)C(Cn1oc(=O)[nH]c1=O)N" . "OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N" . "ASNFTDCKZKHJSW-REOHCLBHSA-N" . "InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1" . "COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC" . "COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC" . "FKTAXVGJKVSANI-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O2S2/c1-22-12-5-8-14-15(9-12)20-17(19-14)24-10-16(21)18-11-3-6-13(23-2)7-4-11/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)" . "O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl" . "O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl" . "PAEBEUZTAPIOIO-UHFFFAOYSA-N" . "InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)" . "Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O" . "Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O" . "AHTURLVFIJHCLS-UHFFFAOYSA-N" . "InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)" . "CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC" . "CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC" . "AIMYRLXVAOYQLA-UHFFFAOYSA-N" . "InChI=1S/C23H25N3O3S/c1-4-28-15-9-10-20-16(13-15)14(2)21(29-20)23(27)26-19(11-12-30-3)22-24-17-7-5-6-8-18(17)25-22/h5-10,13,19H,4,11-12H2,1-3H3,(H,24,25)(H,26,27)" . "CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C" . "CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C" . "HTTVYKXJCQENKW-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3" . "CC(C(N1C(=S)SC(=C2c3ccccc3N(C2=O)C)C1=O)C(=O)O)C" . "CC(C(N1C(=S)S/C(=C/2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C" . "ICRQMQBVDGOOFY-QBFSEMIESA-N" . "InChI=1S/C17H16N2O4S2/c1-8(2)12(16(22)23)19-15(21)13(25-17(19)24)11-9-6-4-5-7-10(9)18(3)14(11)20/h4-8,12H,1-3H3,(H,22,23)/b13-11-" . "CC(c1cccc(c1O)C(C)C)C" . "CC(c1cccc(c1O)C(C)C)C" . "OLBCVFGFOZPWHH-UHFFFAOYSA-N" . "InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3" . "O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1" . "O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1" . "MBGGBVCUIVRRBF-UHFFFAOYSA-N" . "InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2" . "Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl" . "Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl" . "UCOQCHLODZCXRH-UHFFFAOYSA-N" . "InChI=1S/C14H10Cl3NO2/c1-7-2-3-10(16)12(4-7)18-14(20)9-5-8(15)6-11(17)13(9)19/h2-6,19H,1H3,(H,18,20)" . "O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O" . "O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O" . "BLJLWFKNTKAUDA-UHFFFAOYSA-N" . "InChI=1S/C27H23NO3/c1-18(22-15-8-12-19-9-2-5-13-23(19)22)26(29)28-25-16-7-4-11-21(25)17-20-10-3-6-14-24(20)27(30)31/h2-16,18H,17H2,1H3,(H,28,29)(H,30,31)" . "CC(CC(c1cc(C)cc(c1)C)NC(=C)c1cc(ccc1CCC(=O)O)COc1ccccc1C)C" . "CC(C[C@H](c1cc(C)cc(c1)C)NC(=C)c1cc(ccc1CCC(=O)O)COc1ccccc1C)C" . "MIHNFQDPLQJFEZ-SSEXGKCCSA-N" . "InChI=1S/C32H39NO3/c1-21(2)15-30(28-17-22(3)16-23(4)18-28)33-25(6)29-19-26(11-12-27(29)13-14-32(34)35)20-36-31-10-8-7-9-24(31)5/h7-12,16-19,21,30,33H,6,13-15,20H2,1-5H3,(H,34,35)/t30-/m1/s1" . "Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(C=CC(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C" . "Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C" . "BFBTVZNKWXWKNZ-HWKANZROSA-N" . "InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+" . "O=C(NC(c1ccccc1)c1ccccc1)CCc1cccc2c1cccc2OCC(=O)O" . "O=C(NC(c1ccccc1)c1ccccc1)CCc1cccc2c1cccc2OCC(=O)O" . "YAPFKFDLARVWDB-UHFFFAOYSA-N" . "InChI=1S/C28H25NO4/c30-26(29-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22)18-17-20-13-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-16,28H,17-19H2,(H,29,30)(H,31,32)" . "CCCCCC(CCC1C(O)CC2C1Cc1cccc(c1C2)OCC(=O)O)O" . "CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O" . "PAJMKGZZBBTTOY-ZFORQUDYSA-N" . "InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1" . "CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1" . "CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1" . "SCIMXCMXGZZKTB-UHFFFAOYSA-N" . "InChI=1S/C17H19NO4S/c1-2-21-17(20)14-11-7-4-3-5-9-13(11)23-16(14)18-15(19)12-8-6-10-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,18,19)" . "COc1cc(C=CC(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC" . "COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC" . "YBHUXHFZLMFETJ-MDZDMXLPSA-N" . "InChI=1S/C23H26N2O4/c1-16-13-18-7-5-6-8-19(18)25(16)12-11-24-22(26)10-9-17-14-20(27-2)23(29-4)21(15-17)28-3/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)/b10-9+" . "COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O" . "COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O" . "LWJGMYMNSNVCEM-UHFFFAOYSA-N" . "InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)" . "OC(=O)C(c1o[nH]c(=O)c1)N" . "OC(=O)C(c1o[nH]c(=O)c1)N" . "IRJCBFDCFXCWGO-UHFFFAOYSA-N" . "InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)" . "OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1" . "OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1" . "MFFBXYNKZHTCEY-UHFFFAOYSA-N" . "InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)" . "CCC(N(C(=O)C1CCCCC1)Cc1cc2ccccc2n(c1=O)C)(CCN1CCOCC1)C" . "CCC(N(C(=O)C1CCCCC1)Cc1cc2ccccc2n(c1=O)C)(CCN1CCOCC1)C" . "FWHNGUFKFXDMER-UHFFFAOYSA-N" . "InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3" . "CCN(C(=O)CCC1(c2ccc(cc2)Cl)n2ccnc2c2c1c(OC)ccc2)CC" . "CCN(C(=O)CCC1(c2ccc(cc2)Cl)n2ccnc2c2c1c(OC)ccc2)CC" . "YBTRRYYNHWVJLG-UHFFFAOYSA-N" . "InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3" . "Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1" . "Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1" . "SFRQIPRTNYHJHP-UHFFFAOYSA-N" . "InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)" . "O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)S(=C)(=C)Nc1onc(c1C)C" . "O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)S(=C)(=C)Nc1onc(c1C)C" . "ZRNSPTWPSVBOTC-UHFFFAOYSA-N" . "InChI=1S/C20H20Cl2N4O2S/c1-12-13(2)25-28-19(12)26-29(3,4)16-8-5-14(6-9-16)23-20(27)24-15-7-10-17(21)18(22)11-15/h5-11,26H,3-4H2,1-2H3,(H2,23,24,27)" . "CNC1CCCc2c1c(O)no2" . "CNC1CCCc2c1c(O)no2" . "UJAXSQRTPSSJPO-UHFFFAOYSA-N" . "InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)" . "O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F" . "O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F" . "AHFLGPTXSIRAQK-UHFFFAOYSA-N" . "InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)" . "CCCCCc1ccc(cc1)NC(=O)Nc1cccc2c1oc(c2)c1ccccc1C(C)C" . "CCCCCc1ccc(cc1)NC(=O)Nc1cccc2c1oc(c2)c1ccccc1C(C)C" . "ASCJIAKBYVUVNZ-UHFFFAOYSA-N" . "InChI=1S/C29H32N2O2/c1-4-5-6-10-21-15-17-23(18-16-21)30-29(32)31-26-14-9-11-22-19-27(33-28(22)26)25-13-8-7-12-24(25)20(2)3/h7-9,11-20H,4-6,10H2,1-3H3,(H2,30,31,32)" . "CCC1C(C)C(Nc2ccccc2)c2c(N1C(=O)c1cc(Cl)cc(c1)Cl)cccc2" . "CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2c(N1C(=O)c1cc(Cl)cc(c1)Cl)cccc2" . "DKLLTFTXYHJXHK-OAEOJWKDSA-N" . "InChI=1S/C25H24Cl2N2O/c1-3-22-16(2)24(28-20-9-5-4-6-10-20)21-11-7-8-12-23(21)29(22)25(30)17-13-18(26)15-19(27)14-17/h4-16,22,24,28H,3H2,1-2H3/t16-,22-,24+/m1/s1" . "CCc1ccccc1n1nc(cc1Oc1ccccc1NC(=O)Nc1ccc(cc1)C1CCCCC1)C" . "CCc1ccccc1n1nc(cc1Oc1ccccc1NC(=O)Nc1ccc(cc1)C1CCCCC1)C" . "BLOWXIFVYOKSMX-UHFFFAOYSA-N" . "InChI=1S/C31H34N4O2/c1-3-23-11-7-9-15-28(23)35-30(21-22(2)34-35)37-29-16-10-8-14-27(29)33-31(36)32-26-19-17-25(18-20-26)24-12-5-4-6-13-24/h7-11,14-21,24H,3-6,12-13H2,1-2H3,(H2,32,33,36)" . "O=C(Nc1ccccc1Oc1cc(nn1c1ccccc1Cl)C)Nc1ccc(cc1)OC(F)(F)F" . "O=C(Nc1ccccc1Oc1cc(nn1c1ccccc1Cl)C)Nc1ccc(cc1)OC(F)(F)F" . "SAIPZPCGTLOMFE-UHFFFAOYSA-N" . "InChI=1S/C24H18ClF3N4O3/c1-15-14-22(32(31-15)20-8-4-2-6-18(20)25)34-21-9-5-3-7-19(21)30-23(33)29-16-10-12-17(13-11-16)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33)" . "CC(C(C(=O)Nc1nccs1)c1ccc(cc1)Cl)C" . "CC([C@H](C(=O)Nc1nccs1)c1ccc(cc1)Cl)C" . "AZYDQCGCBQYFSE-LBPRGKRZSA-N" . "InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1" . "OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F" . "OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F" . "FOECKIWHCOYYFL-UHFFFAOYSA-N" . "InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)" . "CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O" . "CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O" . "OVDGUTHABMXVMI-UHFFFAOYSA-N" . "InChI=1S/C10H12N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14)" . "OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1" . "OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1" . "SQUDZZYXGWLQLZ-UHFFFAOYSA-N" . "InChI=1S/C14H13N3O2S2/c18-14(19)12-5-13(16-15-12)17(6-10-1-3-20-8-10)7-11-2-4-21-9-11/h1-5,8-9H,6-7H2,(H,15,16)(H,18,19)" . "OC(=O)C(CC(=O)c1ccccc1N)N" . "OC(=O)[C@@H](CC(=O)c1ccccc1N)N" . "YGPSJZOEDVAXAB-MRVPVSSYSA-N" . "InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m1/s1" . "OC(=O)C(Cc1c[nH]c2c1cccc2)N" . "OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N" . "QIVBCDIJIAJPQS-SECBINFHSA-N" . "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1" . "NC(C(=O)O)Cc1ccccc1" . "N[C@@H](C(=O)O)Cc1ccccc1" . "COLNVLDHVKWLRT-MRVPVSSYSA-N" . "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1" . "CC(NC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)C(C)C)COc1ccccc1" . "C[C@@H](NC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)C(C)C)COc1ccccc1" . "DJSWNINDPRRCLC-GOSISDBHSA-N" . "InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1" . "ClC1CCC(CC1Cl)c1cnn2c1ncc(c2C)C(=O)NCCOc1ccccc1" . "ClC1CCC(CC1Cl)c1cnn2c1ncc(c2C)C(=O)NCCOc1ccccc1" . "BHDJYYFELGTSTL-UHFFFAOYSA-N" . "InChI=1S/C22H24Cl2N4O2/c1-14-17(22(29)25-9-10-30-16-5-3-2-4-6-16)12-26-21-18(13-27-28(14)21)15-7-8-19(23)20(24)11-15/h2-6,12-13,15,19-20H,7-11H2,1H3,(H,25,29)" . "OC(=O)c1n[nH]c2c1CC(C2)c1ccnn1C" . "OC(=O)c1n[nH]c2c1CC(C2)c1ccnn1C" . "ZAJBYTSUTBCMRM-UHFFFAOYSA-N" . "InChI=1S/C11H12N4O2/c1-15-9(2-3-12-15)6-4-7-8(5-6)13-14-10(7)11(16)17/h2-3,6H,4-5H2,1H3,(H,13,14)(H,16,17)" . "Oc1ccc2c(c1)ncc(n2)N1CCN(CC1)C(=O)Nc1ccccc1C(=O)O" . "Oc1ccc2c(c1)ncc(n2)N1CCN(CC1)C(=O)Nc1ccccc1C(=O)O" . "YBFBENHWPRGUMU-UHFFFAOYSA-N" . "InChI=1S/C20H19N5O4/c26-13-5-6-16-17(11-13)21-12-18(22-16)24-7-9-25(10-8-24)20(29)23-15-4-2-1-3-14(15)19(27)28/h1-6,11-12,26H,7-10H2,(H,23,29)(H,27,28)" . "O=C(Nc1ccccc1C(=O)O)CCc1cnn2c1CCc1c2ccc(c1)O" . "O=C(Nc1ccccc1C(=O)O)CCc1cnn2c1CCc1c2ccc(c1)O" . "PCUNTWOSLIUDRR-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28)" . "n1nnc([nH]1)c1n[nH]c2c1CC1C2C1" . "n1nnc([nH]1)c1n[nH]c2c1CC1C2C1" . "DKSPRNJUDCWTID-UHFFFAOYSA-N" . "InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)" . "CC1CCC(=C(C1)NC(=O)C(Cc1onc(n1)c1ccc(cn1)F)N)C(=O)O" . "C[C@@H]1CCC(=C(C1)NC(=O)[C@H](Cc1onc(n1)c1ccc(cn1)F)N)C(=O)O" . "CDYGJIFOATYSNF-SKDRFNHKSA-N" . "InChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1" . "Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C" . "Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C" . "CJHXBFSJXDUJHP-UHFFFAOYSA-N" . "InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)" . "OC(=O)C=Cc1ccc(cc1)O" . "OC(=O)/C=C/c1ccc(cc1)O" . "NGSWKAQJJWESNS-ZZXKWVIFSA-N" . "InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+" . "COC(=O)C=CC(=O)O" . "COC(=O)/C=C/C(=O)O" . "NKHAVTQWNUWKEO-NSCUHMNNSA-N" . "InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+" . "OC(=O)c1n[nH]c2c1CC1C2C1" . "OC(=O)c1n[nH]c2c1CC1C2C1" . "CUTZNERBKDMLAP-UHFFFAOYSA-N" . "InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)" . "n1[nH]nc(n1)c1n[nH]c2c1CCC2" . "n1[nH]nc(n1)c1n[nH]c2c1CCC2" . "LTQYSJKGRPGMPO-UHFFFAOYSA-N" . "InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)" . "Oc1cc(O)cc(c1)C(=O)O" . "Oc1cc(O)cc(c1)C(=O)O" . "UYEMGAFJOZZIFP-UHFFFAOYSA-N" . "InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)" . "CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C" . "CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C" . "WFLHEXUTTRRXFJ-UHFFFAOYSA-N" . "InChI=1S/C21H29N3O/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18/h4-10,13,17,19H,11-12,14-16H2,1-3H3" . "O=C1NCCCN1C1CCN(CC1)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C" . "O=C1NCCCN1C1CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C" . "SCMPVSAUZONHCN-JOCHJYFZSA-N" . "InChI=1S/C27H34Cl2N4O2/c1-31(26(34)20-6-3-2-4-7-20)19-22(21-8-9-24(28)25(29)18-21)10-15-32-16-11-23(12-17-32)33-14-5-13-30-27(33)35/h2-4,6-9,18,22-23H,5,10-17,19H2,1H3,(H,30,35)/t22-/m1/s1" . "CCC(c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1" . "CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1" . "QYTBBBAHNIWFOD-NRFANRHFSA-N" . "InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1" . "O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)NC(c1ccccc1)C1CC1" . "O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1" . "YTXUTYGRBYCUIL-HHHXNRCGSA-N" . "InChI=1S/C29H29N3O3S/c1-32(36(2,34)35)19-24-26(29(33)31-27(22-17-18-22)20-11-5-3-6-12-20)23-15-9-10-16-25(23)30-28(24)21-13-7-4-8-14-21/h3-16,22,27H,17-19H2,1-2H3,(H,31,33)/t27-/m1/s1" . "Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)NC(c1ccccc1)C1CC1" . "Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1" . "ZKGNLARKIMWKFE-XMMPIXPASA-N" . "InChI=1S/C26H22FN3O/c27-19-10-6-9-18(15-19)25-23(28)22(20-11-4-5-12-21(20)29-25)26(31)30-24(17-13-14-17)16-7-2-1-3-8-16/h1-12,15,17,24H,13-14,28H2,(H,30,31)/t24-/m1/s1" . "CCC(c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1" . "CC[C@@H](c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1" . "RJIWGNBRTQFKBW-NRFANRHFSA-N" . "InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1" . "ON=C(C(=O)N1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)C(=O)N(C2)C(C)C)C" . "O/N=C(/C(=O)N1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)C(=O)N(C2)C(C)C)/C" . "OYOSXTKSOATNNB-MZJWZYIUSA-N" . "InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13,33H,8-12H2,1-3H3,(H,24,25,26)/b27-14+" . "O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)NC(C(C)(C)C)C" . "O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C" . "RTUNBOPBBCULLC-DEOSSOPVSA-N" . "InChI=1S/C33H44N4O/c1-24(33(2,3)4)34-32(38)30-27-15-9-10-16-29(27)35-31(25-13-7-5-8-14-25)28(30)23-36-21-17-26(18-22-36)37-19-11-6-12-20-37/h5,7-10,13-16,24,26H,6,11-12,17-23H2,1-4H3,(H,34,38)/t24-/m0/s1" . "NC(=O)NCCCCCCCNC(=O)C(Cc1cccc(c1F)F)(NC(=O)OC(c1ccccc1)C(C)C)C" . "NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C" . "IWEYVTFOHKCWJN-SVEHJYQDSA-N" . "InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29-/m0/s1" . "COc1ccc(cc1CNC1CCCNC1c1ccccc1)n1nnnc1C(F)(F)F" . "COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)n1nnnc1C(F)(F)F" . "XILNRORTJVDYRH-HKUYNNGSSA-N" . "InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1" . "OCCCCCCCCNC(C(=O)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C" . "OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C" . "LLSVPRQAIHTVBK-QVWWMRLHSA-N" . "InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-29(38)32(4,24-26-19-13-10-14-20-26)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,33,36H,5-8,15-16,21-24H2,1-4H3,(H,34,39)(H,35,37,38)/t27-,32+/m0/s1" . "COC(=O)C(c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1" . "COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1" . "IUMQXQJZIHWLIN-HSZRJFAPSA-N" . "InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m1/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)C " . "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "HQAUWHJHJSFZOL-LSXSSXCESA-N" . "InChI=1S/C35H57N9O7/c1-20(2)17-26(31(47)40-22(5)29(45)41-25(34(50)51)13-9-15-39-35(37)38)42-32(48)28-14-10-16-44(28)33(49)27(18-21(3)4)43-30(46)24(36)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-28H,9-10,13-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CCCCN)CCCCN)CCCN=C(N)N)C)CO " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "WZZZEVMVZFWLNO-QYEYXIDWSA-N" . "InChI=1S/C86H134N26O18/c1-47(2)37-65(75(120)99-45-71(116)104-66(38-48(3)4)81(126)102-49(5)72(117)108-64(84(129)130)27-18-36-96-86(93)94)110-79(124)62(25-13-16-34-89)107-83(128)69(46-113)112-73(118)50(6)101-77(122)63(26-17-35-95-85(91)92)106-82(127)67(39-51-28-30-54(114)31-29-51)111-80(125)61(24-12-15-33-88)105-78(123)60(23-11-14-32-87)103-70(115)44-100-76(121)68(41-53-43-98-59-22-10-8-20-56(53)59)109-74(119)57(90)40-52-42-97-58-21-9-7-19-55(52)58/h7-10,19-22,28-31,42-43,47-50,57,60-69,97-98,113-114H,11-18,23-27,32-41,44-46,87-90H2,1-6H3,(H,99,120)(H,100,121)(H,101,122)(H,102,126)(H,103,115)(H,104,116)(H,105,123)(H,106,127)(H,107,128)(H,108,117)(H,109,119)(H,110,124)(H,111,125)(H,112,118)(H,129,130)(H4,91,92,95)(H4,93,94,96)/t49-,50-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1" . "O=C(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)N(c1cnc(cc1c1ccccc1C)N1CCOCC1)C" . "O=C(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)N(c1cnc(cc1c1ccccc1C)N1CCOCC1)C" . "ZGNPLCMMVKCTHM-UHFFFAOYSA-N" . "InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3" . "Fc1ccc(c(c1)C)C1CC(CCN1C(=O)N(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C" . "Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C" . "XGGTZCKQRWXCHW-WMTVXVAQSA-N" . "InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1" . "O=C(N(C1CCCCC1)C)CCCOc1ccc2c(c1)ccc(=O)[nH]2" . "O=C(N(C1CCCCC1)C)CCCOc1ccc2c(c1)ccc(=O)[nH]2" . "UIAYVIIHMORPSJ-UHFFFAOYSA-N" . "InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)" . "Fc1ccc(c(c1)C)C1CNCCN1C(=O)N(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C" . "Fc1ccc(c(c1)C)[C@H]1CNCCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C" . "SBBYBXSFWOLDDG-JLTOFOAXSA-N" . "InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O" . "RZRNAYUHWVFMIP-KTKRTIGZSA-N" . "InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-" . "N#Cc1ccc(c(c1)Cl)Nc1ncnc(c1C)OC1CC2CCC(C1)N2S(=O)(=O)C1CC1" . "N#Cc1ccc(c(c1)Cl)Nc1ncnc(c1C)OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1" . "JONDVPWMQDOELC-HOTGVXAUSA-N" . "InChI=1S/C22H24ClN5O3S/c1-13-21(27-20-7-2-14(11-24)8-19(20)23)25-12-26-22(13)31-17-9-15-3-4-16(10-17)28(15)32(29,30)18-5-6-18/h2,7-8,12,15-18H,3-6,9-10H2,1H3,(H,25,26,27)/t15-,16-/m0/s1" . "O=C(Nc1c(C)cccc1C)CN1CCN(CC1)C1CCN(C(C1)Cc1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "O=C(Nc1c(C)cccc1C)CN1CCN(CC1)[C@H]1CCN([C@@H](C1)Cc1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "KHOXGPDKCIQOOR-XZWHSSHBSA-N" . "InChI=1S/C35H38F6N4O2/c1-23-7-6-8-24(2)32(23)42-31(46)22-43-13-15-44(16-14-43)29-11-12-45(30(21-29)17-25-9-4-3-5-10-25)33(47)26-18-27(34(36,37)38)20-28(19-26)35(39,40)41/h3-10,18-20,29-30H,11-17,21-22H2,1-2H3,(H,42,46)/t29-,30+/m0/s1" . "COc1ccc(cc1CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2)C(C)C" . "COc1ccc(cc1CN[C@H]1C2CCN([C@H]1C(c1ccccc1)c1ccccc1)CC2)C(C)C" . "XPNMCDYOYIKVGB-CONSDPRKSA-N" . "InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1" . "O=C(N1C2CCC1CC(C2)Oc1ncnc(c1C)Oc1cccnc1C)OC(C)(C)C" . "O=C(N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(c1C)Oc1cccnc1C)OC(C)(C)C" . "YKEGUYTXACKXKS-IRXDYDNUSA-N" . "InChI=1S/C23H30N4O4/c1-14-20(25-13-26-21(14)30-19-7-6-10-24-15(19)2)29-18-11-16-8-9-17(12-18)27(16)22(28)31-23(3,4)5/h6-7,10,13,16-18H,8-9,11-12H2,1-5H3/t16-,17-/m0/s1" . "O=C1CCC2(N1)CCC(NC2)(COC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccccc1" . "O=C1CC[C@@]2(N1)CC[C@@](NC2)(CO[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccccc1" . "FIVSJYGQAIEMOC-ZGNKEGEESA-N" . "InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1" . "Clc1cnc(nc1)N1CCC(CC1)C1CC1CCOc1ccc(cn1)S(=O)(=O)C" . "Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cn1)S(=O)(=O)C" . "XFJBGINZIMNZBW-CRAIPNDOSA-N" . "InChI=1S/C20H25ClN4O3S/c1-29(26,27)17-2-3-19(22-13-17)28-9-6-15-10-18(15)14-4-7-25(8-5-14)20-23-11-16(21)12-24-20/h2-3,11-15,18H,4-10H2,1H3/t15-,18-/m1/s1" . "C#Cc1nc(C)cc(n1)N1CCC(CC1)C1CCN(CC1)c1ncc(nc1)C" . "C#Cc1nc(C)cc(n1)N1CCC(CC1)C1CCN(CC1)c1ncc(nc1)C" . "GIKAEVLPYSTAGY-UHFFFAOYSA-N" . "InChI=1S/C22H28N6/c1-4-20-25-16(2)13-21(26-20)27-9-5-18(6-10-27)19-7-11-28(12-8-19)22-15-23-17(3)14-24-22/h1,13-15,18-19H,5-12H2,2-3H3" . "COc1ccc(cc1CNC1CCCNC1c1ccccc1)c1ccc(cc1F)C#N" . "COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)c1ccc(cc1F)C#N" . "BJOOHYLOKXAENV-AHWVRZQESA-N" . "InChI=1S/C26H26FN3O/c1-31-25-12-10-20(22-11-9-18(16-28)14-23(22)27)15-21(25)17-30-24-8-5-13-29-26(24)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,24,26,29-30H,5,8,13,17H2,1H3/t24-,26-/m0/s1" . "O=C(N1CCC(CC1)C1CCN(CC1)c1cccnc1)OC(C)(C)C" . "O=C(N1CCC(CC1)C1CCN(CC1)c1cccnc1)OC(C)(C)C" . "CRZGKAWVJIDZPZ-UHFFFAOYSA-N" . "InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-13-8-17(9-14-23)16-6-11-22(12-7-16)18-5-4-10-21-15-18/h4-5,10,15-17H,6-9,11-14H2,1-3H3" . "N#Cc1cc(cnc1N1CCC(CC1)c1onc(n1)C(C)C)c1ccc(c(c1)C)C#N" . "N#Cc1cc(cnc1N1CCC(CC1)c1onc(n1)C(C)C)c1ccc(c(c1)C)C#N" . "TXALYVIWRLTFFP-UHFFFAOYSA-N" . "InChI=1S/C24H24N6O/c1-15(2)22-28-24(31-29-22)17-6-8-30(9-7-17)23-20(13-26)11-21(14-27-23)18-4-5-19(12-25)16(3)10-18/h4-5,10-11,14-15,17H,6-9H2,1-3H3" . "N#Cc1cc(cnc1N1CCN(CC1)C(=O)OC(C)C)c1ccc2c(c1)nccn2" . "N#Cc1cc(cnc1N1CCN(CC1)C(=O)OC(C)C)c1ccc2c(c1)nccn2" . "UVINGSLSDLUGKX-UHFFFAOYSA-N" . "InChI=1S/C22H22N6O2/c1-15(2)30-22(29)28-9-7-27(8-10-28)21-17(13-23)11-18(14-26-21)16-3-4-19-20(12-16)25-6-5-24-19/h3-6,11-12,14-15H,7-10H2,1-2H3" . "CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C" . "CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C" . "WAXQNWCZJDTGBU-UHFFFAOYSA-N" . "InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3" . "O=C(N1CCC(CC1)Oc1ncnc2c1onc2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Oc1ncnc2c1onc2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C" . "JYRWUSXRTGACLY-UHFFFAOYSA-N" . "InChI=1S/C22H26N4O6S/c1-22(2,3)31-21(27)26-11-9-15(10-12-26)30-20-19-18(23-13-24-20)17(25-32-19)14-5-7-16(8-6-14)33(4,28)29/h5-8,13,15H,9-12H2,1-4H3" . "O=C(N1CCC(CC1)Oc1ncnc2c1[nH]c(=O)n2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Oc1ncnc2c1[nH]c(=O)n2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "AXLNAZYMBNKFJO-UHFFFAOYSA-N" . "InChI=1S/C22H26FN5O6S/c1-22(2,3)34-21(30)27-9-7-13(8-10-27)33-19-17-18(24-12-25-19)28(20(29)26-17)16-6-5-14(11-15(16)23)35(4,31)32/h5-6,11-13H,7-10H2,1-4H3,(H,26,29)" . "O=C(N1CCC(CC1)Sc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Sc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "KRCCTTRJUJRZKA-UHFFFAOYSA-N" . "InChI=1S/C22H26FN5O4S2/c1-22(2,3)32-21(29)27-9-7-14(8-10-27)33-20-16-12-26-28(19(16)24-13-25-20)18-6-5-15(11-17(18)23)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3" . "O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "FEAQKOJMPVAIBR-UHFFFAOYSA-N" . "InChI=1S/C22H26FN5O5S/c1-22(2,3)33-21(29)27-9-7-14(8-10-27)32-20-16-12-26-28(19(16)24-13-25-20)18-6-5-15(11-17(18)23)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3" . "O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C" . "LZCNLEZPKDPKSO-UHFFFAOYSA-N" . "InChI=1S/C22H27N5O5S/c1-22(2,3)32-21(28)26-11-9-16(10-12-26)31-20-18-13-25-27(19(18)23-14-24-20)15-5-7-17(8-6-15)33(4,29)30/h5-8,13-14,16H,9-12H2,1-4H3" . "CCCCC#Cc1nc(NC)c2c(n1)n(cn2)C1OC(C(C1O)O)CO" . "CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO" . "KOCIMZNSNPOGOP-IWCJZZDYSA-N" . "InChI=1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2)12-16(21-11)22(9-19-12)17-14(25)13(24)10(8-23)26-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,18,20,21)/t10-,13-,14-,17-/m1/s1" . "N#Cc1cnccc1COc1cnc(nc1)N1CCN(CC1C)c1noc(n1)C(C)C" . "N#Cc1cnccc1COc1cnc(nc1)N1CCN(C[C@@H]1C)c1noc(n1)C(C)C" . "UNGZTVLHLKAKQE-HNNXBMFYSA-N" . "InChI=1S/C21H24N8O2/c1-14(2)19-26-21(27-31-19)28-6-7-29(15(3)12-28)20-24-10-18(11-25-20)30-13-16-4-5-23-9-17(16)8-22/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m0/s1" . "COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl" . "COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl" . "VHKBTPQDHDSBSP-UHFFFAOYSA-N" . "InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)" . "CC(c1ccc(cc1)CSc1nc(N)cc(=O)n1C)(C)C" . "CC(c1ccc(cc1)CSc1nc(N)cc(=O)n1C)(C)C" . "AJMIFZLEDTUBTN-UHFFFAOYSA-N" . "InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3" . "CCCCCN1c2ccccc2C2(C1=O)COc1c2cc2OCOc2c1" . "CCCCCN1c2ccccc2C2(C1=O)COc1c2cc2OCOc2c1" . "PHMRUZIIERITEP-UHFFFAOYSA-N" . "InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3" . "c1ccc(cc1)Cn1ccc2c1ncnc2OC1CCN(CC1)c1ccccn1" . "c1ccc(cc1)Cn1ccc2c1ncnc2OC1CCN(CC1)c1ccccn1" . "ZMRCFNOIVYNNGH-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O/c1-2-6-18(7-3-1)16-28-15-11-20-22(28)25-17-26-23(20)29-19-9-13-27(14-10-19)21-8-4-5-12-24-21/h1-8,11-12,15,17,19H,9-10,13-14,16H2" . "OCC1(O)C2OC3(OC1C1C4(C2O)C3OC1NC(=[NH2+])N4)O" . "OCC1(O)C2OC3(OC1C1C4(C2O)C3OC1NC(=[NH2+])N4)O" . "STNXQECXKDMLJK-UHFFFAOYSA-O" . "InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/p+1" . "CCC1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1" . "CCC1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1" . "RGDHRCXUMURWBJ-UHFFFAOYSA-N" . "InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,18,19)" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl" . "OVHCTHHFOHMNFV-UHFFFAOYSA-N" . "InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)" . "COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C" . "COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C" . "WPDCHTSXOPUOII-UHFFFAOYSA-N" . "InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)" . "O=C(Cc1c(F)ccc(c1F)F)NCC(C1CCN(CC1)C(=O)OC1(C)CC1)F" . "O=C(Cc1c(F)ccc(c1F)F)NC[C@H](C1CCN(CC1)C(=O)OC1(C)CC1)F" . "QCIKTRZVLCLGFT-MRXNPFEDSA-N" . "InChI=1S/C20H24F4N2O3/c1-20(6-7-20)29-19(28)26-8-4-12(5-9-26)16(23)11-25-17(27)10-13-14(21)2-3-15(22)18(13)24/h2-3,12,16H,4-11H2,1H3,(H,25,27)/t16-/m1/s1" . "OC(=O)CCCC1CCN(CC1)c1nc(nc2c1CS(=O)(=O)C2)C1CCC1" . "OC(=O)CCCC1CCN(CC1)c1nc(nc2c1CS(=O)(=O)C2)C1CCC1" . "NFFANIJTECFGGM-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O4S/c23-17(24)6-1-3-13-7-9-22(10-8-13)19-15-11-27(25,26)12-16(15)20-18(21-19)14-4-2-5-14/h13-14H,1-12H2,(H,23,24)" . "Brc1ccc(cc1)c1nc(NCCc2ccc[n+](c2)[O-])cc(n1)C" . "Brc1ccc(cc1)c1nc(NCCc2ccc[n+](c2)[O-])cc(n1)C" . "ANESWNKKPIMPNA-UHFFFAOYSA-N" . "InChI=1S/C18H17BrN4O/c1-13-11-17(20-9-8-14-3-2-10-23(24)12-14)22-18(21-13)15-4-6-16(19)7-5-15/h2-7,10-12H,8-9H2,1H3,(H,20,21,22)" . "CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)O)CO" . "CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)CO" . "ICDMLAQPOAVWNH-JRUKXMRZSA-N" . "InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m0/s1" . "CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)O)CO" . "CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)O)CO" . "ICDMLAQPOAVWNH-YHZGQTRVSA-N" . "InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9+/t25-/m1/s1" . "Fc1ccc(c(c1)F)Sc1ccc2n(n1)cnc(=O)c2c1c(Cl)cccc1Cl" . "Fc1ccc(c(c1)F)Sc1ccc2n(n1)cnc(=O)c2c1c(Cl)cccc1Cl" . "VEPKQEUBKLEPRA-UHFFFAOYSA-N" . "InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H" . "O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2" . "O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2" . "MPVGZUGXCQEXTM-UHFFFAOYSA-N" . "InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)" . "CN1CCN(CC1)c1nc(Sc2ccc(cc2)NC(=O)C2CC2)nc(c1)Nc1[nH]nc(c1)C" . "CN1CCN(CC1)c1nc(Sc2ccc(cc2)NC(=O)C2CC2)nc(c1)Nc1[nH]nc(c1)C" . "GCIKSSRWRFVXBI-UHFFFAOYSA-N" . "InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)" . "COc1cc2c(ncnc2cc1OCC1CCN(CC1)C)Nc1ccc(cc1F)Br" . "COc1cc2c(ncnc2cc1OCC1CCN(CC1)C)Nc1ccc(cc1F)Br" . "UHTHHESEBZOYNR-UHFFFAOYSA-N" . "InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)" . "Cc1cnc(nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C)Nc1ccc(cc1)OCCN1CCCC1" . "Cc1cnc(nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C)Nc1ccc(cc1)OCCN1CCCC1" . "JOOXLOJCABQBSG-UHFFFAOYSA-N" . "InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)" . "Oc1cccc(c1)c1nc2nc(N)nc(c2nc1c1cccc(c1)O)N" . "Oc1cccc(c1)c1nc2nc(N)nc(c2nc1c1cccc(c1)O)N" . "UJIAQDJKSXQLIT-UHFFFAOYSA-N" . "InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C" . "QQWUGDVOUVUTOY-UHFFFAOYSA-N" . "InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2)CC" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cc(F)cc2)CC" . "WINHZLLDWRZWRT-ATVHPVEESA-N" . "InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-" . "OC(CN1CCOCC1)CNC(=O)C1C(=NC(=C1C)C=C1C(=O)Nc2c1cc(F)cc2)C" . "O[C@H](CN1CCOCC1)CNC(=O)C1C(=NC(=C1C)/C=C/1/C(=O)Nc2c1cc(F)cc2)C" . "XWPFYHDOZULRTD-ROUJOJKSSA-N" . "InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,21,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-,21?/m0/s1" . "CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "MLDQJTXFUGDVEO-UHFFFAOYSA-N" . "InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)" . "COc1cc2c(cc1OCCCN1CCN(CC1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N" . "COc1cc2c(cc1OCCCN1CCN(CC1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N" . "UBPYILGKFZZVDX-UHFFFAOYSA-N" . "InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)" . "Cn1ncc(c1)c1ccc2n(n1)c(nn2)Sc1ccc2c(c1)cccn2" . "Cn1ncc(c1)c1ccc2n(n1)c(nn2)Sc1ccc2c(c1)cccn2" . "BCZUAADEACICHN-UHFFFAOYSA-N" . "InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3" . "OC(=O)C(Cn1oc(=O)[nH]c1=O)N" . "OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N" . "ASNFTDCKZKHJSW-REOHCLBHSA-N" . "InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1" . "COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F" . "COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F" . "JRNJNYBQQYBCLE-UHFFFAOYSA-N" . "InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)NC(=O)C(O3)(C)C)F)cc(c1OC)OC" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)NC(=O)C(O3)(C)C)F)cc(c1OC)OC" . "NHHQJBCNYHBUSI-UHFFFAOYSA-N" . "InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)" . "Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1" . "Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1" . "YCOYDOIWSSHVCK-UHFFFAOYSA-N" . "InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)" . "Oc1ccc2c(c1)cc([nH]2)c1nn(c2c1c(N)ncn2)C(C)C" . "Oc1ccc2c(c1)cc([nH]2)c1nn(c2c1c(N)ncn2)C(C)C" . "MFAQYJIYDMLAIM-UHFFFAOYSA-N" . "InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F" . "YZDJQTHVDDOVHR-UHFFFAOYSA-N" . "InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)" . "COC1C(CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O)N(C(=O)c1ccccc1)C" . "CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O)N(C(=O)c1ccccc1)C" . "BMGQWWVMWDBQGC-IIFHNQTCSA-N" . "InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1" . "Oc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)c1cccnc1o2" . "Oc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)c1cccnc1o2" . "TUVCWJQQGGETHL-UHFFFAOYSA-N" . "InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2" . "O=C1Nc2c(C1=Cc1[nH]c(c(c1C)C(=O)N1CCCC1CN1CCCC1)C)cc(cc2)S(=O)(=O)Cc1c(Cl)cccc1Cl" . "O=C1Nc2c(/C/1=C/c1[nH]c(c(c1C)C(=O)N1CCC[C@@H]1CN1CCCC1)C)cc(cc2)S(=O)(=O)Cc1c(Cl)cccc1Cl" . "OYONTEXKYJZFHA-SSHUPFPWSA-N" . "InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1" . "CSc1cccc(c1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl" . "CSc1cccc(c1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl" . "VAARYSWULJUGST-UHFFFAOYSA-N" . "InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)" . "CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C" . "CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C" . "CUIHSIWYWATEQL-UHFFFAOYSA-N" . "InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F" . "HHZIURLSWUIHRB-UHFFFAOYSA-N" . "InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)" . "Clc1ccc2c(c1)C(=NCc1c2nc(nc1)Nc1ccc(cc1)C(=O)O)c1c(F)cccc1F" . "Clc1ccc2c(c1)C(=NCc1c2nc(nc1)Nc1ccc(cc1)C(=O)O)c1c(F)cccc1F" . "HHFBDROWDBDFBR-UHFFFAOYSA-N" . "InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)" . "COc1cc2c(cc1OCCCN1CCCCC1)nccc2N1CCN(CC1)C(=O)Nc1ccc(cc1)OC(C)C" . "COc1cc2c(cc1OCCCN1CCCCC1)nccc2N1CCN(CC1)C(=O)Nc1ccc(cc1)OC(C)C" . "SGVQMZVRLBDVCF-UHFFFAOYSA-N" . "InChI=1S/C32H43N5O4/c1-24(2)41-26-10-8-25(9-11-26)34-32(38)37-19-17-36(18-20-37)29-12-13-33-28-23-31(30(39-3)22-27(28)29)40-21-7-16-35-14-5-4-6-15-35/h8-13,22-24H,4-7,14-21H2,1-3H3,(H,34,38)" . "COc1c(Cl)cc2c(c1NC(=O)c1cccnc1C)[nH]c1c2ccnc1" . "COc1c(Cl)cc2c(c1NC(=O)c1cccnc1C)[nH]c1c2ccnc1" . "ZNOLRTPMNMPLHY-UHFFFAOYSA-N" . "InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)" . "O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C" . "O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C" . "AXRCEOKUDYDWLF-UHFFFAOYSA-N" . "InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)" . "Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C" . "Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C" . "BCFGMOOMADDAQU-UHFFFAOYSA-N" . "InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)" . "O=C(c1ccc(cc1)C=Cc1[nH]nc2c1cccc2)N1CCNCC1" . "O=C(c1ccc(cc1)/C=C/c1[nH]nc2c1cccc2)N1CCNCC1" . "YYLKKYCXAOBSRM-JXMROGBWSA-N" . "InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+" . "COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC" . "COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC" . "SHPFDGWALWEPGS-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)" . "N#Cc1c[nH]c(n1)C(=O)Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)CN(C)C" . "N#Cc1c[nH]c(n1)C(=O)Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)CN(C)C" . "GUBJNPWVIUFSTR-UHFFFAOYSA-N" . "InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)" . "CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C" . "CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C" . "KTUFNOKKBVMGRW-UHFFFAOYSA-N" . "InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)" . "CCOc1cc2ncc(c(c2cc1NC(=O)C=CCN(C)C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N" . "CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N" . "JWNPDZNEKVCWMY-VQHVLOKHSA-N" . "InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+" . "COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N" . "COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N" . "MYQAUKPBNJWPIE-UHFFFAOYSA-N" . "InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)" . "CN1CCN(CC1)Cc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)OC(c1ccccc1C(F)(F)F)C" . "CN1CCN(CC1)Cc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1C(F)(F)F)C" . "ZHJGWYRLJUCMRT-QGZVFWFLSA-N" . "InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1" . "CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2" . "CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2" . "HZTYDQRUAWIZRE-UHFFFAOYSA-N" . "InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)" . "CS(=O)(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1" . "CS(=O)(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1" . "LHNIIDJUOCFXAP-UHFFFAOYSA-N" . "InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)" . "OCCn1cc(c(n1)c1ccncc1)c1ccc2c(c1)CCC2=NO" . "OCCn1cc(c(n1)c1ccncc1)c1ccc2c(c1)CC/C/2=N/O" . "DEZZLWQELQORIU-RELWKKBWSA-N" . "InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+" . "CN1CCC(C(C1)O)c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O" . "CN1CC[C@@H]([C@@H](C1)O)c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O" . "BIIVYFLTOXDAOV-YVEFUNNKSA-N" . "InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "CXQHYVUVSFXTMY-UHFFFAOYSA-N" . "InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)" . "OC(=O)CCC(C(=O)O)N" . "OC(=O)CC[C@@H](C(=O)O)N" . "WHUUTDBJXJRKMK-VKHMYHEASA-N" . "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1" . "OCCN1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl" . "OCCN1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl" . "ZBNZXTGUTAYRHI-UHFFFAOYSA-N" . "InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)" . "N#CCC(=O)N1CCC(C(C1)N(c1ncnc2c1cc[nH]2)C)C" . "N#CCC(=O)N1CC[C@H]([C@H](C1)N(c1ncnc2c1cc[nH]2)C)C" . "UJLAWZDWDVHWOW-YPMHNXCESA-N" . "InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1" . "Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)NOCC1CC1" . "Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)NOCC1CC1" . "GFMMXOIFOQCCGU-UHFFFAOYSA-N" . "InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)" . "C=CC(=O)Nc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F" . "C=CC(=O)Nc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F" . "OMZCMEYTWSXEPZ-UHFFFAOYSA-N" . "InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)" . "Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2c1ccc(c2)Oc1ccnc(c1)c1[nH]cc(n1)C(F)(F)F" . "Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2c1ccc(c2)Oc1ccnc(c1)c1[nH]cc(n1)C(F)(F)F" . "YABJJWZLRMPFSI-UHFFFAOYSA-N" . "InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)" . "OCC1(O)CC2OC1(C)n1c3c4n2c2ccccc2c4c2c(c3c3c1cccc3)CNC2=O" . "OC[C@@]1(O)C[C@H]2O[C@]1(C)n1c3c4n2c2ccccc2c4c2c(c3c3c1cccc3)CNC2=O" . "UIARLYUEJFELEN-LROUJFHJSA-N" . "InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1" . "CC(COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O" . "C[C@H](COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O" . "WCWUXEGQKLTGDX-LLVKDONJSA-N" . "InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1" . "O=C(C1CCNCC1)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C" . "O=C(C1CCNCC1)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C" . "OUSFTKFNBAZUKL-UHFFFAOYSA-N" . "InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)" . "NCCNc1nc2ccc(cc2n2c1ncc2C)C" . "NCCNc1nc2ccc(cc2n2c1ncc2C)C" . "PSPFQEBFYXJZEV-UHFFFAOYSA-N" . "InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)" . "O=C(Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)Nc1ccc(c2c1cccc2)OCCN1CCOCC1" . "O=C(Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)Nc1ccc(c2c1cccc2)OCCN1CCOCC1" . "MVCOAUNKQVWQHZ-UHFFFAOYSA-N" . "InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)" . "CN(CC=CC(=O)Nc1cc2c(ncnc2cc1OC1COCC1)Nc1ccc(c(c1)Cl)F)C" . "CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)C" . "ULXXDDBFHOBEHA-CWDCEQMOSA-N" . "InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1" . "CCC1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C" . "CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C" . "XQVVPGYIWAGRNI-JOCHJYFZSA-N" . "InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1" . "OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F" . "OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F" . "CYOHGALHFOKKQC-UHFFFAOYSA-N" . "InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)" . "COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C" . "COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C" . "XXJWYDDUDKYVKI-UHFFFAOYSA-N" . "InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3" . "OCCN(CCCOc1ccc2c(c1)ncnc2Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1)F)CC" . "OCCN(CCCOc1ccc2c(c1)ncnc2Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1)F)CC" . "QYZOGCMHVIGURT-UHFFFAOYSA-N" . "InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)" . "O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1" . "O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1" . "OVPNQJVDAFNBDN-UHFFFAOYSA-N" . "InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC" . "ODPGGGTTYSGTGO-UHFFFAOYSA-N" . "InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)" . "O=C(c1cccnc1NCc1ccncc1)Nc1ccc2c(c1)NCC2(C)C" . "O=C(c1cccnc1NCc1ccncc1)Nc1ccc2c(c1)NCC2(C)C" . "RAHBGWKEPAQNFF-UHFFFAOYSA-N" . "InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)" . "CNC(=O)c1ccccc1Sc1ccc2c(c1)[nH]nc2C=Cc1ccccn1" . "CNC(=O)c1ccccc1Sc1ccc2c(c1)[nH]nc2/C=C/c1ccccn1" . "RITAVMQDGBJQJZ-FMIVXFBMSA-N" . "InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+" . "O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1" . "O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1" . "CVWXJKQAOSCOAB-UHFFFAOYSA-N" . "InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)" . "CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1scc(n1)c1cccnc1)C" . "CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1scc(n1)c1cccnc1)C" . "WJEOLQLKVOPQFV-UHFFFAOYSA-N" . "InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)" . "NC(Cc1ccccc1)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2" . "N[C@@H](Cc1ccccc1)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2" . "BPNUQXPIQBZCMR-IBGZPJMESA-N" . "InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C)C)C)CC(C)C)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CCCN=C(N)N)CCC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N " . "CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O" . "QMXYKUFZQPEQES-UZSBMYCGSA-N" . "InChI=1S/C64H109N19O17/c1-32(2)27-40(66)54(90)76-42(20-16-26-71-64(69)70)55(91)78-44(22-24-50(68)86)58(94)82-47(30-39-17-12-11-13-18-39)61(97)80-46(29-34(5)6)60(96)79-43(21-23-49(67)85)57(93)77-41(19-14-15-25-65)56(92)83-48(31-84)62(98)81-45(28-33(3)4)59(95)74-37(9)52(88)72-35(7)51(87)73-36(8)53(89)75-38(10)63(99)100/h11-13,17-18,32-38,40-48,84H,14-16,19-31,65-66H2,1-10H3,(H2,67,85)(H2,68,86)(H,72,88)(H,73,87)(H,74,95)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,96)(H,80,97)(H,81,98)(H,82,94)(H,83,92)(H,99,100)(H4,69,70,71)/t35-,36-,37-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1" . "O=N(=O)c1c(ncnc1N1CCC(CC1)c1onc(n1)C(C)C)Nc1ccc(cc1F)S(=O)(=O)C" . "O=N(=O)c1c(ncnc1N1CCC(CC1)c1onc(n1)C(C)C)Nc1ccc(cc1F)S(=O)(=O)C" . "DGBKNTVAKIFYNU-UHFFFAOYSA-N" . "InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)" . "[O-]P(=O)(OCCN)OCC(COC(=O)C)O" . "[O-]P(=O)(OCCN)OC[C@@H](COC(=O)C)O" . "CWRILEGKIAOYKP-SSDOTTSWSA-M" . "InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p-1/t7-/m1/s1" . "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O" . "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O" . "IHNKQIMGVNPMTC-RUZDIDTESA-N" . "InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O" . "CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])O" . "ASWBNKHCZGQVJV-QHCPKHFHSA-N" . "InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m0/s1" . "NC(C1CC1C(=O)O)C(=O)O" . "N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O" . "GZOVEPYOCJWRFC-HZLVTQRSSA-N" . "InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1" . "CNC(=O)C12CC2C(C(C1O)O)n1cnc2c1ncnc2NCc1cccc(c1C#CCCCC(=O)O)Cl" . "CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1C#CCCCC(=O)O)Cl" . "CYQQUPOETXXUCK-CSTWGOEFSA-N" . "InChI=1S/C26H27ClN6O5/c1-28-25(38)26-10-16(26)20(21(36)22(26)37)33-13-32-19-23(30-12-31-24(19)33)29-11-14-6-5-8-17(27)15(14)7-3-2-4-9-18(34)35/h5-6,8,12-13,16,20-22,36-37H,2,4,9-11H2,1H3,(H,28,38)(H,34,35)(H,29,30,31)/t16-,20-,21+,22+,26+/m1/s1" . "OC(CC(CC(=O)O)(O)C)CCCCOP(=O)(OP(=O)(OCC=C(CCC=C(C)C)C)O)O" . "OC(CC(CC(=O)O)(O)C)CCCCOP(=O)(OP(=O)(OC/C=C(/CCC=C(C)C)/C)O)O" . "PMUQIJKCGIYWGT-GZTJUZNOSA-N" . "InChI=1S/C20H38O11P2/c1-16(2)8-7-9-17(3)11-13-30-33(27,28)31-32(25,26)29-12-6-5-10-18(21)14-20(4,24)15-19(22)23/h8,11,18,21,24H,5-7,9-10,12-15H2,1-4H3,(H,22,23)(H,25,26)(H,27,28)/b17-11+" . "CCC1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1" . "CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1" . "RGDHRCXUMURWBJ-LLVKDONJSA-N" . "InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,18,19)/t11-/m1/s1" . "CCC1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C" . "CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C" . "YYDHUJWLNPIBDS-MRVPVSSYSA-N" . "InChI=1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8H,3,6H2,1-2H3,(H,21,22)/t8-/m1/s1" . "CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br" . "CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br" . "GYGNZJDWTHECQT-UHFFFAOYSA-N" . "InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6H,2,7-9H2,1H3,(H,19,20)" . "n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1" . "n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1" . "YRPIMMMBNUUYLG-UHFFFAOYSA-N" . "InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C" . "IKIXRBGOWUFFBN-UHFFFAOYSA-N" . "InChI=1S/C24H22F3N7O3/c1-3-10-33-20-18(22(36)34(23(33)37)15-6-7-15)30-19(31-20)13-5-9-17(29-11-13)32(2)21(35)14-4-8-16(28-12-14)24(25,26)27/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,30,31)" . "CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F" . "CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F" . "KOYXXLLNCXWUNF-UHFFFAOYSA-N" . "InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)" . "COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1" . "COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1" . "DTYWJKSSUANMHD-UHFFFAOYSA-N" . "InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)" . "CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1" . "CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1" . "CYYQMAWUIRPCNW-UHFFFAOYSA-N" . "InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)" . "Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N" . "Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N" . "HQSBCDPYXDGTCL-UHFFFAOYSA-N" . "InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)" . "COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1" . "COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1" . "XNBRWUQWSKXMPW-UHFFFAOYSA-N" . "InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)" . "OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)C=Cc1cccc(c1)OC" . "OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC" . "FWLDDFYHEQMIGG-MDZDMXLPSA-N" . "InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+" . "Clc1cccc(c1)C=Cc1nc2c(n1C)c(=O)n(c(=O)n2C)C" . "Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C" . "WBWFIUAVMCNYPG-BQYQJAHWSA-N" . "InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+" . "COc1cc(C=Cc2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC" . "COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC" . "IQVRBWUUXZMOPW-PKNBQFBNSA-N" . "InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+" . "C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1" . "C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1" . "DXBBMCIVYYJMJC-UHFFFAOYSA-N" . "InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)" . "OCCC1CCCCN1C(=O)C=Cc1c(nn2c1cccc2)c1ccccc1" . "OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1" . "OPLOPFHUHFGKMJ-JXOMPUQVSA-N" . "InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O" . "ZWTVVWUOTJRXKM-UHFFFAOYSA-N" . "InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3" . "PJBFVWGQFLYWCB-UHFFFAOYSA-N" . "InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)" . "FCCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1" . "[18F]CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1" . "GGGMDKJPUXTDAW-SJPDSGJFSA-N" . "InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)/i17-1" . "CNC(=O)C12CC2C(C(C1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl" . "CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl" . "GAYWHRPOIWFKIF-DDDALXFXSA-N" . "InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1" . "CNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2NC" . "CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2NC" . "PAFSPMXSTBOTSN-KSVNGYGVSA-N" . "InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1" . "CCCCC#Cc1nc(NC)c2c(n1)n(cn2)C1OC(C(C1O)O)CO" . "CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO" . "KOCIMZNSNPOGOP-IWCJZZDYSA-N" . "InChI=1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2)12-16(21-11)22(9-19-12)17-14(25)13(24)10(8-23)26-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,18,20,21)/t10-,13-,14-,17-/m1/s1" . "CNC(=O)C1OC(C(C1N)O)n1cnc2c1ncnc2NCc1cc(Cl)ccc1COc1onc(c1)C" . "CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1N)O)n1cnc2c1ncnc2NCc1cc(Cl)ccc1COc1onc(c1)C" . "KXDJDMIUJGBFAV-QYUDBREXSA-N" . "InChI=1S/C23H25ClN8O5/c1-11-5-15(37-31-11)35-8-12-3-4-14(24)6-13(12)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC" . "LZPZPHGJDAGEJZ-AKAIJSEGSA-N" . "InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(NN=CC1CCCCC1)nc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N" . "XJFMHMFFBSOEPR-DNZQAUTHSA-N" . "InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1" . "COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)C(=O)NC1CC1" . "COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NC1CC1" . "SQJXTUJMBYVDBB-RQXXJAGISA-N" . "InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1" . "OC1C(O)C(OC1n1cnc2c1ncnc2NC1CCCC1O)CSc1ccccc1F" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N[C@@H]1CCC[C@H]1O)CSc1ccccc1F" . "IZRXENCTXNMAMI-DIJFLQFKSA-N" . "InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1COCC1" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1COCC1" . "OESBDSFYJMDRJY-BAYCTPFLSA-N" . "InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1" . "OCC1OC(C(C1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1" . "OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1" . "MMPAUXMIDJWGFO-ROMFRFKVSA-N" . "InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1" . "Fc1ccc(cc1)N1CCN(CC1)CCCN1c2cccc3c2c(S1(=O)=O)ccc3" . "Fc1ccc(cc1)N1CCN(CC1)CCCN1c2cccc3c2c(S1(=O)=O)ccc3" . "VGIGHGMPMUCLIQ-UHFFFAOYSA-N" . "InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2" . "OCC1OC(C(C1O)O)n1cnc2c1nc(NN=NC(=O)Nc1ccccc1)nc2NC1CCCC1" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=N/C(=O)Nc1ccccc1)nc2NC1CCCC1" . "RZJAODYQRFMAKN-WVSUBDOOSA-N" . "InChI=1S/C22H27N9O5/c32-10-14-16(33)17(34)20(36-14)31-11-23-15-18(24-12-8-4-5-9-12)26-21(27-19(15)31)28-30-29-22(35)25-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,32-34H,4-5,8-10H2,(H3,24,25,26,27,28,29,35)/t14-,16-,17-,20-/m1/s1" . "COc1cc(C)c(c(c1CC=C(CCC=C(CCC=C(C)C)C)C)O)C(=O)O" . "COc1cc(C)c(c(c1C/C=C(/CC/C=C(/CCC=C(C)C)/C)/C)O)C(=O)O" . "ARZABMWMUVWDJX-OUBUNXTGSA-N" . "InChI=1S/C24H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-20-21(28-6)15-19(5)22(23(20)25)24(26)27/h9,11,13,15,25H,7-8,10,12,14H2,1-6H3,(H,26,27)/b17-11+,18-13+" . "CC(=CCc1c(O)cc(c(c1O)C(=O)O)C)CCC=C(CCC=C(C)C)C" . "C/C(=C/Cc1c(O)cc(c(c1O)C(=O)O)C)/CC/C=C(/CCC=C(C)C)/C" . "QPIZDZGIXDKCRC-JTCWOHKRSA-N" . "InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-20(24)14-18(5)21(22(19)25)23(26)27/h8,10,12,14,24-25H,6-7,9,11,13H2,1-5H3,(H,26,27)/b16-10+,17-12+" . "OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1" . "OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1" . "WQXHZCYCKCQFQP-UHFFFAOYSA-N" . "InChI=1S/C23H24N2O3/c26-23(27)11-6-7-19-12-14-21(15-13-19)28-18-17-25(20-8-2-1-3-9-20)22-10-4-5-16-24-22/h1-5,8-10,12-16H,6-7,11,17-18H2,(H,26,27)" . "CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC" . "CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC" . "AOMXMOCNKJTRQP-UHFFFAOYSA-N" . "InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)" . "CCCCCCCCCCC(=O)O" . "CCCCCCCCCCC(=O)O" . "ZDPHROOEEOARMN-UHFFFAOYSA-N" . "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)C1CC(=O)NC(=O)N1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "MEUCPCLKGZSHTA-XYAYPHGZSA-N" . "InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1" . "Cc1cc(C)cc(c1)c1[nH]c2c(c1C(CNCCc1ccncc1)C)cc(cc2)C(C(=O)N1CC2CCC1CC2)(C)C" . "Cc1cc(C)cc(c1)c1[nH]c2c(c1[C@@H](CNCCc1ccncc1)C)cc(cc2)C(C(=O)N1CC2CCC1CC2)(C)C" . "GGVFLXSCFPVLMS-WPCLDFDBSA-N" . "InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1" . "CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C" . "CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C" . "AVEVJMZJJJDOCI-UHFFFAOYSA-N" . "InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)" . "CCNC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(nc(c1C=O)OC)c1ccccc1)CC(C)C" . "CCNC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(nc(c1C=O)OC)c1ccccc1)CC(C)C" . "QTOZBSNPDCWHPV-UHFFFAOYSA-N" . "InChI=1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O" . "PVHLMTREZMEJCG-GDTLVBQBSA-N" . "InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1" . "OC(=O)C(Cc1c[nH]c2c1ccc(c2)F)N" . "OC(=O)C(Cc1c[nH]c2c1ccc(c2)F)N" . "YMEXGEAJNZRQEH-UHFFFAOYSA-N" . "InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)" . "O=C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)[O-]" . "O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-]" . "CZWCKYRVOZZJNM-USOAJAOKSA-M" . "InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1" . "COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC" . "COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC" . "RFNBEBPVKCJZPV-UHFFFAOYSA-N" . "InChI=1S/C19H25NO6/c1-24-18-6-3-13(9-19(18)25-2)7-8-20-11-14(21)12-26-15-4-5-16(22)17(23)10-15/h3-6,9-10,14,20-23H,7-8,11-12H2,1-2H3" . "CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C" . "CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C" . "YNZFFALZMRAPHQ-UHFFFAOYSA-N" . "InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3" . "CCCCCCC(c1ccc(c(c1)O)C1CC(O)CC2C1CC(CO)CC2)(C)C" . "CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)C[C@H]2[C@H]1C[C@@H](CO)CC2)(C)C" . "ZAELPWSCABXXAB-NWXGMGMZSA-N" . "InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m0/s1" . "CCCCCC=CC=CC(CCCCCCCC(=O)O)O" . "CCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)O)O" . "NPDSHTNEKLQQIJ-UINYOVNOSA-N" . "InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1" . "CCCCCCCCCC(=O)O" . "CCCCCCCCCC(=O)O" . "GHVNFZFCNZKVNT-UHFFFAOYSA-N" . "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" . "O=C(c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)N1CCN(CC1)c1cccc(c1C)C" . "O=C(c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)N1CCN(CC1)c1cccc(c1C)C" . "VRSJAHQGJHDACS-UHFFFAOYSA-N" . "InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3" . "COc1ccc2c(c1)n1c(SCC(=O)Nc3scc(n3)c3ccc(cc3)F)nnc1c(c2)C" . "COc1ccc2c(c1)n1c(SCC(=O)Nc3scc(n3)c3ccc(cc3)F)nnc1c(c2)C" . "NQAXYXKWUOWLNN-UHFFFAOYSA-N" . "InChI=1S/C23H18FN5O2S2/c1-13-9-15-5-8-17(31-2)10-19(15)29-21(13)27-28-23(29)33-12-20(30)26-22-25-18(11-32-22)14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3,(H,25,26,30)" . "COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C" . "COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C" . "XOMQERYBMDFBAG-SFQUDFHCSA-N" . "InChI=1S/C24H23N3O4S2/c1-27(20-9-4-3-5-10-20)33(29,30)21-15-13-19(14-16-21)25-24(32)26-23(28)17-12-18-8-6-7-11-22(18)31-2/h3-17H,1-2H3,(H2,25,26,28,32)/b17-12+" . "COC(c1ccc(c(c1)F)N1CCN(CC1)C(=O)c1cc(ccc1c1ccc(cc1)F)S(=O)(=O)C)C" . "COC(c1ccc(c(c1)F)N1CCN(CC1)C(=O)c1cc(ccc1c1ccc(cc1)F)S(=O)(=O)C)C" . "JQXZHDOSMUZLML-UHFFFAOYSA-N" . "InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3" . "Fc1ccc(cc1)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)N)S(=O)(=O)C" . "Fc1ccc(cc1)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)N)S(=O)(=O)C" . "DAPKZHQMEQRNPY-UHFFFAOYSA-N" . "InChI=1S/C24H23F2N3O3S/c1-33(31,32)19-7-8-20(16-2-4-17(25)5-3-16)21(15-19)24(30)29-12-10-28(11-13-29)23-9-6-18(27)14-22(23)26/h2-9,14-15H,10-13,27H2,1H3" . "Clc1ccc(c(c1)Cl)n1nc(c(c1c1ccc(cc1)c1ccc(cc1)CCCNC(=O)c1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C)C)C(=O)NN1CCCCC1" . "Clc1ccc(c(c1)Cl)n1nc(c(c1c1ccc(cc1)c1ccc(cc1)CCCNC(=O)c1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C)C)C(=O)NN1CCCCC1" . "RNAPRXIZPJDYPH-UHFFFAOYSA-N" . "InChI=1S/C56H53Cl2N7O5/c1-34-51(54(67)61-64-28-7-6-8-29-64)60-65(48-26-20-40(57)31-47(48)58)52(34)38-17-15-37(16-18-38)36-13-11-35(12-14-36)10-9-27-59-53(66)39-19-23-44-43(30-39)55(68)70-56(44)45-24-21-41(62(2)3)32-49(45)69-50-33-42(63(4)5)22-25-46(50)56/h11-26,30-33H,6-10,27-29H2,1-5H3,(H,59,66)(H,61,67)" . "CCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "CCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "LJSBBBWQTLXQEN-UHFFFAOYSA-N" . "InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3" . "CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)OC)O)O)O" . "CC/C=C/C[C@@H](/C=C/C=C/C=C/C=C/[C@H]([C@H](C/C=C/CCC(=O)OC)O)O)O" . "WUKVAFWBFGABJN-ZXQGQRHTSA-N" . "InChI=1S/C23H34O5/c1-3-4-10-15-20(24)16-11-7-5-6-8-12-17-21(25)22(26)18-13-9-14-19-23(27)28-2/h4-13,16-17,20-22,24-26H,3,14-15,18-19H2,1-2H3/b7-5-,8-6+,10-4-,13-9-,16-11+,17-12+/t20-,21+,22-/m0/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCN" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCCN" . "DLHLOYYQQGSXCC-DOFZRALJSA-N" . "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-" . "CCCCCCCCC=CCCCCCCCC(=O)NCCc1ccc(c(c1)O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)NCCc1ccc(c(c1)O)O" . "QQBPLXNESPTPNU-KTKRTIGZSA-N" . "InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-" . "CCCCCCCCCCCCCC=CC(C(COC1OC(CO)C(C(C1O)O)O)N)O" . "CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)N)O" . "HHJTWTPUPVQKNA-PIIMIWFASA-N" . "InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1" . "CCCCCCC=CCCCCCCCC(=O)O" . "CCCCCC/C=C/CCCCCCCC(=O)O" . "SECPZKHBENQXJG-FPLPWBNLSA-N" . "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-" . "CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(CO)CO" . "CUJUUWXZAQHCNC-DOFZRALJSA-N" . "InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-" . "OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O" . "OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O" . "WDLRUFUQRNWCPK-UHFFFAOYSA-N" . "InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)" . "CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC" . "CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC" . "WHTVZRBIWZFKQO-UHFFFAOYSA-N" . "InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)" . "CCCCCCCCCCCC(=O)O" . "CCCCCCCCCCCC(=O)O" . "POULHZVOKOAJMA-UHFFFAOYSA-N" . "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" . "CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC" . "CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC" . "DXEVTBAWIGXNAW-UHFFFAOYSA-N" . "InChI=1S/C32H45N3O3/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3" . "CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2C(C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1" . "CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1" . "MZUNJRMUTJBHGB-LJAQVGFWSA-N" . "InChI=1S/C32H42N6O2/c1-21(2)29-31(39)35-26-13-12-24(33-23-9-6-4-5-7-10-23)20-25(26)30-34-27-19-22(11-14-28(27)38(29)30)32(40)37-16-8-15-36(3)17-18-37/h11-14,19-21,23,29,33H,4-10,15-18H2,1-3H3,(H,35,39)/t29-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CCC(=O)O)C(O)C)CCCN=C(N)N)C(C)C)CC(C)C)CC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CC(=O)O)CCCCN)C(CC)C)CCCN=C(N)N)CCC(=O)N)C(C)C)C(CC)C)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)CC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CO)CCCCN)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)Cc1ccccc1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCC(=O)O)[C@H](O)C)CCCN=C(N)N)C(C)C)CC(C)C)CC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CC(=O)O)CCCCN)[C@H](CC)C)CCCN=C(N)N)CCC(=O)N)C(C)C)[C@H](CC)C)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C)CC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CO)CCCCN)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)Cc1ccccc1" . "POIUWJQBRNEFGX-XAMSXPGMSA-N" . "InChI=1S/C205H340N60O53/c1-20-114(16)162(261-179(296)128(66-40-46-86-211)235-176(293)135(74-78-155(273)274)243-170(287)125(63-37-43-83-208)241-192(309)148(106-266)257-174(291)126(64-38-44-84-209)234-171(288)129(67-47-87-225-201(215)216)240-185(302)142(98-119-55-29-24-30-56-119)252-187(304)144(100-121-59-33-26-34-60-121)253-189(306)146(102-158(279)280)233-154(272)104-230-167(284)138(94-109(6)7)248-166(283)122(212)93-108(4)5)194(311)231-105-153(271)232-123(61-35-41-81-206)168(285)242-136(75-79-156(275)276)177(294)251-141(97-118-53-27-23-28-54-118)184(301)238-124(62-36-42-82-207)169(286)236-131(69-49-89-227-203(219)220)181(298)263-164(116(18)22-3)197(314)259-160(112(12)13)195(312)246-134(73-77-151(213)269)175(292)237-132(70-50-90-228-204(221)222)180(297)262-163(115(17)21-2)196(313)245-127(65-39-45-85-210)172(289)256-147(103-159(281)282)190(307)254-143(99-120-57-31-25-32-58-120)186(303)249-139(95-110(8)9)183(300)239-130(68-48-88-226-202(217)218)173(290)255-145(101-152(214)270)188(305)250-140(96-111(10)11)191(308)260-161(113(14)15)199(316)265-92-52-72-150(265)193(310)244-133(71-51-91-229-205(223)224)182(299)264-165(117(19)268)198(315)247-137(76-80-157(277)278)178(295)258-149(107-267)200(317)318/h23-34,53-60,108-117,122-150,160-165,266-268H,20-22,35-52,61-107,206-212H2,1-19H3,(H2,213,269)(H2,214,270)(H,230,284)(H,231,311)(H,232,271)(H,233,272)(H,234,288)(H,235,293)(H,236,286)(H,237,292)(H,238,301)(H,239,300)(H,240,302)(H,241,309)(H,242,285)(H,243,287)(H,244,310)(H,245,313)(H,246,312)(H,247,315)(H,248,283)(H,249,303)(H,250,305)(H,251,294)(H,252,304)(H,253,306)(H,254,307)(H,255,290)(H,256,289)(H,257,291)(H,258,295)(H,259,314)(H,260,308)(H,261,296)(H,262,297)(H,263,298)(H,264,299)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,317,318)(H4,215,216,225)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t114-,115-,116-,117+,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,160-,161-,162-,163-,164-,165-/m0/s1" . "CCCCCc1cc(O)cc(c1C1C=C(C)CCC1C(=C)C)O" . "CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O" . "YWEZXUNAYVCODW-RBUKOAKNSA-N" . "InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1" . "CC1=CC(C(CC1)C(=C)C)c1c(C)cc(cc1O)O" . "CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(C)cc(cc1O)O" . "KDZOUSULXZNDJH-LSDHHAIUSA-N" . "InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1" . "O=C(N1CCC(CC1)c1nc(=O)c2c([nH]1)n(nn2)Cc1ccccc1Cl)Nc1ccc(cc1)C(F)(F)F" . "O=C(N1CCC(CC1)c1nc(=O)c2c([nH]1)n(nn2)Cc1ccccc1Cl)Nc1ccc(cc1)C(F)(F)F" . "SKWHAHNDWJREJG-UHFFFAOYSA-N" . "InChI=1S/C24H21ClF3N7O2/c25-18-4-2-1-3-15(18)13-35-21-19(32-33-35)22(36)31-20(30-21)14-9-11-34(12-10-14)23(37)29-17-7-5-16(6-8-17)24(26,27)28/h1-8,14H,9-13H2,(H,29,37)(H,30,31,36)" . "CCN(C)C" . "CCN(C)C" . "DAZXVJBJRMWXJP-UHFFFAOYSA-N" . "InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3" . "CN1CCCCC1" . "CN1CCCCC1" . "PAMIQIKDUOTOBW-UHFFFAOYSA-N" . "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" . "CN(C)C" . "CN(C)C" . "GETQZCLCWQTVFV-UHFFFAOYSA-N" . "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" . "COc1ccc(cc1)N(C(c1ccc(cc1)F)C(=O)NCC1CCCO1)C(=O)Cn1nnc2c1cccc2" . "COc1ccc(cc1)N(C(c1ccc(cc1)F)C(=O)NCC1CCCO1)C(=O)Cn1nnc2c1cccc2" . "HIWKGPKZDUQDKF-UHFFFAOYSA-N" . "InChI=1S/C28H28FN5O4/c1-37-22-14-12-21(13-15-22)34(26(35)18-33-25-7-3-2-6-24(25)31-32-33)27(19-8-10-20(29)11-9-19)28(36)30-17-23-5-4-16-38-23/h2-3,6-15,23,27H,4-5,16-18H2,1H3,(H,30,36)" . "COc1ccc(cc1)CNC(=O)C(N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)c1ccc(cc1)O" . "COc1ccc(cc1)CNC(=O)C(N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)c1ccc(cc1)O" . "TVONKIFIPYRNRD-UHFFFAOYSA-N" . "InChI=1S/C26H25N5O6S/c1-36-18-10-4-15(5-11-18)13-29-25(34)22(16-6-8-17(32)9-7-16)31(14-19-3-2-12-37-19)26(35)23-20(27)21(24(28)33)30-38-23/h2-12,22,32H,13-14,27H2,1H3,(H2,28,33)(H,29,34)" . "COCCn1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N(Cc1ccccc1)CCc1ccccc1" . "COCCn1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N(Cc1ccccc1)CCc1ccccc1" . "JKKKHIBCTKIWFJ-UHFFFAOYSA-N" . "InChI=1S/C30H32N6O3/c1-38-18-17-36-29(32-33-34-36)28(26-20-24-19-25(39-2)13-14-27(24)31-30(26)37)35(21-23-11-7-4-8-12-23)16-15-22-9-5-3-6-10-22/h3-14,19-20,28H,15-18,21H2,1-2H3,(H,31,37)" . "COc1ccc(cc1)n1c(nnc1c1ccccc1OC)SC(C(=O)Nc1ccccc1)C" . "COc1ccc(cc1)n1c(nnc1c1ccccc1OC)SC(C(=O)Nc1ccccc1)C" . "KGGHSILNBGUJEN-UHFFFAOYSA-N" . "InChI=1S/C25H24N4O3S/c1-17(24(30)26-18-9-5-4-6-10-18)33-25-28-27-23(21-11-7-8-12-22(21)32-3)29(25)19-13-15-20(31-2)16-14-19/h4-17H,1-3H3,(H,26,30)" . "O=C(NCCCCc1nnc(o1)c1ccc(c(c1)Cl)OC(F)(F)F)CCCc1ccc2c(n1)nccc2" . "O=C(NCCCCc1nnc(o1)c1ccc(c(c1)Cl)OC(F)(F)F)CCCc1ccc2c(n1)nccc2" . "RCSBCWXPGSPJNF-UHFFFAOYSA-N" . "InChI=1S/C25H23ClF3N5O3/c26-19-15-17(10-12-20(19)37-25(27,28)29)24-34-33-22(36-24)8-1-2-13-30-21(35)7-3-6-18-11-9-16-5-4-14-31-23(16)32-18/h4-5,9-12,14-15H,1-3,6-8,13H2,(H,30,35)" . "O=C(NCc1onc(c1)c1ccc(c(c1)C(F)(F)F)F)CCCc1ccc2c(n1)nccc2" . "O=C(NCc1onc(c1)c1ccc(c(c1)C(F)(F)F)F)CCCc1ccc2c(n1)nccc2" . "SWKGPCNQBPGWNX-UHFFFAOYSA-N" . "InChI=1S/C23H18F4N4O2/c24-19-9-7-15(11-18(19)23(25,26)27)20-12-17(33-31-20)13-29-21(32)5-1-4-16-8-6-14-3-2-10-28-22(14)30-16/h2-3,6-12H,1,4-5,13H2,(H,29,32)" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)O" . "MHUWZNTUIIFHAS-CLFAGFIQSA-N" . "InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-" . "NCC(c1ccccc1)C" . "NCC(c1ccccc1)C" . "AXORVIZLPOGIRG-UHFFFAOYSA-N" . "InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3" . "CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O" . "CCCCC/C=C/C[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)O" . "ZNHVWPKMFKADKW-LQWMCKPYSA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1" . "NC1CCCCC1" . "NC1CCCCC1" . "PAFZNILMFXTMIY-UHFFFAOYSA-N" . "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" . "NCCC(C)C" . "NCCC(C)C" . "BMFVGAAISNGQNM-UHFFFAOYSA-N" . "InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3" . "OC1CC(OC1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O" . "O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O" . "NHVNXKFIZYSCEB-XLPZGREQSA-N" . "InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1" . "O=C1Oc2c(C1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C" . "O=C1Oc2c([C@@]1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C" . "RVNOANDLZIIFHB-INIZCTEOSA-N" . "InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1" . "Cc1ncc(c(n1)NC1CC2CC1CC2)c1ccc(cc1)C(F)(F)F" . "Cc1ncc(c(n1)N[C@@H]1C[C@@H]2C[C@H]1CC2)c1ccc(cc1)C(F)(F)F" . "ADHZHPOKTRHZGT-DXCKQFNASA-N" . "InChI=1S/C19H20F3N3/c1-11-23-10-16(13-4-6-15(7-5-13)19(20,21)22)18(24-11)25-17-9-12-2-3-14(17)8-12/h4-7,10,12,14,17H,2-3,8-9H2,1H3,(H,23,24,25)/t12-,14+,17+/m0/s1" . "BrCCN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)C1(O)OCCN(C1)CCBr" . "BrCCN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)C1(O)OCCN(C1)CCBr" . "DEHLWSSPVQFNBM-UHFFFAOYSA-N" . "InChI=1S/C24H30Br2N2O4/c25-9-11-27-13-15-31-23(29,17-27)21-5-1-19(2-6-21)20-3-7-22(8-4-20)24(30)18-28(12-10-26)14-16-32-24/h1-8,29-30H,9-18H2" . "CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N" . "CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N" . "BGRJTUBHPOOWDU-UHFFFAOYSA-N" . "InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)" . "CC(C(C(=O)Nc1nccs1)c1ccc(cc1)Cl)C" . "CC(C(C(=O)Nc1nccs1)c1ccc(cc1)Cl)C" . "AZYDQCGCBQYFSE-UHFFFAOYSA-N" . "InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)" . "NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N" . "NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N" . "FWBHETKCLVMNFS-UHFFFAOYSA-N" . "InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)" . "OC(=O)P(=O)(O)O" . "OC(=O)P(=O)(O)O" . "ZJAOAACCNHFJAH-UHFFFAOYSA-N" . "InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)" . "OC(=O)C(c1cc(O)cc(c1)O)N" . "OC(=O)C(c1cc(O)cc(c1)O)N" . "HOOWCUZPEFNHDT-UHFFFAOYSA-N" . "InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)" . "OC(=O)CCCCCCCCCCCC1CCC2=CC3[NH+]([B-](N12)(F)F)C(C)CC3" . "OC(=O)CCCCCCCCCCCC1CCC2=CC3[NH+]([B-](N12)(F)F)C(C)CC3" . "IRNYSPHCPBXXQD-UHFFFAOYSA-N" . "InChI=1S/C22H39BF2N2O2/c1-18-13-14-20-17-21-16-15-19(27(21)23(24,25)26(18)20)11-9-7-5-3-2-4-6-8-10-12-22(28)29/h17-20,26H,2-16H2,1H3,(H,28,29)" . "CCCCCC=CCC=CCC=CCC=CCCCCNC(C(=O)O)C" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCN[C@@H](C(=O)O)C" . "ZMBYGVKXTACGHR-FQPARAGTSA-N" . "InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23(25)26/h7-8,10-11,13-14,16-17,22,24H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCC(=O)O" . "JKUDIEXTAYKJNX-DOFZRALJSA-N" . "InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-" . "CCCCCC=CCC=CCC=CCC=CCCCCNCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCNCC(=O)O" . "SYVLWSBAKCQOBP-DOFZRALJSA-N" . "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22(24)25/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-" . "NC(=N)NCCS(=O)(=O)O" . "NC(=N)NCCS(=O)(=O)O" . "JKLRIMRKZBSSED-UHFFFAOYSA-N" . "InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)" . "NC1=NCCN1CC(=O)O" . "NC1=NCCN1CC(=O)O" . "AMHZIUVRYRVYBA-UHFFFAOYSA-N" . "InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)" . "CN(CCOC1(CC2C(C1(C)CC2)(C)C)c1ccccc1)C" . "CN(CCO[C@@]1(C[C@@H]2C([C@@]1(C)CC2)(C)C)c1ccccc1)C" . "QOBGWWQAMAPULA-RLLQIKCJSA-N" . "InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1" . "CCOC(=O)c1cncn1C(c1ccccc1)C" . "CCOC(=O)c1cncn1[C@@H](c1ccccc1)C" . "NPUKDXXFDDZOKR-LLVKDONJSA-N" . "InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1" . "COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCCC1CC(=O)O" . "COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCC[C@@H]1CC(=O)O" . "LVXQSLPHTYSBIW-RUZDIDTESA-N" . "InChI=1S/C30H35NO6/c1-34-26-12-6-22(7-13-26)30(23-8-14-27(35-2)15-9-23,24-10-16-28(36-3)17-11-24)37-20-19-31-18-4-5-25(31)21-29(32)33/h6-17,25H,4-5,18-21H2,1-3H3,(H,32,33)/t25-/m1/s1" . "COc1ccc2c(c1)[nH]c(n2)S(=O)Cc1ncc(c(c1C)OC)C" . "COc1ccc2c(c1)[nH]c(n2)[S@@](=O)Cc1ncc(c(c1C)OC)C" . "SUBDBMMJDZJVOS-DEOSSOPVSA-N" . "InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1" . "O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F" . "O=[S@@](c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F" . "MJIHNNLFOKEZEW-RUZDIDTESA-N" . "InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1" . "Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C" . "Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C" . "JFGVTUJBHHZRAB-UHFFFAOYSA-N" . "InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3" . "CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC" . "CCCC(=O)O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC" . "CJGYSWNGNKCJSB-YVLZZHOMSA-N" . "InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1" . "NCC(CC(=O)O)CC(C)C" . "NC[C@H](CC(=O)O)CC(C)C" . "AYXYPKUFHZROOJ-ZETCQYMHSA-N" . "InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1" . "NCC1(CCCCC1)CC(=O)O" . "NCC1(CCCCC1)CC(=O)O" . "UGJMXCAKCUNAIE-UHFFFAOYSA-N" . "InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)" . "CC(Cl)(Cl)Cl" . "CC(Cl)(Cl)Cl" . "UOCLXMDMGBRAIB-UHFFFAOYSA-N" . "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" . "Cc1ccccc1" . "Cc1ccccc1" . "YXFVVABEGXRONW-UHFFFAOYSA-N" . "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" . "CCCC(C1(CC)C(=O)NC(=O)NC1=O)C" . "CCCC(C1(CC)C(=O)NC(=O)NC1=O)C" . "WEXRUCMBJFQVBZ-UHFFFAOYSA-N" . "InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" . "CCOC1CC2(C)C(CC1O)CCC1C2C(CC2(C1CCC2C(=O)C)C)N(C)C" . "CCO[C@H]1C[C@@]2(C)[C@H](C[C@@H]1O)CC[C@@H]1[C@@H]2[C@@H](C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)N(C)C" . "NCGLTZSBTFVVAW-KNXRZYMVSA-N" . "InChI=1S/C25H43NO3/c1-7-29-22-14-24(3)16(12-21(22)28)8-9-17-19-11-10-18(15(2)27)25(19,4)13-20(23(17)24)26(5)6/h16-23,28H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24-,25+/m0/s1" . "C1CCCNC1" . "C1CCCNC1" . "NQRYJNQNLNOLGT-UHFFFAOYSA-N" . "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2" . "N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]" . "N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]" . "RPXVIAFEQBNEAX-UHFFFAOYSA-N" . "InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)" . "OC(=O)C(c1cccc(c1)O)N" . "OC(=O)[C@H](c1cccc(c1)O)N" . "DQLYTFPAEVJTFM-ZETCQYMHSA-N" . "InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1" . "[N-]=[N+]=Nc1ccc(cc1)CC(=O)NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O" . "[N-]=[N+]=Nc1ccc(cc1)CC(=O)NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O" . "OVAIIHUWSLJJPO-UHFFFAOYSA-N" . "InChI=1S/C18H15Cl2N5O3/c19-10-6-12(20)17-13(7-10)22-15(18(27)28)8-14(17)23-16(26)5-9-1-3-11(4-2-9)24-25-21/h1-4,6-7,14-15,22H,5,8H2,(H,23,26)(H,27,28)" . "NC(=O)OCC(c1ccccc1)COC(=O)N" . "NC(=O)OCC(c1ccccc1)COC(=O)N" . "WKGXYQFOCVYPAC-UHFFFAOYSA-N" . "InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)" . "Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)O" . "Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)O" . "UYNVMODNBIQBMV-UHFFFAOYSA-N" . "InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3" . "CC1CCC(C2=C(CCC12)C)C=C(C(=O)N)C" . "C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(/C(=O)N)/C" . "CQHOIXZTIWRKEB-SUKRRCERSA-N" . "InChI=1S/C15H23NO/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H2,16,17)/b11-8+/t9-,12+,13-/m1/s1" . "OC(C(C)(C)C)C=Cc1ccc2c(c1)OCO2" . "OC(C(C)(C)C)/C=C/c1ccc2c(c1)OCO2" . "IBLNKMRFIPWSOY-FNORWQNLSA-N" . "InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+" . "CCN=C1Nc2ccc(cc2C(O1)(C)c1ccccc1)Cl" . "CCN=C1Nc2ccc(cc2C(O1)(C)c1ccccc1)Cl" . "IBYCYJFUEJQSMK-UHFFFAOYSA-N" . "InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)" . "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC" . "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC" . "PCTRYMLLRKWXGF-UHFFFAOYSA-N" . "InChI=1S/C16H24N4O2/c1-5-8-9-17-14-12-10-18-20(6-2)15(12)19-11(4)13(14)16(21)22-7-3/h10H,5-9H2,1-4H3,(H,17,19)" . "O=C1CCCO1" . "O=C1CCCO1" . "YEJRWHAVMIAJKC-UHFFFAOYSA-N" . "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" . "OC1CCC2(C(C1)CCC1C2C(=O)CC2(C1CCC2C(=O)C)C)C" . "O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "DUHUCHOQIDJXAT-OLVMNOGESA-N" . "InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1" . "C1CC(N1)COc1cccnc1" . "C1C[C@H](N1)COc1cccnc1" . "XKFMBGWHHBCWCD-QMMMGPOBSA-N" . "InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1" . "N1CC2CC(C1)c1c2cc2c(c1)nccn2" . "N1C[C@@H]2C[C@H](C1)c1c2cc2c(c1)nccn2" . "JQSHBVHOMNKWFT-DTORHVGOSA-N" . "InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C" . "USSIQXCVUWKGNF-UHFFFAOYSA-N" . "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3" . "CCOc1cccc(c1)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCCC1" . "CCOc1cccc(c1)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCCC1" . "KLFVWQCQUXXLOU-UHFFFAOYSA-N" . "InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)" . "CCCCCC(C=CC1C(C)CC(C1CC=CCCCC(=O)NCCO)O)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](C)C[C@@H]([C@@H]1C/C=C/CCCC(=O)NCCO)O)O" . "YUKILNRONMAMTM-NKDIASRKSA-N" . "InChI=1S/C23H41NO4/c1-3-4-7-10-19(26)13-14-20-18(2)17-22(27)21(20)11-8-5-6-9-12-23(28)24-15-16-25/h5,8,13-14,18-22,25-27H,3-4,6-7,9-12,15-17H2,1-2H3,(H,24,28)/b8-5-,14-13+/t18-,19+,20+,21-,22+/m1/s1" . "CCNC(=O)COc1ccc(cc1CC1C2CCC(C1c1occ(n1)C(=O)NCCCCC1CCCCC1)O2)F" . "CCNC(=O)COc1ccc(cc1C[C@H]1[C@@H]2CC[C@H]([C@H]1c1occ(n1)C(=O)NCCCCC1CCCCC1)O2)F" . "FPMMMZJJCYYVIK-QIBGPLTASA-N" . "InChI=1S/C31H42FN3O5/c1-2-33-28(36)19-38-25-12-11-22(32)16-21(25)17-23-26-13-14-27(40-26)29(23)31-35-24(18-39-31)30(37)34-15-7-6-10-20-8-4-3-5-9-20/h11-12,16,18,20,23,26-27,29H,2-10,13-15,17,19H2,1H3,(H,33,36)(H,34,37)/t23-,26-,27+,29-/m0/s1" . "CC1CC(C)C(=O)C(C1)C(CC1CC(=O)NC(=O)C1)O" . "C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O" . "YPHMISFOHDHNIV-FSZOTQKASA-N" . "InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "QCICUPZZLIQAPA-XPWFQUROSA-N" . "InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)OC(C1O)n1cnc2c1ncnc2N" . "OC1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OC[C@H]2O[C@H](C(C2O)O)n2cnc3c2ncnc3N)O[C@H](C1O)n1cnc2c1ncnc2N" . "DZDFIEYYTZFGFQ-ICIWVTHHSA-I" . "InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-57(44,52-56(42,43)51-55(40,41)50-54(38,39)49-53(35,36)37)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/p-5/t7-,8-,11?,12?,13?,14?,19-,20-,57?/m1/s1" . "CC(=O)NCCc1c[nH]c2c1cc(O)cc2" . "CC(=O)NCCc1c[nH]c2c1cc(O)cc2" . "MVAWJSIDNICKHF-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)" . "CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)OCc1ccccn1)COP(=O)(O)[O-].[NH4+]" . "CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccn1)COP(=O)(O)[O-].[NH4+]" . "CIWOPVRNKVCACF-FJRCUGBNSA-N" . "InChI=1S/C33H51N2O6P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30;/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39);1H3/b10-9-;/t31-;/m1./s1" . "OC(=O)C(Cc1o[nH]c(=O)c1C)N" . "OC(=O)C(Cc1o[nH]c(=O)c1C)N" . "QQKCZEULAPHDJP-UHFFFAOYSA-N" . "InChI=1S/C7H10N2O4/c1-3-5(13-9-6(3)10)2-4(8)7(11)12/h4H,2,8H2,1H3,(H,9,10)(H,11,12)" . "CCCCCCc1c(o[nH]c1=O)CC(C(=O)O)N" . "CCCCCCc1c(o[nH]c1=O)C[C@@H](C(=O)O)N" . "OKJBLHIYOWSQDJ-VIFPVBQESA-N" . "InChI=1S/C12H20N2O4/c1-2-3-4-5-6-8-10(18-14-11(8)15)7-9(13)12(16)17/h9H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1" . "OS(=O)CC(C(=O)O)N" . "OS(=O)C[C@@H](C(=O)O)N" . "ADVPTQAUNPRNPO-REOHCLBHSA-N" . "InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1" . "CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-]" . "CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-]" . "GSGVDKOCBKBMGG-UHFFFAOYSA-N" . "InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)" . "CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)NCCO" . "FMVHVRYFQIXOAF-DOFZRALJSA-N" . "InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-" . "CCCCCC=CCC=CCC=CCCCCCCC(=O)NCCO" . "CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)NCCO" . "ULQWKETUACYZLI-QNEBEIHSSA-N" . "InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-" . "NC(=N/N=C/c1c(Cl)cccc1Cl)N" . "NC(=N/N=C/c1c(Cl)cccc1Cl)N" . "WDZVGELJXXEGPV-PQMHYQBVSA-N" . "InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4-" . "C=CCN1CCc2c(CC1)nc(s2)N" . "C=CCN1CCc2c(CC1)nc(s2)N" . "DHSSDEDRBUKTQY-UHFFFAOYSA-N" . "InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)" . "OC1Cc2c(C1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C" . "O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C" . "KOQVBYSCBCRVQJ-FIRIVFDPSA-N" . "InChI=1S/C32H30FN3O2/c1-21(36(2)20-22-8-15-27(33)16-9-22)34-28-17-14-26-18-30(37)31(29(26)19-28)35-32(38)25-12-10-24(11-13-25)23-6-4-3-5-7-23/h3-17,19,30-31,37H,18,20H2,1-2H3,(H,35,38)/t30-,31-/m1/s1" . "Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F" . "Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F" . "RUYRNYRGPSAXTK-UHFFFAOYSA-N" . "InChI=1S/C21H17BrFN3O4S/c1-13-8-20(25-30-13)24-21(27)12-31(28,29)19-11-26(18-5-3-2-4-16(18)19)10-14-9-15(22)6-7-17(14)23/h2-9,11H,10,12H2,1H3,(H,24,25,27)" . "OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2" . "OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2" . "LPQIYUCWQOQFCS-UHFFFAOYSA-N" . "InChI=1S/C17H13NO3/c19-16-15(17(20)21)13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16/h1-9H,10H2,(H,18,19)(H,20,21)" . "O=C(Cc1ccccc1)NC1CCN(CC1)CCCN1C(=O)COc2c1cccc2" . "O=C(Cc1ccccc1)NC1CCN(CC1)CCCN1C(=O)COc2c1cccc2" . "FLGSUSWMWSZVMP-UHFFFAOYSA-N" . "InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)" . "Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)N1CCN(CC1)C(C)C)c1ccc(cc1)O" . "Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)N1CCN(CC1)C(C)C)c1ccc(cc1)O" . "LQEOPHGPHCWOAC-UHFFFAOYSA-N" . "InChI=1S/C28H28N2O3S/c1-18(2)29-13-15-30(16-14-29)21-7-3-19(4-8-21)27(33)26-24-12-11-23(32)17-25(24)34-28(26)20-5-9-22(31)10-6-20/h3-12,17-18,31-32H,13-16H2,1-2H3" . "COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O" . "COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O" . "LZCDAPDGXCYOEH-UHFFFAOYSA-N" . "InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)" . "CCCCCCCCCCCCCCCCOCC(OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]" . "ZDFOCDTXDPKJKA-WJOKGBTCSA-N" . "InChI=1S/C33H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-17-18-21-24-32(35)36/h31H,5-30H2,1-4H3,(H-,35,36,38,39)/t31-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]" . "GHQQYDSARXURNG-SSEXGKCCSA-N" . "InChI=1S/C33H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(37)41-28-30(29-43-45(39,40)42-27-26-34(2,3)4)44-33(38)25-22-19-16-17-20-23-31(35)36/h30H,5-29H2,1-4H3,(H-,35,36,39,40)/t30-/m1/s1" . "CCCCCC(C=CC=CCCCCCCCC(=O)O)O" . "CCCCCC(/C=C/C=C/CCCCCCCC(=O)O)O" . "HNICUWMFWZBIFP-BSZOFBHHSA-N" . "InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+" . "OC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2" . "OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2" . "MLKXDPUZXIRXEP-MFOYZWKCSA-N" . "InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-" . "CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O" . "CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O" . "UVVWQQKSNZLUQA-UHFFFAOYSA-N" . "InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3" . "CCOC(=O)C(Oc1cccc2c1ccn(c2=O)CC(=O)Nc1ccc2c(c1)OCCO2)C" . "CCOC(=O)C(Oc1cccc2c1ccn(c2=O)CC(=O)Nc1ccc2c(c1)OCCO2)C" . "KWMBIIQCLUIHDI-UHFFFAOYSA-N" . "InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)14-22(27)25-16-7-8-20-21(13-16)32-12-11-31-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,25,27)" . "CCCCCCCOc1ccc(cc1)O" . "CCCCCCCOc1ccc(cc1)O" . "HZBABTUFXQLADL-UHFFFAOYSA-N" . "InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3" . "CCC=CCC(C(C=CC=CC=CC=CC(CC=CCCC(=O)O)O)O)O" . "CC/C=C/C[C@@H](C(/C=C/C=C/C=C/C=C/[C@@H](C/C=C/CCC(=O)O)O)O)O" . "IKFAUGXNBOBQDM-GIINMYNKSA-N" . "InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1" . "OC1C(COP(=O)(OP(=S)(O)O)O)OC(C1O)n1cnc2c1nc(N)[nH]c2=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O" . "QJXJXBXFIOTYHB-UUOKFMHZSA-N" . "InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1" . "Cc1c2[nH]cc3c2c(c(=O)c1=O)c1c[nH]c2c1c3c(=O)c(=O)c2C" . "Cc1c2[nH]cc3c2c(c(=O)c1=O)c1c[nH]c2c1c3c(=O)c(=O)c2C" . "XUMBMVFBXHLACL-UHFFFAOYSA-N" . "InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3" . "NC(C(=O)O)CSSCC(C(=O)O)N" . "N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N" . "LEVWYRKDKASIDU-IMJSIDKUSA-N" . "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" . "CCCCCC(C=CC1C(O)CC(C1CCCCCCC(=O)O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O" . "DZUXGQBLFALXCR-CDIPTNKSSA-N" . "InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1" . "OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O" . "OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O" . "HBOMLICNUCNMMY-XLPZGREQSA-N" . "InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1" . "OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O" . "OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O" . "CZMRCDWAGMRECN-UGDNZRGBSA-N" . "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" . "NCCCC(=O)O" . "NCCCC(=O)O" . "BTCSSZJGUNDROE-UHFFFAOYSA-N" . "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)" . "COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)I" . "COC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c1ccc(cc1)[125I]" . "SIIICDNNMDMWCI-LRRSBLKXSA-N" . "InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1/i17-2" . "N#CN=C(Nc1cccc2c1cccn2)NC(c1ccccc1)C" . "N#C/N=C(/Nc1cccc2c1cccn2)/N[C@H](c1ccc(cc1)[3H])C" . "PQYCRDPLPKGSME-MEVLSXKGSA-N" . "InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1/i2T" . "O=C(c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)N(C1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1" . "O=C(c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)N([C@H]1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1" . "VQGBOYBIENNKMI-LJAQVGFWSA-N" . "InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1" . "OC1C(COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=[35S])([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "NLTUCYMLOPLUHL-RZDQATCLSA-J" . "InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/p-4/t4-,6-,7-,10-/m1/s1/i31+3" . "OC1C(COP(=O)(CP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "CAWZRIXWFRFUQB-IOSLPCCCSA-N" . "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1" . "CC(n1cncc1C(=O)OCCC1(C)N=N1)c1ccccc1" . "CC(n1cncc1C(=O)OCCC1(C)N=N1)c1ccccc1" . "DUOHNSBKYJHAMQ-UHFFFAOYSA-N" . "InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3" . "OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C" . "OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C" . "UMQUQWCJKFOUGV-UHFFFAOYSA-N" . "InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1" . "IENZQIKPVFGBNW-UHFFFAOYSA-N" . "InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)" . "CCC(=C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1" . "CC/C(=C(/c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1" . "NKANXQFJJICGDU-QPLCGJKRSA-N" . "InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-" . "SCC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)Cc1ccc(cc1)O)Cc1ccccc1)CCC(=O)N)CC(=O)N " . "NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O" . "MIFHTMACYGHZKT-FRPRKMAFSA-N" . "InChI=1S/C46H67N15O12S2/c47-27(22-74)38(66)57-30(19-25-10-12-26(62)13-11-25)42(70)58-31(18-24-6-2-1-3-7-24)41(69)55-29(14-15-35(48)63)40(68)59-32(20-36(49)64)43(71)60-33(23-75)45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65/h1-3,6-7,10-13,27-34,62,74-75H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28+,29-,30-,31-,32-,33-,34-/m0/s1" . "CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O" . "CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[32P](=O)(O)O)N)O" . "DUYSYHSSBDVJSM-CRGHQYIOSA-N" . "InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1/i25+1" . "COC(=O)Nc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I" . "COC(=O)Nc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)[125I]" . "BMRSKORHUNWKLU-VLPIPSKASA-N" . "InChI=1S/C14H16IN3O3/c1-8(19)16-6-5-10-11-7-9(17-14(20)21-2)3-4-12(11)18-13(10)15/h3-4,7,18H,5-6H2,1-2H3,(H,16,19)(H,17,20)/i15-2" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)O" . "WRGQSWVCFNIUNZ-KTKRTIGZSA-N" . "InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-" . "COCc1cncc(c1)C#Cc1csc(n1)C" . "COCc1cncc(c1)C#Cc1csc(n1)C" . "AWDRAHDWMICWJM-UHFFFAOYSA-N" . "InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3" . "CN(C(=O)c1sc2n(c1C)c1c(n2)ccc(c1)N)C1CCCCC1" . "CN(C(=O)c1sc2n(c1C)c1c(n2)ccc(c1)N)C1CCCCC1" . "KCBXOMYXOBVLED-UHFFFAOYSA-N" . "InChI=1S/C18H22N4OS/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18/h8-10,13H,3-7,19H2,1-2H3" . "CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C" . "CC(=O)C1=C(O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C" . "SZINUGQCTHLQAZ-DQYPLSBCSA-N" . "InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1" . "OC(=O)C1CCC(C1)(N)C(=O)O" . "OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O" . "YFYNOWXBIBKGHB-FBCQKBJTSA-N" . "InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)C(O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)[C@H](O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O" . "IBAFSRAMOWXNLI-CRUSWPMPSA-N" . "InChI=1S/C144H213N41O43/c1-69(2)42-90(169-126(210)92(44-71(5)6)170-128(212)95(48-80-33-37-85(193)38-34-80)165-111(197)59-155-119(203)74(11)161-136(220)103(63-186)179-132(216)101(53-109(148)195)174-127(211)93(45-72(7)8)177-141(225)117(76(13)190)184-135(219)97(163-110(196)55-146)49-81-56-154-87-27-19-18-26-86(81)87)121(205)158-62-114(200)185-41-23-30-107(185)139(223)176-98(50-82-57-151-67-159-82)125(209)162-75(12)120(204)182-116(73(9)10)140(224)157-61-113(199)166-100(52-108(147)194)131(215)173-99(51-83-58-152-68-160-83)130(214)168-89(29-22-40-153-144(149)150)124(208)178-104(64-187)137(221)172-96(46-78-24-16-15-17-25-78)129(213)180-105(65-188)138(222)175-102(54-115(201)202)133(217)167-88(28-20-21-39-145)123(207)171-94(47-79-31-35-84(192)36-32-79)122(206)156-60-112(198)164-91(43-70(3)4)134(218)183-118(77(14)191)142(226)181-106(66-189)143(227)228/h15-19,24-27,31-38,56-58,67-77,88-107,116-118,154,186-193H,20-23,28-30,39-55,59-66,145-146H2,1-14H3,(H2,147,194)(H2,148,195)(H,151,159)(H,152,160)(H,155,203)(H,156,206)(H,157,224)(H,158,205)(H,161,220)(H,162,209)(H,163,196)(H,164,198)(H,165,197)(H,166,199)(H,167,217)(H,168,214)(H,169,210)(H,170,212)(H,171,207)(H,172,221)(H,173,215)(H,174,211)(H,175,222)(H,176,223)(H,177,225)(H,178,208)(H,179,216)(H,180,213)(H,181,226)(H,182,204)(H,183,218)(H,184,219)(H,201,202)(H,227,228)(H4,149,150,153)/t74-,75-,76+,77+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)C(O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)O" . "NRTVYPCVTMOPIR-MUKWZMPRSA-N" . "InChI=1S/C144H213N41O42/c1-15-73(10)116(142(226)178-103(56-115(201)202)135(219)174-100(53-108(147)193)132(216)172-99(52-83-60-153-68-160-83)131(215)167-89(30-23-41-154-144(150)151)125(209)179-105(65-187)139(223)171-96(47-78-25-17-16-18-26-78)130(214)181-106(66-188)140(224)175-102(55-114(199)200)134(218)166-88(29-21-22-40-145)124(208)170-94(48-79-32-36-84(191)37-33-79)123(207)157-62-112(197)164-91(44-70(4)5)136(220)183-117(76(13)189)119(149)203)182-121(205)75(12)162-126(210)98(51-82-59-152-67-159-82)176-141(225)107-31-24-42-185(107)113(198)63-158-122(206)90(43-69(2)3)168-127(211)92(45-71(6)7)169-129(213)95(49-80-34-38-85(192)39-35-80)165-111(196)61-156-120(204)74(11)161-138(222)104(64-186)180-133(217)101(54-109(148)194)173-128(212)93(46-72(8)9)177-143(227)118(77(14)190)184-137(221)97(163-110(195)57-146)50-81-58-155-87-28-20-19-27-86(81)87/h16-20,25-28,32-39,58-60,67-77,88-107,116-118,155,186-192H,15,21-24,29-31,40-57,61-66,145-146H2,1-14H3,(H2,147,193)(H2,148,194)(H2,149,203)(H,152,159)(H,153,160)(H,156,204)(H,157,207)(H,158,206)(H,161,222)(H,162,210)(H,163,195)(H,164,197)(H,165,196)(H,166,218)(H,167,215)(H,168,211)(H,169,213)(H,170,208)(H,171,223)(H,172,216)(H,173,212)(H,174,219)(H,175,224)(H,176,225)(H,177,227)(H,178,226)(H,179,209)(H,180,217)(H,181,214)(H,182,205)(H,183,220)(H,184,221)(H,199,200)(H,201,202)(H4,150,151,154)/t73-,74-,75-,76+,77+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-/m0/s1" . "CCCc1ccccc1OCC(CNC(C)C)O" . "CCCc1ccccc1OCC(CNC(C)C)O" . "JVHCMYZFGCOCTD-UHFFFAOYSA-N" . "InChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3" . "CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C" . "C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C" . "SHGAZHPCJJPHSC-ZVCIMWCZSA-N" . "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+" . "NCCC[P+](=O)O" . "NCCC[P+](=O)O" . "MQIWYGZSHIXQIU-UHFFFAOYSA-O" . "InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CCCN=C(N)N)CC(C)C)CC(C)C)CC(=O)N)C)C(O)C)C)C)N " . "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O" . "VKPILWKQJZPQOB-LBVMNVMQSA-N" . "InChI=1S/C48H84N16O17/c1-21(2)15-29(42(75)58-28(11-9-13-53-48(51)52)41(74)62-32(20-66)47(80)81)60-44(77)33-12-10-14-64(33)46(79)31(16-22(3)4)61-43(76)30(17-34(50)68)59-38(71)25(7)57-45(78)36(26(8)67)63-39(72)24(6)55-35(69)18-54-37(70)23(5)56-40(73)27(49)19-65/h21-33,36,65-67H,9-20,49H2,1-8H3,(H2,50,68)(H,54,70)(H,55,69)(H,56,73)(H,57,78)(H,58,75)(H,59,71)(H,60,77)(H,61,76)(H,62,74)(H,63,72)(H,80,81)(H4,51,52,53)/t23-,24-,25-,26+,27-,28-,29-,30-,31-,32-,33-,36-/m0/s1" . "O=C(c1ncc(o1)c1ccccn1)CCCCCCc1ccccc1" . "O=C(c1ncc(o1)c1ccccn1)CCCCCCc1ccccc1" . "ILOIOIGZFHGSMS-UHFFFAOYSA-N" . "InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)N)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "QSBGWDDCOJYQGY-KOQODJNWSA-N" . "InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "FIXINIMRYLWICD-KAQLENNSSA-N" . "InChI=1S/C123H181N37O36/c1-12-63(8)100(159-102(175)65(10)141-109(182)84(42-70-49-130-57-137-70)155-120(193)92-24-19-35-160(92)97(169)54-136-104(177)78(36-60(2)3)147-110(183)80(38-62(6)7)148-111(184)82(41-69-27-31-74(164)32-28-69)144-95(167)52-134-101(174)64(9)140-118(191)90(55-161)157-103(176)75(125)45-93(126)165)121(194)156-89(48-99(172)173)117(190)153-87(46-94(127)166)115(188)152-85(43-71-50-131-58-138-71)113(186)146-77(23-18-34-133-123(128)129)107(180)158-91(56-162)119(192)150-83(39-67-20-14-13-15-21-67)112(185)151-86(44-72-51-132-59-139-72)114(187)154-88(47-98(170)171)116(189)145-76(22-16-17-33-124)106(179)149-81(40-68-25-29-73(163)30-26-68)105(178)135-53-96(168)143-79(37-61(4)5)108(181)142-66(11)122(195)196/h13-15,20-21,25-32,49-51,57-66,75-92,100,161-164H,12,16-19,22-24,33-48,52-56,124-125H2,1-11H3,(H2,126,165)(H2,127,166)(H,130,137)(H,131,138)(H,132,139)(H,134,174)(H,135,178)(H,136,177)(H,140,191)(H,141,182)(H,142,181)(H,143,168)(H,144,167)(H,145,189)(H,146,186)(H,147,183)(H,148,184)(H,149,179)(H,150,192)(H,151,185)(H,152,188)(H,153,190)(H,154,187)(H,155,193)(H,156,194)(H,157,176)(H,158,180)(H,159,175)(H,170,171)(H,172,173)(H,195,196)(H4,128,129,133)/t63-,64-,65-,66-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(C)C)CC(=O)N " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)O" . "MUEGHULZMXFVFL-ZHRZWFTASA-N" . "InChI=1S/C56H83N13O16/c1-27(2)17-38(50(79)61-25-46(75)76)64-51(80)39(18-28(3)4)65-53(82)41(20-32-13-15-34(72)16-14-32)63-45(74)24-60-48(77)30(7)62-55(84)43(26-70)68-54(83)42(22-44(58)73)66-52(81)40(19-29(5)6)67-56(85)47(31(8)71)69-49(78)36(57)21-33-23-59-37-12-10-9-11-35(33)37/h9-16,23,27-31,36,38-43,47,59,70-72H,17-22,24-26,57H2,1-8H3,(H2,58,73)(H,60,77)(H,61,79)(H,62,84)(H,63,74)(H,64,80)(H,65,82)(H,66,81)(H,67,85)(H,68,83)(H,69,78)(H,75,76)/t30-,31+,36-,38-,39-,40-,41-,42-,43-,47-/m0/s1" . "CNC(=NC)NCCCC(C(=O)O)N" . "CN/C(=N/C)/NCCC[C@@H](C(=O)O)N" . "HVPFXCBJHIIJGS-LURJTMIESA-N" . "InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1" . "CC1CCCC(O)C=CC(=O)OC23C(C=CC1)C(O)C(=C)C(C3C(NC2=O)Cc1ccccc1)C" . "C[C@@H]1CCC[C@@H](O)/C=C/C(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](NC2=O)Cc1ccccc1)C" . "GBOGMAARMMDZGR-TYHYBEHESA-N" . "InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1" . "O[Hg]CC(CNC(=O)c1ccccc1OCC(=O)O)OC" . "O[Hg]CC(CNC(=O)c1ccccc1OCC(=O)O)OC" . "HQRSUIDICNOLPX-UHFFFAOYSA-M" . "InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O" . "WVBIAJKQIUYYOO-HOBSFDBDSA-N" . "InChI=1S/C56H83N13O16/c1-27(2)17-37(50(78)67-42(56(84)85)19-29(5)6)64-51(79)39(20-32-13-15-34(72)16-14-32)63-46(75)25-60-48(76)30(7)61-54(82)43(26-70)68-52(80)41(22-44(58)73)65-49(77)38(18-28(3)4)66-55(83)47(31(8)71)69-53(81)40(62-45(74)23-57)21-33-24-59-36-12-10-9-11-35(33)36/h9-16,24,27-31,37-43,47,59,70-72H,17-23,25-26,57H2,1-8H3,(H2,58,73)(H,60,76)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,77)(H,66,83)(H,67,78)(H,68,80)(H,69,81)(H,84,85)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)C(O)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C(C)C)C(C)C)N)C " . "CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C" . "NBQSSMDPPLHNDC-GSOGOTFGSA-N" . "InChI=1S/C65H93N15O14/c1-34(2)29-43(66)55(84)77-53(36(5)6)61(90)78-52(35(3)4)60(89)75-48(30-39-21-23-41(82)24-22-39)63(92)80-28-14-20-50(80)59(88)74-47(32-40-33-71-44-18-12-11-17-42(40)44)58(87)79-54(37(7)81)62(91)73-46(25-26-51(67)83)57(86)72-45(19-13-27-70-65(68)69)56(85)76-49(64(93)94)31-38-15-9-8-10-16-38/h8-12,15-18,21-24,33-37,43,45-50,52-54,71,81-82H,13-14,19-20,25-32,66H2,1-7H3,(H2,67,83)(H,72,86)(H,73,91)(H,74,88)(H,75,89)(H,76,85)(H,77,84)(H,78,90)(H,79,87)(H,93,94)(H4,68,69,70)/t37-,43+,45+,46+,47+,48+,49+,50+,52+,53+,54+/m1/s1" . "CCCCCCCC(=O)OC1C(OC(=O)C(=CC)C)C(=C2C1C(C)(OC(=O)C)CC(C1(C2OC(=O)C1(C)O)O)OC(=O)CCC)C" . "CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC)C" . "IXFPJGBNCFXKPI-FSIHEZPISA-N" . "InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1" . "O=c1onc2n1c1ccccc1nc2" . "O=c1onc2n1c1ccccc1nc2" . "LZMHWZHOZLVYDL-UHFFFAOYSA-N" . "InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H" . "CC1=CC2(OC(C1)C(C=CC1CCC3(O1)CCC1C(O3)C(O)C(=C)C(O1)C(CC(C1OC3(CCCCO3)CCC1C)C)O)C)OC(CCC2O)CC(C(=O)O)(O)C" . "CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@H]2O)C[C@](C(=O)O)(O)C" . "QNDVLZJODHBUFM-WFXQOWMNSA-N" . "InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1" . "Clc1ccc(cn1)C1CC2NC1CC2" . "Clc1ccc(cn1)[C@@H]1C[C@@H]2N[C@H]1CC2" . "NLPRAJRHRHZCQQ-UTLUCORTSA-N" . "InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1" . "O=c1cccc2n1CC1CNCC2C1" . "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1" . "ANJTVLIZGCUXLD-DTWKUNHWSA-N" . "InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O" . "REFJWTPEDVJJIY-UHFFFAOYSA-N" . "InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H" . "COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1" . "COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1" . "BLGXFZZNTVWLAY-DKJBZYCGSA-N" . "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1" . "O=C1CC2(C(C1C)C2)C(C)C" . "O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C" . "USMNOWBWPHYOEA-MRTMQBJTSA-N" . "InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1" . "NC(=O)N1c2ccccc2C=Cc2c1cccc2" . "NC(=O)N1c2ccccc2C=Cc2c1cccc2" . "FFGPTBGBLSHEPO-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)" . "CCC1(C(=O)NCNC1=O)c1ccccc1" . "CCC1(C(=O)NCNC1=O)c1ccccc1" . "DQMZLTXERSFNPB-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)" . "CCN1C(=O)C=CC1=O" . "CCN1C(=O)C=CC1=O" . "HDFGOPSGAURCEO-UHFFFAOYSA-N" . "InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3" . "C#CCNCC(=O)O" . "C#CCNCC(=O)O" . "XSJLQGMTIHCDSS-UHFFFAOYSA-N" . "InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)" . "OC(=O)C1(N)C2CC3C1C3(C2)C(=O)O" . "OC(=O)[C@@]1(N)[C@H]2C[C@H]3[C@@H]1[C@]3(C2)C(=O)O" . "KETJIAAJBCULKI-DPPUOXHASA-N" . "InChI=1S/C9H11NO4/c10-9(7(13)14)3-1-4-5(9)8(4,2-3)6(11)12/h3-5H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4-,5+,8+,9+/m0/s1" . "NC(=N)NCC(=O)O" . "NC(=N)NCC(=O)O" . "BPMFZUMJYQTVII-UHFFFAOYSA-N" . "InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)" . "N=C(NC(C(=O)O)CC(=O)O)NCCCC(C(=O)O)N" . "N=C(N[C@H](C(=O)O)CC(=O)O)NCCC[C@@H](C(=O)O)N" . "KDZOASGQNOPSCU-WDSKDSINSA-N" . "InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1" . "COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1" . "COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1" . "HJORMJIFDVBMOB-UHFFFAOYSA-N" . "InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)" . "Nc1ncc2c(n1)CC(CC2=O)c1ccco1" . "Nc1ncc2c(n1)CC(CC2=O)c1ccco1" . "SOJUSNIBPPMLCC-UHFFFAOYSA-N" . "InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)" . "NCCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(C)(C)C)C(=O)NC(C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C" . "NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C" . "BLKOJISPADSFAG-JPDBKSEFSA-N" . "InChI=1S/C40H67N9O8/c1-24(2)22-30(38(56)57)47-36(54)32(40(4,5)6)48-34(52)29(23-26-15-17-27(50)18-16-26)46-35(53)31-14-11-21-49(31)37(55)28(13-10-20-44-39(42)43)45-33(51)25(3)12-8-7-9-19-41/h15-18,24-25,28-32,50H,7-14,19-23,41H2,1-6H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,32+/m0/s1" . "COC(=O)CC(C(=O)CF)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C" . "COC(=O)C[C@@H](C(=O)CF)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C" . "MVPQJUFFTWWKBT-LBDWYMBGSA-N" . "InChI=1S/C31H39FN4O9/c1-18(2)27(30(42)33-19(3)28(40)34-23(25(38)16-32)15-26(39)44-4)36-29(41)24(14-20-10-12-22(37)13-11-20)35-31(43)45-17-21-8-6-5-7-9-21/h5-13,18-19,23-24,27,37H,14-17H2,1-4H3,(H,33,42)(H,34,40)(H,35,43)(H,36,41)/t19-,23-,24-,27-/m0/s1" . "ON(C(c1cc2c(s1)cccc2)C)C(=O)N" . "ON(C(c1cc2c(s1)cccc2)C)C(=O)N" . "MWLSOWXNZPKENC-UHFFFAOYSA-N" . "InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)" . "CCCCCCC(C(=O)O)Sc1nc(Cl)cc(n1)Nc1cccc(c1C)C" . "CCCCCCC(C(=O)O)Sc1nc(Cl)cc(n1)Nc1cccc(c1C)C" . "HVJBWTVMRIOTEL-UHFFFAOYSA-N" . "InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)" . "CCc1ccc2c(n1)n(CC)c(=O)nc2c1cccc(c1)Cl" . "CCc1ccc2c(n1)n(CC)c(=O)nc2c1cccc(c1)Cl" . "MNHXYNNKDDXKNP-UHFFFAOYSA-N" . "InChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3" . "OCc1ccc(o1)c1nn(c2c1cccc2)Cc1ccccc1" . "OCc1ccc(o1)c1nn(c2c1cccc2)Cc1ccccc1" . "OQQVFCKUDYMWGV-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2" . "CC(C1CCC(CC1)C(=O)Nc1ccncc1)N" . "C[C@H]([C@@H]1CC[C@H](CC1)C(=O)Nc1ccncc1)N" . "IYOZTVGMEWJPKR-IJLUTSLNSA-N" . "InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1" . "O=C(N(Cc1cccc(c1)c1ccncc1)C)Oc1ccc(cc1)c1ccc(cc1)C(=O)N" . "O=C(N(Cc1cccc(c1)c1ccncc1)C)Oc1ccc(cc1)c1ccc(cc1)C(=O)N" . "QTWNORFUQILKJL-UHFFFAOYSA-N" . "InChI=1S/C27H23N3O3/c1-30(18-19-3-2-4-24(17-19)22-13-15-29-16-14-22)27(32)33-25-11-9-21(10-12-25)20-5-7-23(8-6-20)26(28)31/h2-17H,18H2,1H3,(H2,28,31)" . "NC(=N)SCCc1cccc(c1)CCSC(=N)N" . "NC(=N)SCCc1cccc(c1)CCSC(=N)N" . "YEUSLPIIQGZHQB-UHFFFAOYSA-N" . "InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)" . "ONC(=O)c1cc(C)cc(c1N(S(=O)(=O)c1ccc(cc1)OCCNC(=O)c1cc2c(o1)cccc2)Cc1ccccc1)C" . "ONC(=O)c1cc(C)cc(c1N(S(=O)(=O)c1ccc(cc1)OCCNC(=O)c1cc2c(o1)cccc2)Cc1ccccc1)C" . "FARMEEAGJWMFSZ-UHFFFAOYSA-N" . "InChI=1S/C33H31N3O7S/c1-22-18-23(2)31(28(19-22)32(37)35-39)36(21-24-8-4-3-5-9-24)44(40,41)27-14-12-26(13-15-27)42-17-16-34-33(38)30-20-25-10-6-7-11-29(25)43-30/h3-15,18-20,39H,16-17,21H2,1-2H3,(H,34,38)(H,35,37)" . "Fc1cccc(c1)N1CNC(=O)C21CCN(CC2)CCNC(=O)c1ccc2c(c1)cccc2" . "Fc1cccc(c1)N1CNC(=O)C21CCN(CC2)CCNC(=O)c1ccc2c(c1)cccc2" . "MSTXJJGAXXJCBY-UHFFFAOYSA-N" . "InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)" . "CC(CCCC(CCCC(C)C)C)CCCC(=CCc1c(C)c(O)c2c(c1O)cccc2)C" . "C[C@H](CCC[C@@H](CCCC(C)C)C)CCC/C(=C/Cc1c(C)c(O)c2c(c1O)cccc2)/C" . "BUFJIHPUGZHTHL-NKFFZRIASA-N" . "InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1" . "CCOC(=O)C1=CC2(CC)CCCN3C2c2n1c1ccccc1c2CC3" . "CCOC(=O)C1=C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3" . "DDNCQMVWWZOMLN-IRLDBZIGSA-N" . "InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1" . "COc1ccc2c(c1)CCC1C2CCC2(C1CCC2NCCCCCCN1C(=O)C=CC1=O)C" . "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2NCCCCCCN1C(=O)C=CC1=O)C" . "LUFAORPFSVMJIW-ZRJUGLEFSA-N" . "InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1" . "N#CC(=C(Sc1ccccc1N)N)C(=C(Sc1ccccc1N)N)C#N" . "N#C/C(=C(/Sc1ccccc1N)/N)/C(=C(/Sc1ccccc1N)/N)/C#N" . "DVEXZJFMOKTQEZ-JYFOCSDGSA-N" . "InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+" . "NC1CC1c1ccccc1" . "NC1CC1c1ccccc1" . "AELCINSCMGFISI-UHFFFAOYSA-N" . "InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2" . "CCCCCCCCCCCCCCOc1ccc(o1)C(=O)O" . "CCCCCCCCCCCCCCOc1ccc(o1)C(=O)O" . "CZRCFAOMWRAFIC-UHFFFAOYSA-N" . "InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)" . "C=Cc1c2C=c3[n-]c(=Cc4[n-]c(C=c5[n-]c(=Cc(c1C)[n-]2)c(C=C)c5C)c(c4CCC(=O)O)C)c(c3C)CCC(=O)O.[Sn+4]" . "C=Cc1c2/C=c/3/[n-]c(=Cc4[n-]c(/C=c/5/[n-]/c(=C/c(c1C)[n-]2)/c(C=C)c5C)c(c4CCC(=O)O)C)c(c3C)CCC(=O)O.[Sn+4]" . "VWEYNEFKXXWVHZ-IBPJAKCHSA-N" . "InChI=1S/C34H32N4O4.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+4/b25-13-,26-13?,27-14?,28-15-,29-14-,30-15?,31-16?,32-16?;" . "SCC(C(=O)NCC(=O)O)Cc1ccccc1" . "SC[C@H](C(=O)NCC(=O)O)Cc1ccccc1" . "LJJKNPQAGWVLDQ-SNVBAGLBSA-N" . "InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1" . "CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O" . "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O" . "AHLBNYSZXLDEJQ-FWEHEUNISA-N" . "InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1" . "CC(C(C1CNc2c(N1)c(=O)[nH]c(n2)N)O)O" . "C[C@@H]([C@@H]([C@H]1CNc2c(N1)c(=O)[nH]c(n2)N)O)O" . "FNKQXYHWGSIFBK-RPDRRWSUSA-N" . "InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1" . "COC(=O)c1c(c2cc(OC)c(c(c2)OC)OC)c2ccnc(c2c(=O)n1Cc1ccnc(c1)C)OCc1ncccn1" . "COC(=O)c1c(c2cc(OC)c(c(c2)OC)OC)c2ccnc(c2c(=O)n1Cc1ccnc(c1)C)OCc1ncccn1" . "JEMJAABFSYOLAP-UHFFFAOYSA-N" . "InChI=1S/C31H29N5O7/c1-18-13-19(7-11-32-18)16-36-27(31(38)42-5)25(20-14-22(39-2)28(41-4)23(15-20)40-3)21-8-12-35-29(26(21)30(36)37)43-17-24-33-9-6-10-34-24/h6-15H,16-17H2,1-5H3" . "OC(=O)c1ccc2c3c1cccc3c(=O)n1c2nc2c1cccc2" . "OC(=O)c1ccc2c3c1cccc3c(=O)n1c2nc2c1cccc2" . "MYKOWOGZBMOVBJ-UHFFFAOYSA-N" . "InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)" . "O=c1c2ccccc2c2c3c1cccc3[nH]n2" . "O=c1c2ccccc2c2c3c1cccc3[nH]n2" . "ACPOUJIDANTYHO-UHFFFAOYSA-N" . "InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)" . "N#Cc1c(C)nn(c1NC(=O)NS(=O)(=O)c1ccc(cc1)Cl)c1ccccc1.[Na+]" . "N#Cc1c(C)nn(c1NC(=O)NS(=O)(=O)c1ccc(cc1)Cl)c1ccccc1.[Na+]" . "XJBBHNFWWJTEGW-UHFFFAOYSA-N" . "InChI=1S/C18H14ClN5O3S.Na/c1-12-16(11-20)17(24(22-12)14-5-3-2-4-6-14)21-18(25)23-28(26,27)15-9-7-13(19)8-10-15;/h2-10H,1H3,(H2,21,23,25);/q;+1" . "Cn1c(=O)c2[nH]c(nc2n2c1=NC1C2CCC1)Cc1ccc(cc1)C(F)(F)F" . "Cn1c(=O)c2[nH]c(nc2n2c1=N[C@H]1[C@@H]2CCC1)Cc1ccc(cc1)C(F)(F)F" . "JOSMPBVYYKRYLG-OLZOCXBDSA-N" . "InChI=1S/C19H18F3N5O/c1-26-17(28)15-16(27-13-4-2-3-12(13)23-18(26)27)25-14(24-15)9-10-5-7-11(8-6-10)19(20,21)22/h5-8,12-13H,2-4,9H2,1H3,(H,24,25)/t12-,13+/m1/s1" . "Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C" . "Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C" . "CDMGBJANTYXAIV-UHFFFAOYSA-N" . "InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)" . "NC(=NN=C1CCc2c1cccc2C(=N)N)N" . "NC(=N/N=C/1/CCc2c1cccc2C(=N)N)N" . "CYPGNVSXMAUSJY-CXUHLZMHSA-N" . "InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+" . "NC(C(=O)O)CC=C" . "N[C@H](C(=O)O)CC=C" . "WNNNWFKQCKFSDK-BYPYZUCNSA-N" . "InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1" . "COc1cccc(c1N)c1cc(=O)c2c(o1)cccc2" . "COc1cccc(c1N)c1cc(=O)c2c(o1)cccc2" . "QFWCYNPOPKQOKV-UHFFFAOYSA-N" . "InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3" . "OC(=O)C(CCSCC1OC(C(C1O)O)n1cnc2c1ncnc2N)N" . "OC(=O)[C@H](CCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)N" . "ZJUKTBDSGOFHSH-WFMPWKQPSA-N" . "InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1" . "OB(CCSCC(C(=O)O)N)O" . "OB(CCSC[C@@H](C(=O)O)N)O" . "OTJHLDXXJHAZTN-BYPYZUCNSA-N" . "InChI=1S/C5H12BNO4S/c7-4(5(8)9)3-12-2-1-6(10)11/h4,10-11H,1-3,7H2,(H,8,9)/t4-/m0/s1" . "CN(CC1OCCn2cc(c3c2cccc3)C2=C(c3cn(CC1)c1ccccc31)C(=O)NC2=O)C" . "CN(C[C@H]1OCCn2cc(c3c2cccc3)C2=C(c3cn(CC1)c1ccccc31)C(=O)NC2=O)C" . "ZCBUQCWBWNUWSU-SFHVURJKSA-N" . "InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1" . "OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H]2O[P@@](=S)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N" . "SMPNJFHAPJOHPP-PUHOFUEYSA-N" . "InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1" . "OCC1OC(CC1O)n1cnc2c1NC=NCC2O" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1NC=NC[C@H]2O" . "FPVKHBSQESCIEP-JQCXWYLXSA-N" . "InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1" . "OC1C2OP(O)(S)OCC2OC1n1c(Sc2ccc(cc2)Cl)nc2c1nc(N)[nH]c2=O" . "O[C@H]1C2OP(O)(S)OC[C@H]2OC1n1c(Sc2ccc(cc2)Cl)nc2c1nc(N)[nH]c2=O" . "DACIPZKKJBVMPL-BRBYWKQGSA-N" . "InChI=1S/C16H17ClN5O6PS2/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(27-14)5-26-29(25,30)28-11/h1-4,8,10-11,14,23,25,29-30H,5H2,(H3,18,20,21,24)/t8-,10+,11?,14?/m1/s1" . "COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1" . "COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1" . "HJORMJIFDVBMOB-UHFFFAOYSA-N" . "InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)" . "NC(=N)SCCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C" . "NC(=N)SCCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C" . "DSXXEELGXBCYNQ-UHFFFAOYSA-N" . "InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)" . "CCCCOc1cc(ccc1OC)CC1CNC(=O)N1" . "CCCCOc1cc(ccc1OC)CC1CNC(=O)N1" . "PDMUULPVBYQBBK-UHFFFAOYSA-N" . "InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)" . "COC(=O)N(c1c(N)nc(nc1N)c1nn(c2c1cccn2)Cc1ccccc1F)C" . "COC(=O)N(c1c(N)nc(nc1N)c1nn(c2c1cccn2)Cc1ccccc1F)C" . "WXXSNCNJFUAIDG-UHFFFAOYSA-N" . "InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)" . "O=C(ON=C1CCCCC1)NCCCCCCNC(=O)ON=C1CCCCC1" . "O=C(ON=C1CCCCC1)NCCCCCCNC(=O)ON=C1CCCCC1" . "RXSVYGIGWRDVQC-UHFFFAOYSA-N" . "InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)" . "O=Cc1c(COP(=O)(O)O)cnc(c1O)C" . "O=Cc1c(COP(=O)(O)O)cnc(c1O)C" . "NGVDGCNFYWLIFO-UHFFFAOYSA-N" . "InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)" . "CCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "QAQREVBBADEHPA-IEXPHMLFSA-N" . "InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1" . "CCCCCC(C=CC1C2OOC(C1CC=CCCCC(=O)O)C2)OO" . "CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2)OO" . "SGUKUZOVHSFKPH-YNNPMVKQSA-N" . "InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1" . "O=C(N1CCC(CC1)Cc1cnc2c(c1)cccc2)Nc1ccccc1" . "O=C(N1CCC(CC1)Cc1cnc2c(c1)cccc2)Nc1ccccc1" . "BIODYGOZWZNCAG-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)" . "O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1cccnc1" . "O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1cccnc1" . "NBOJHRYUGLRASX-UHFFFAOYSA-N" . "InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)" . "C=CCc1cccc(c1O)C=NNC(=O)CN1CCN(CC1)Cc1ccccc1" . "C=CCc1cccc(c1O)/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1" . "YQNRVGJCPCNMKT-JLPGSUDCSA-N" . "InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16-" . "OC(=O)CC(=O)C(=O)O" . "OC(=O)CC(=O)C(=O)O" . "KHPXUQMNIQBQEV-UHFFFAOYSA-N" . "InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)" . "C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)CCC(C)C)O" . "C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)CCC(C)C)O" . "DOIXLDJOYNGJJP-SMIGQZBFSA-N" . "InChI=1S/C28H44O8/c1-10-25(7)15-19(31)28(33)26(8)18(30)13-14-24(5,6)22(26)21(35-20(32)12-11-16(2)3)23(34-17(4)29)27(28,9)36-25/h10,16,18,21-23,30,33H,1,11-15H2,2-9H3/t18-,21-,22-,23-,25-,26-,27+,28-/m0/s1" . "CC(=N)NCCCCC(C(=O)O)N" . "CC(=N)NCCCC[C@H](C(=O)O)N" . "ONYFNWIHJBLQKE-SSDOTTSWSA-N" . "InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1" . "COc1ccc2c(c1)ccc(c2)C(C(=O)O)C" . "COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C" . "CMWTZPSULFXXJA-VIFPVBQESA-N" . "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1" . "OC(=O)C(CCCNC(=N)N(C)C)N" . "OC(=O)[C@H](CCCNC(=N)N(C)C)N" . "YDGMGEXADBMOMJ-LURJTMIESA-N" . "InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1" . "OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NCc1ccccc1" . "O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NCc1ccccc1" . "GDDBIAMRTVTOBL-LSCFUAHRSA-N" . "InChI=1S/C17H18N5O6P/c23-13-14-11(7-26-29(24,25)28-14)27-17(13)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23H,6-7H2,(H,24,25)(H,18,19,20)/t11-,13-,14-,17-/m1/s1" . "ONC(=NCCCC(C(=O)O)N)N" . "ONC(=NCCCC(C(=O)O)N)N" . "FQWRAVYMZULPNK-UHFFFAOYSA-N" . "InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)" . "N#Cc1cc(c2ccncc2)c([nH]c1=O)C" . "N#Cc1cc(c2ccncc2)c([nH]c1=O)C" . "PZRHRDRVRGEVNW-UHFFFAOYSA-N" . "InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)" . "O=C(C(c1cccnc1)(C)C)c1cccnc1" . "O=C(C(c1cccnc1)(C)C)c1cccnc1" . "FJLBFSROUSIWMA-UHFFFAOYSA-N" . "InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3" . "O=C(NCCSC(=O)C(C(=O)O)C)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "O=C(NCCSC(=O)C(C(=O)O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "MZFOKIKEPGUZEN-FBMOWMAESA-N" . "InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC" . "OFIDNKMQBYGNIW-ZKWNWVNESA-N" . "InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-" . "ONC(=O)C(C(C(=O)NC(C(C)(C)C)C(=O)NC)CC(C)C)O" . "ONC(=O)[C@H]([C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC(C)C)O" . "OCSMOTCMPXTDND-OUAUKWLOSA-N" . "InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1" . "O=C(NCCSC(=O)CC(=O)O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "O=C(NCCSC(=O)CC(=O)O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "LTYOQGRJFJAKNA-DVVLENMVSA-N" . "InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCCOP(=O)(OC)F" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOP(=O)(OC)F" . "HNVKMEOEBANRAT-ZKWNWVNESA-N" . "InChI=1S/C21H36FO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-" . "OC(=O)C(Cc1ccc(c(c1)O)O)(N)C" . "OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C" . "CJCSPKMFHVPWAR-JTQLQIEISA-N" . "InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1" . "COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)C(=O)N1CCN(CC1)C" . "COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)C(=O)N1CCN(CC1)C" . "UBHKJRYGKOSQDJ-UHFFFAOYSA-N" . "InChI=1S/C23H25N3O3S/c1-25-12-14-26(15-13-25)23(27)22-24-20(16-4-8-18(28-2)9-5-16)21(30-22)17-6-10-19(29-3)11-7-17/h4-11H,12-15H2,1-3H3" . "CCCCCC(C(C=CC=CC=CC=CC(CCCC(=O)O)O)O)O" . "CCCCC[C@@H]([C@@H](/C=C/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O)O" . "UXVRTOKOJOMENI-WLPVFMORSA-N" . "InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1" . "Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O" . "Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O" . "IQPNAANSBPBGFQ-UHFFFAOYSA-N" . "InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H" . "CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)O" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)O" . "UFPQIRYSPUYQHK-WAQVJNLQSA-N" . "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1" . "COC(=O)C(CCCNC(=N)NN(=O)=O)N" . "COC(=O)[C@H](CCCNC(=N)NN(=O)=O)N" . "KCWZGJVSDFYRIX-YFKPBYRVSA-N" . "InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1" . "Clc1cccc(c1)C(n1cncc1)c1ccc2c(c1)nc[nH]2" . "Clc1cccc(c1)C(n1cncc1)c1ccc2c(c1)nc[nH]2" . "UGFHIPBXIWJXNA-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)" . "N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N" . "N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N" . "HPJKCIUCZWXJDR-UHFFFAOYSA-N" . "InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H" . "Oc1ccc(cc1)OC(P(=O)(O)O)(P(=O)(O)O)C" . "Oc1ccc(cc1)OC(P(=O)(O)O)(P(=O)(O)O)C" . "JKOCAAWWDVHWKB-UHFFFAOYSA-N" . "InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)" . "O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)Oc1ccc(cc1)[N+](=O)[O-]" . "O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)Oc1ccc(cc1)[N+](=O)[O-]" . "SEGYOKHGGFKMCX-UHFFFAOYSA-N" . "InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2" . "O=C(N1CCN(CC1)c1snc(n1)c1ccccc1)Nc1ccccc1" . "O=C(N1CCN(CC1)c1snc(n1)c1ccccc1)Nc1ccccc1" . "BHBOSTKQCZEAJM-UHFFFAOYSA-N" . "InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)" . "OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H]([C@@H]([C@@H]1O)O)O" . "INAPMGSXUVUWAF-CNWJWELYSA-N" . "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1" . "OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O" . "INAPMGSXUVUWAF-PTQMNWPWSA-N" . "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1" . "OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O" . "O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O" . "INAPMGSXUVUWAF-UOTPTPDRSA-N" . "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1" . "OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)O)OP(=O)(O)O" . "O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O" . "CIPFCGZLFXVXBG-CNWJWELYSA-N" . "InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1" . "NC(C(=O)O)CCS" . "N[C@H](C(=O)O)CCS" . "FFFHZYDWPBMWHY-VKHMYHEASA-N" . "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1" . "CCn1c(nc2c1c(OCC1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N" . "CCn1c(nc2c1c(OC[C@H]1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N" . "KGPGFQWBCSZGEL-ZDUSSCGKSA-N" . "InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1" . "OCC(CO)O" . "OCC(CO)O" . "PEDCQBHIVMGVHV-UHFFFAOYSA-N" . "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CCCN=C(N)N)CCCCN)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)C(CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CC(=O)O)CCC(=O)O)Cc1ccccc1)CCC(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C" . "UKVFVQPAANCXIL-FJVFSOETSA-N" . "InChI=1S/C186H275N51O59/c1-17-94(10)149(182(294)209-98(14)155(267)220-128(73-105-78-199-111-42-28-27-41-109(105)111)171(283)223-123(68-91(4)5)173(285)234-147(92(6)7)180(292)219-113(43-29-31-63-187)158(270)200-81-136(245)210-112(45-33-65-197-185(191)192)157(269)203-84-146(262)263)236-174(286)126(70-102-37-23-19-24-38-102)225-165(277)120(55-61-142(254)255)216-162(274)114(44-30-32-64-188)212-153(265)96(12)206-152(264)95(11)207-161(273)118(51-57-135(190)244)211-137(246)82-201-160(272)117(53-59-140(250)251)215-168(280)122(67-90(2)3)222-170(282)125(72-104-47-49-108(243)50-48-104)226-177(289)132(85-238)230-179(291)134(87-240)231-181(293)148(93(8)9)235-176(288)131(77-145(260)261)228-178(290)133(86-239)232-184(296)151(100(16)242)237-175(287)127(71-103-39-25-20-26-40-103)229-183(295)150(99(15)241)233-138(247)83-202-159(271)116(52-58-139(248)249)213-154(266)97(13)208-167(279)129(75-107-80-196-89-205-107)227-163(275)115(46-34-66-198-186(193)194)214-164(276)119(54-60-141(252)253)217-169(281)124(69-101-35-21-18-22-36-101)224-166(278)121(56-62-143(256)257)218-172(284)130(76-144(258)259)221-156(268)110(189)74-106-79-195-88-204-106/h18-28,35-42,47-50,78-80,88-100,110,112-134,147-151,199,238-243H,17,29-34,43-46,51-77,81-87,187-189H2,1-16H3,(H2,190,244)(H,195,204)(H,196,205)(H,200,270)(H,201,272)(H,202,271)(H,203,269)(H,206,264)(H,207,273)(H,208,279)(H,209,294)(H,210,245)(H,211,246)(H,212,265)(H,213,266)(H,214,276)(H,215,280)(H,216,274)(H,217,281)(H,218,284)(H,219,292)(H,220,267)(H,221,268)(H,222,282)(H,223,283)(H,224,278)(H,225,277)(H,226,289)(H,227,275)(H,228,290)(H,229,295)(H,230,291)(H,231,293)(H,232,296)(H,233,247)(H,234,285)(H,235,288)(H,236,286)(H,237,287)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,191,192,197)(H4,193,194,198)/t94-,95-,96-,97-,98-,99+,100+,110-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,147-,148-,149-,150-,151-/m0/s1" . "CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C" . "CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C" . "QMGUOJYZJKLOLH-UHFFFAOYSA-N" . "InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)" . "COc1ccc2c(c1)c(cn2CCCN(C)C)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2" . "COc1ccc2c(c1)c(cn2CCCN(C)C)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2" . "LLJJDLHGZUOMQP-UHFFFAOYSA-N" . "InChI=1S/C26H26N4O3/c1-29(2)11-6-12-30-15-20(18-13-16(33-3)9-10-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-5-4-7-17(19)21/h4-5,7-10,13-15,27H,6,11-12H2,1-3H3,(H,28,31,32)" . "C=CC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)C)C(C1C2(C)C(O)CCC1(C)C)O)O" . "C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)O)O" . "OHCQJHSOBUTRHG-KGGHGJDLSA-N" . "InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1" . "NC(C(=O)O)(CF)Cc1cnc[nH]1" . "NC(C(=O)O)(CF)Cc1cnc[nH]1" . "AJFGLTPLWPTALJ-UHFFFAOYSA-N" . "InChI=1S/C7H10FN3O2/c8-3-7(9,6(12)13)1-5-2-10-4-11-5/h2,4H,1,3,9H2,(H,10,11)(H,12,13)" . "O=c1[nH]c(=O)c2c(n1)n(CC(C(C(COP(=O)(O)O)O)O)O)c1c(n2)cc(c(c1)C)C" . "O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)c1c(n2)cc(c(c1)C)C" . "FVTCRASFADXXNN-SCRDCRAPSA-N" . "InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1" . "O=c1[nH]c(=O)c2c(n1)n(CC(C(C(COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc3c1ncnc3N)O)O)O)O)O)c1c(n2)cc(c(c1)C)C" . "O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc3c1ncnc3N)O)O)O)O)O)c1c(n2)cc(c(c1)C)C" . "VWWQXMAJTJZDQX-UYBVJOGSSA-N" . "InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1" . "Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O" . "Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O" . "XHEFDIBZLJXQHF-UHFFFAOYSA-N" . "InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H" . "O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1" . "O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1" . "NGOGFTYYXHNFQH-UHFFFAOYSA-N" . "InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2" . "O=c1ccc2c(o1)cc(c(c2)O)O" . "O=c1ccc2c(o1)cc(c(c2)O)O" . "ILEDWLMCKZNDJK-UHFFFAOYSA-N" . "InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H" . "CCCCCCC(n1cnc2c1ncnc2[NH3+])C(O)C.[Cl-]" . "CCCCCC[C@H](n1cnc2c1ncnc2[NH3+])[C@H](O)C.[Cl-]" . "VVDXNJRUNJMYOZ-DHXVBOOMSA-N" . "InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1" . "OCC1OC(C(C1O)O)n1cnc2c1cc(Cl)c(c2)Cl" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1cc(Cl)c(c2)Cl" . "XHSQDZXAVJRBMX-DDHJBXDOSA-N" . "InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1" . "CNC" . "CNC" . "ROSDSFDQCJNGOL-UHFFFAOYSA-N" . "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" . "NCCCC(C(=O)O)(C(F)F)N" . "NCCCC(C(=O)O)(C(F)F)N" . "VLCYCQAOQCDTCN-UHFFFAOYSA-N" . "InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)" . "OC(=O)c1ccc(cc1)OCCn1cncc1" . "OC(=O)c1ccc(cc1)OCCn1cncc1" . "XQGZSYKGWHUSDH-UHFFFAOYSA-N" . "InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)" . "NC(C(=O)O)CCSCC(C(=O)O)N" . "N[C@H](C(=O)O)CCSC[C@@H](C(=O)O)N" . "ILRYLPWNYFXEMH-WHFBIAKZSA-N" . "InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1" . "COC1C2OP(=O)(O)OCC2OC1n1c(Sc2ccc(cc2)Cl)nc2c1ncnc2N" . "CO[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1c(Sc2ccc(cc2)Cl)nc2c1ncnc2N" . "BCGHHRAUZWOTNH-XNIJJKJLSA-N" . "InChI=1S/C17H17ClN5O6PS/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1" . "OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "MFYSYFVPBJMHGN-ZPOLXVRWSA-N" . "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" . "O=C(c1cc2c(o1)cccc2)NCCCCN1CCOCC1" . "O=C(c1cc2c(o1)cccc2)NCCCCN1CCOCC1" . "KUJQEQAVMNFFAO-UHFFFAOYSA-N" . "InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)" . "Cc1nccn1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N" . "Cc1nccn1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N" . "VPTONMHDLLMOOV-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O2S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)" . "OC(=O)CCCCN(Cc1ccc(cc1)C(=O)O)CCc1ccccc1OCc1ccc(cc1)CCc1ccccc1" . "OC(=O)CCCCN(Cc1ccc(cc1)C(=O)O)CCc1ccccc1OCc1ccc(cc1)CCc1ccccc1" . "WPYWMXNXEZFMAK-UHFFFAOYSA-N" . "InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)" . "OC(=O)C(CSCCCCC=C(C(=O)O)NC(=O)C1CC1(C)C)N" . "OC(=O)[C@H](CSCCCC/C=C(/C(=O)O)/NC(=O)[C@H]1CC1(C)C)N" . "DHSUYTOATWAVLW-WFVMDLQDSA-N" . "InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1" . "Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F" . "Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F" . "RONQPWQYDRPRGG-UHFFFAOYSA-N" . "InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)" . "N#CC(=Cc1ccc(c(c1)O)O)C(=O)OCC=Cc1ccccc1" . "N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)OC/C=C/c1ccccc1" . "XGHYFEJMJXGPGN-UYHGDYIZSA-N" . "InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+" . "CCCCCCCCCCCCCCCNC(=O)C1CCCCC1" . "CCCCCCCCCCCCCCCNC(=O)C1CCCCC1" . "VMFXYTSKMWPHQH-UHFFFAOYSA-N" . "InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-22(24)21-18-15-14-16-19-21/h21H,2-20H2,1H3,(H,23,24)" . "NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C" . "NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C" . "TZFNLOMSOLWIDK-JTQLQIEISA-N" . "InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1" . "SCC(C(=O)N1CCCC1C(=O)O)C" . "SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C" . "FAKRSMQSSFJEIM-RQJHMYQMSA-N" . "InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1" . "OC(=O)C1CCc2c1ccc(c2)OCCn1cncc1" . "OC(=O)C1CCc2c1ccc(c2)OCCn1cncc1" . "IRWWXLHSNMVHNY-UHFFFAOYSA-N" . "InChI=1S/C15H16N2O3/c18-15(19)14-3-1-11-9-12(2-4-13(11)14)20-8-7-17-6-5-16-10-17/h2,4-6,9-10,14H,1,3,7-8H2,(H,18,19)" . "COC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c(c3c(c(c2O)OC)CC(OC(=O)Oc1ccc(cc1)O)C)c(CC(OC(=O)c1ccccc1)C)c(c4O)OC)OC" . "COC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c(c3c(c(c2O)OC)C[C@H](OC(=O)Oc1ccc(cc1)O)C)c(C[C@H](OC(=O)c1ccccc1)C)c(c4O)OC)OC" . "LSUTUUOITDQYNO-NHCUHLMSSA-N" . "InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3/t20-,21-/m1/s1" . "OC(=O)C=Cc1ccc(c(c1)O)O" . "OC(=O)/C=C/c1ccc(c(c1)O)O" . "QAIPRVGONGVQAS-DUXPYHPUSA-N" . "InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+" . "Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-]" . "Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-]" . "IFIUFCJFLGCQPH-UHFFFAOYSA-N" . "InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3" . "C=CC1=C(C)C(=NC1=O)C=c1[nH]c(=Cc2[nH]c(c(c2CCC(=O)O)C)C=C2NC(=O)C(=C2C=C)C)c(c1C)CCC(=O)O" . "C=CC1=C(C)C(=NC1=O)/C=c/1/[nH]/c(=C/c2[nH]c(c(c2CCC(=O)O)C)/C=C/2/NC(=O)C(=C2C=C)C)/c(c1C)CCC(=O)O" . "RCNSAJSGRJSBKK-YKSNQIBWSA-N" . "InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14-,28-15-" . "OC(C(=O)NC(C(=O)O)CC(C)C)C(Cc1ccccc1)N" . "O[C@H](C(=O)N[C@@H](C(=O)O)CC(C)C)[C@@H](Cc1ccccc1)N" . "VGGGPCQERPFHOB-MCIONIFRSA-N" . "InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14+/m1/s1" . "OCC(C(=O)NNCc1ccc(c(c1O)O)O)N" . "OCC(C(=O)NNCc1ccc(c(c1O)O)O)N" . "BNQDCRGUHNALGH-UHFFFAOYSA-N" . "InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)" . "BrC=C1CCC(C(=O)O1)c1cccc2c1cccc2" . "Br/C=C/1/CCC(C(=O)O1)c1cccc2c1cccc2" . "BYUCSFWXCMTYOI-ZRDIBKRKSA-N" . "InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+" . "OC(=O)C(c1ccc(cc1)OCc1ccc2c(n1)cccc2)C1CCCC1" . "OC(=O)[C@@H](c1ccc(cc1)OCc1ccc2c(n1)cccc2)C1CCCC1" . "ZEYYDOLCHFETHQ-JOCHJYFZSA-N" . "InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1" . "COc1cc(ccc1OC)Cc1nc(=O)c2n([nH]1)c(nc2C)C(C(O)C)CCCc1ccccc1" . "COc1cc(ccc1OC)Cc1nc(=O)c2n([nH]1)c(nc2C)[C@H]([C@H](O)C)CCCc1ccccc1" . "MYTWFJKBZGMYCS-NQIIRXRSSA-N" . "InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1" . "Fc1ccccc1Cn1nc(c2c1nccc2)c1ncc(c(n1)N)C1CC1" . "Fc1ccccc1Cn1nc(c2c1nccc2)c1ncc(c(n1)N)C1CC1" . "ATOAHNRJAXSBOR-UHFFFAOYSA-N" . "InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)" . "CNC(Cc1ccccc1)C" . "CNC(Cc1ccccc1)C" . "MYWUZJCMWCOHBA-UHFFFAOYSA-N" . "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3" . "CNC(=O)C(NC(=O)C(C(C(=O)NO)CSc1cccs1)CC(C)C)Cc1ccccc1" . "CNC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C(=O)NO)CSc1cccs1)CC(C)C)Cc1ccccc1" . "XFILPEOLDIKJHX-QYZOEREBSA-N" . "InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1" . "Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1" . "Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1" . "FXNFHKRTJBSTCS-UHFFFAOYSA-N" . "InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H" . "C=CCNC(=O)c1cc(cc2c1[nH]c(Nc1ccc(c(c1)Cl)Cl)nc2=O)[N+](=O)[O-]" . "C=CCNC(=O)c1cc(cc2c1[nH]c(Nc1ccc(c(c1)Cl)Cl)nc2=O)[N+](=O)[O-]" . "VUBILPOZTRGZJK-UHFFFAOYSA-N" . "InChI=1S/C18H13Cl2N5O4/c1-2-5-21-16(26)11-7-10(25(28)29)8-12-15(11)23-18(24-17(12)27)22-9-3-4-13(19)14(20)6-9/h2-4,6-8H,1,5H2,(H,21,26)(H2,22,23,24,27)" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)C(F)(F)F" . "PLWROONZUDKYKG-DOFZRALJSA-N" . "InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-" . "Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)NS(=O)(=O)c1ccc(s1)Cl" . "Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)NS(=O)(=O)c1ccc(s1)Cl" . "PQHLRGARXNPFCF-UHFFFAOYSA-N" . "InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)" . "ONC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)OC(C)C" . "ONC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)OC(C)C" . "PHGLPDURIUEELR-UHFFFAOYSA-N" . "InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)" . "NCCCON" . "NCCCON" . "VSZFWDPIWSPZON-UHFFFAOYSA-N" . "InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]cn1)Cc1ccccc1)Cc1c[nH]cn1)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O" . "LJXGOQOPNPFXFT-JWRYNVNRSA-N" . "InChI=1S/C56H78N16O13/c1-5-31(4)46(71-50(79)40(22-33-15-17-36(73)18-16-33)67-52(81)45(30(2)3)70-48(77)38(13-9-19-62-56(58)59)65-47(76)37(57)25-44(74)75)53(82)68-41(23-34-26-60-28-63-34)54(83)72-20-10-14-43(72)51(80)66-39(21-32-11-7-6-8-12-32)49(78)69-42(55(84)85)24-35-27-61-29-64-35/h6-8,11-12,15-18,26-31,37-43,45-46,73H,5,9-10,13-14,19-25,57H2,1-4H3,(H,60,63)(H,61,64)(H,65,76)(H,66,80)(H,67,81)(H,68,82)(H,69,78)(H,70,77)(H,71,79)(H,74,75)(H,84,85)(H4,58,59,62)/t31-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1" . "N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C" . "N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C" . "YBBLVLTVTVSKRW-UHFFFAOYSA-N" . "InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3" . "ONCC[S+](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)C" . "ONCC[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)C" . "VJHFTTWXKUEKQP-VCZNENMGSA-N" . "InChI=1S/C13H21N6O4S/c1-24(3-2-18-22)4-7-9(20)10(21)13(23-7)19-6-17-8-11(14)15-5-16-12(8)19/h5-7,9-10,13,18,20-22H,2-4H2,1H3,(H2,14,15,16)/q+1/t7-,9-,10-,13-,24?/m1/s1" . "OCC1OC(C(C1O)O)n1cnc(c1N)C(=O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(c1N)C(=O)N" . "RTRQQBHATOEIAF-UUOKFMHZSA-N" . "InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1" . "Brc1cccc(c1)c1cc(nc2c1c(N)ncn2)c1ccc(nc1)N1CCOCC1" . "Brc1cccc(c1)c1cc(nc2c1c(N)ncn2)c1ccc(nc1)N1CCOCC1" . "RQCXKDWOCUJWQZ-UHFFFAOYSA-N" . "InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)" . "NC1CC(C(C1O)O)n1cc(c2c1ncnc2N)I" . "N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)I" . "NSXJHIFQIZKLGF-LWIVVEGESA-N" . "InChI=1S/C11H14IN5O2/c12-4-2-17(6-1-5(13)8(18)9(6)19)11-7(4)10(14)15-3-16-11/h2-3,5-6,8-9,18-19H,1,13H2,(H2,14,15,16)/t5-,6+,8+,9-/m0/s1" . "CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O" . "CCCCCC(/C=C/[C@H]1[C@@H](O)CC(C1C/C=C/CCCC(=O)O)O)O" . "PXGPLTODNUVGFL-CXMQRTRKSA-N" . "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15?,16?,17-,18?,19+/m1/s1" . "[O-][N+](=O)c1cccc2c1[nH]nc2" . "[O-][N+](=O)c1cccc2c1[nH]nc2" . "PQCAUHUKTBHUSA-UHFFFAOYSA-N" . "InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)" . "OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O" . "DJJCXFVJDGTHFX-XVFCMESISA-N" . "InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" . "OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O" . "GRSZFWQUAKGDAV-KQYNXXCUSA-N" . "InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" . "OC1C(O)C(OC1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O" . "RQFCJASXJCIDSX-UUOKFMHZSA-N" . "InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1" . "OC1CC(OC1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O" . "O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O" . "LTFMZDNNPPEQNG-KVQBGUIXSA-N" . "InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1" . "[NH3+]CCC[S+](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)C" . "[NH3+]CCC[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)C" . "ZUNBITIXDCPNSD-LSRJEVITSA-O" . "InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/p+1/t8-,10-,11-,14-,24?/m1/s1" . "OC1CC(OC1COP(=O)(O)O)n1cnc2c1ncnc2N" . "O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N" . "KHWCHTKSEGGWEX-RRKCRQDMSA-N" . "InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1" . "OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1O)O)O" . "O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@H]([C@H]1O)O)O" . "MCKAJXMRULSUKI-UZAAGFTCSA-N" . "InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1" . "OC(=O)C(=O)CS" . "OC(=O)C(=O)CS" . "OJOLFAIGOXZBCI-UHFFFAOYSA-N" . "InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)" . "OC(=O)C(Cc1ccc(c(c1)I)O)N" . "OC(=O)C(Cc1ccc(c(c1)I)O)N" . "UQTZMGFTRHFAAM-UHFFFAOYSA-N" . "InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)" . "NNCc1cccc(c1)O" . "NNCc1cccc(c1)O" . "OFKWWALNMPEOSZ-UHFFFAOYSA-N" . "InChI=1S/C7H10N2O/c8-9-5-6-2-1-3-7(10)4-6/h1-4,9-10H,5,8H2" . "OCC1OC(C(C1O)O)n1cnc2c1ccnc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ccnc2N" . "DBZQFUNLCALWDY-PNHWDRBUSA-N" . "InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1" . "OC(=O)C(Cc1ccc(c(c1)Cl)O)N" . "OC(=O)C(Cc1ccc(c(c1)Cl)O)N" . "ACWBBAGYTKWBCD-UHFFFAOYSA-N" . "InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)" . "[O-][N+](=O)c1cccc2c1n[nH]c2Br" . "[O-][N+](=O)c1cccc2c1n[nH]c2Br" . "NFSTZPMYAZRZPC-UHFFFAOYSA-N" . "InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)" . "OCC(C(C(C(C(=O)[O-])O)O)O)O" . "OCC(C(C(C(C(=O)[O-])O)O)O)O" . "RGHNJXZEOKUKBD-UHFFFAOYSA-M" . "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1" . "CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO" . "CCCCCCCC/C=C/CCCCCCCC(=O)OC(CO)CO" . "UPWGQKDVAURUGE-KTKRTIGZSA-N" . "InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-" . "Cc1ccnc(c1)N" . "Cc1ccnc(c1)N" . "ORLGLBZRQYOWNA-UHFFFAOYSA-N" . "InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)" . "OCC1OC(CC1O)n1cnc2c1[nH]cnc2=O" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]cnc2=O" . "VGONTNSXDCQUGY-RRKCRQDMSA-N" . "InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1" . "OCC1OC(CC1O)n1cnc2c1ncnc2N" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N" . "OLXZPDWKRNYJJZ-RRKCRQDMSA-N" . "InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1" . "OC1CC(OC1C)n1cnc2c1ncnc2N" . "O[C@H]1C[C@@H](O[C@@H]1C)n1cnc2c1ncnc2N" . "FFHPXOJTVQDVMO-DSYKOEDSSA-N" . "InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)/t5-,6+,7-/m1/s1" . "OB(CCCCC(C(=O)O)N)O" . "OB(CCCC[C@@H](C(=O)O)N)O" . "HFKKMXCOJQIYAH-YFKPBYRVSA-N" . "InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1" . "CCC(C=CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O)O" . "CC[C@@H](/C=C/C=C/C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O)O" . "AOPOCGPBAIARAV-JJVMZPRHSA-N" . "InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18-,19+/m0/s1" . "CNCC(=O)O" . "CNCC(=O)O" . "FSYKKLYZXJSNPZ-UHFFFAOYSA-N" . "InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)" . "[O-]C(=O)C(CC(C(=O)[O-])N)C" . "[O-]C(=O)[C@@H](C[C@@H](C(=O)[O-])N)C" . "KRKRAOXTGDJWNI-DMTCNVIQSA-L" . "InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-2/t3-,4+/m1/s1" . "CCC(C=CC=CCC=CCC=CCC=CCCCC(=O)O)O" . "CC[C@@H](/C=C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O" . "LRWYBGFSVUBWMO-OKIFYYRFSA-N" . "InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1" . "O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(O)C(=O)C)C)C" . "O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C" . "DBPWSSGDRRHUNT-CEGNMAFCSA-N" . "InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1" . "OC1CCC2(C(=CCC3C2CCC2(C3CCC2(O)C(=O)C)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@]2(O)C(=O)C)C)C1)C" . "JERGUCIJOXJXHF-TVWVXWENSA-N" . "InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1" . "NCc1cccc(c1)CN=C(N)C" . "NCc1cccc(c1)C/N=C(/N)/C" . "RODUKNYOEVZQPR-UHFFFAOYSA-N" . "InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)" . "CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OO" . "CCCCC/C=C/C[C@H](/C=C/C=C/C/C=C/CCCC(=O)O)OO" . "ZIOZYRSDNLNNNJ-ZYBDYUKJSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1" . "OCC(=O)C1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "WHBHBVVOGNECLV-OBQKJFGGSA-N" . "InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1" . "OC1C(OP(=O)(O)O)C(O)C(C(C1OP(=O)(O)O)O)O" . "OC1[C@H](OP(=O)(O)O)[C@@H](O)C([C@H]([C@@H]1OP(=O)(O)O)O)O" . "PUVHMWJJTITUGO-WJPCITMWSA-N" . "InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1?,2-,3+,4?,5+,6-" . "OC1C(OP(=O)([O-])[O-])C(O)C(C(C1O)OP(=O)([O-])[O-])O" . "O[C@@H]1C(OP(=O)([O-])[O-])[C@H](O)[C@H](C([C@@H]1O)OP(=O)([O-])[O-])O" . "PELZSPZCXGTUMR-MBEOBJKWSA-J" . "InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5?,6?/m1/s1" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F" . "ZIIUUSVHCHPIQD-UHFFFAOYSA-N" . "InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3" . "OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N" . "IVOMOUWHDPKRLL-KQYNXXCUSA-N" . "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" . "CCCC(c1ccc(c(c1)O)O)C(=O)N" . "CCCC(c1ccc(c(c1)O)O)C(=O)N" . "GDXQWRJYXZXWMT-UHFFFAOYSA-N" . "InChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)" . "Oc1ccc(cc1)CC(C(=O)O)(N)C" . "Oc1ccc(cc1)CC(C(=O)O)(N)C" . "NHTGHBARYWONDQ-UHFFFAOYSA-N" . "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)" . "OC1C(COP(=O)(CP(=O)(O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "OLCWZBFDIYXLAA-IOSLPCCCSA-N" . "InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1" . "ON=C(NCCC(C(=O)O)N)N" . "O/N=C(/NCC[C@@H](C(=O)O)N)/N" . "KOBHCUDVWOTEKO-VKHMYHEASA-N" . "InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1" . "COc1cc2c(cc1OC)CC(n1c2cc2c1nc1c(n2)cccc1)(C)C" . "COc1cc2c(cc1OC)CC(n1c2cc2c1nc1c(n2)cccc1)(C)C" . "HIXSPVQXXDULHS-UHFFFAOYSA-N" . "InChI=1S/C22H21N3O2/c1-22(2)12-13-9-19(26-3)20(27-4)10-14(13)18-11-17-21(25(18)22)24-16-8-6-5-7-15(16)23-17/h5-11H,12H2,1-4H3" . "CN1CCN(CC1)C(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(cc2)S(=O)(=O)N(c1cccc(c1)Cl)C" . "CN1CCN(CC1)C(=O)c1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cc(cc2)S(=O)(=O)N(c1cccc(c1)Cl)C" . "FPYJSJDOHRDAMT-KQWNVCNZSA-N" . "InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-" . "O=C1Nc2c(C1=Cc1[nH]c(cc1C)C)cccc2" . "O=C1Nc2c(/C/1=C/c1[nH]c(cc1C)C)cccc2" . "WUWDLXZGHZSWQZ-WQLSENKSSA-N" . "InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-" . "COC1OC(CO)C(C(C1O)O)O" . "CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O" . "HOVAGTYPODGVJG-ZFYZTMLRSA-N" . "InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1" . "NC1CCN(CC1)c1cccc(n1)Cl" . "NC1CCN(CC1)c1cccc(n1)Cl" . "WPVVMKYQOMJPIN-UHFFFAOYSA-N" . "InChI=1S/C10H14ClN3/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14/h1-3,8H,4-7,12H2" . "NN=CN1CCCC(C1)CC(=O)NC(C(=O)OC)Cc1ccc(cc1)C#Cc1ccccc1" . "NN=CN1CCC[C@@H](C1)CC(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)C#Cc1ccccc1" . "YQDXLNDLKSCQKX-RPWUZVMVSA-N" . "InChI=1S/C26H30N4O3/c1-33-26(32)24(29-25(31)17-23-8-5-15-30(18-23)19-28-27)16-22-13-11-21(12-14-22)10-9-20-6-3-2-4-7-20/h2-4,6-7,11-14,19,23-24H,5,8,15-18,27H2,1H3,(H,29,31)/t23-,24+/m1/s1" . "CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N" . "CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N" . "BXNMTOQRYBFHNZ-UHFFFAOYSA-N" . "InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)" . "COc1ccc(cc1NC(=O)Nc1cc(C)nc2c1cccc2)Cl" . "COc1ccc(cc1NC(=O)Nc1cc(C)nc2c1cccc2)Cl" . "YBLWOZUPHDKFOT-UHFFFAOYSA-N" . "InChI=1S/C18H16ClN3O2/c1-11-9-15(13-5-3-4-6-14(13)20-11)21-18(23)22-16-10-12(19)7-8-17(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)" . "OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O.Nc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(O)O" . "OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O.Nc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(O)O" . "ACEVNMQDUCOKHT-UHFFFAOYSA-N" . "InChI=1S/C10H13N4O8P.C9H14N3O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)" . "CCN(CCCCNc1ncc2c(n1)nc(c(c2)c1cc(OC)cc(c1)OC)NC(=O)NC(C)(C)C)CC" . "CCN(CCCCNc1ncc2c(n1)nc(c(c2)c1cc(OC)cc(c1)OC)NC(=O)NC(C)(C)C)CC" . "DXCUKNQANPLTEJ-UHFFFAOYSA-N" . "InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)" . "OCC1OC(O)C(C(C1O)OC(C(=O)NC(C(=O)NC(C(=O)N)CCC(=O)O)C)C)NC(=O)C" . "OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)CCC(=O)O)C)C)NC(=O)C" . "BSOQXXWZTUDTEL-ZUYCGGNHSA-N" . "InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1" . "NC(C(=O)O)CCCC(C(=O)O)N" . "N[C@H](C(=O)O)CCC[C@H](C(=O)O)N" . "GMKMEZVLHJARHF-SYDPRGILSA-N" . "InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+" . "CCC(C(N1CCC(C1=O)NC(=O)Cc1ccc(cc1)NC(=O)c1cnc2c(n1)cccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)CCCNC(=N)N)CC(=O)O)C" . "CC[C@@H]([C@H](N1CC[C@H](C1=O)NC(=O)Cc1ccc(cc1)NC(=O)c1cnc2c(n1)cccc2)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)CCCNC(=N)N)CC(=O)O)C" . "VINFYKMOVBYUSF-ZCWPROOASA-N" . "InChI=1S/C43H58N12O9/c1-5-23(3)35(37(44)59)54-38(60)29(12-9-18-47-43(45)46)52-39(61)31(21-34(57)58)53-41(63)36(24(4)6-2)55-19-17-30(42(55)64)51-33(56)20-25-13-15-26(16-14-25)49-40(62)32-22-48-27-10-7-8-11-28(27)50-32/h7-8,10-11,13-16,22-24,29-31,35-36H,5-6,9,12,17-21H2,1-4H3,(H2,44,59)(H,49,62)(H,51,56)(H,52,61)(H,53,63)(H,54,60)(H,57,58)(H4,45,46,47)/t23-,24-,29+,30+,31-,35-,36-/m0/s1" . "C=CCn1c(=O)n(c2c1c(=O)nc([nH]2)N)C1OC(C(C1O)O)CO" . "C=CCn1c(=O)n(c2c1c(=O)nc([nH]2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO" . "VDCRFBBZFHHYGT-IOSLPCCCSA-N" . "InChI=1S/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1" . "OC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC3=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CSSC[C@@H](C(=O)N2)N)CC(=O)N)CCC4" . "C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(=O)N)Cc1ccc(cc1)O)CCC(=O)O" . "KXGCNMMJRFDFNR-WDRJZQOASA-N" . "InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1" . "CC(Cn1cnc2c1c1ccccc1nc2N)C" . "CC(Cn1cnc2c1c1ccccc1nc2N)C" . "DOUYETYNHWVLEO-UHFFFAOYSA-N" . "InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)" . "CC(C(C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O)N)C" . "CC([C@@H](C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O)N)C" . "HDOVUKNUBWVHOX-QMMMGPOBSA-N" . "InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1" . "OCC1OC(OC2C(OC(C(C2O)O)OC2C(NC(=O)C)C(O)OC(C2O)CO)C(=O)O)C(C(C1O)OC1OC(C(=O)O)C(C(C1O)O)O)NC(=O)C.[Na+]" . "OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]2O)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)NC(=O)C.[Na+]" . "YWIVKILSMZOHHF-QJZPQSOGSA-N" . "InChI=1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1" . "Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1csc(n1)CNCCS(=O)(=O)C.Cl.Cl" . "Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1csc(n1)CNCCS(=O)(=O)C.Cl.Cl" . "WIMITXDBYLKRKB-UHFFFAOYSA-N" . "InChI=1S/C28H25ClFN5O3S2.2ClH/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18;;/h2-8,11-13,16-17,31H,9-10,14-15H2,1H3,(H,32,33,34);2*1H" . "O=C1Nc2c(C1=Cc1cn(c3c1cccc3)C)nccc2.Cl" . "O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)C)nccc2.Cl" . "GXUJPQDCLCDKLU-CHHCPSLASA-N" . "InChI=1S/C17H13N3O.ClH/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16;/h2-10H,1H3,(H,19,21);1H/b13-9-;" . "COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F" . "XGALLCVXEZPNRQ-UHFFFAOYSA-N" . "InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)" . "COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C" . "COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C" . "AAKJLRGGTJKAMG-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)" . "CCCCCCCCCCOC1C(O)C(COC2OC(COC)C(C(C2NC(=O)CCCCCCCCCC=CCCCCCC)OCCC(CCCCCCC)OC)OP(=O)(O)O)OC(C1NC(=O)CC(=O)CCCCCCCCCCC)OP(=O)(O)O" . "CCCCCCCCCCO[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](COC)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC/C=C/CCCCCC)OCC[C@@H](CCCCCCC)OC)OP(=O)(O)O)O[C@@H]([C@@H]1NC(=O)CC(=O)CCCCCCCCCCC)OP(=O)(O)O" . "BPSMYQFMCXXNPC-MFCPCZTFSA-N" . "InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1" . "C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1" . "C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1" . "XHBVYDAKJHETMP-UHFFFAOYSA-N" . "InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2" . "Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "KTEIFNKAUNYNJU-GFCCVEGCSA-N" . "InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1" . "ClC(C(=O)[O-])Cl" . "ClC(C(=O)[O-])Cl" . "JXTHNDFMNIQAHM-UHFFFAOYSA-M" . "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NCC(CC)C)CCCNC(=N)N)CC(=O)O)NC(=O)C(NC(=O)Cc1ccc(cc1)NC(=O)c1ccc2c(c1)cccc2)CCCNC(=N)C)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC[C@H](CC)C)CCCNC(=N)N)CC(=O)O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)c1ccc2c(c1)cccc2)CCCNC(=N)C)C" . "SSSOLDGLOKWDSV-VLDRZRDYSA-N" . "InChI=1S/C47H67N11O8/c1-6-28(3)27-53-43(63)36(14-11-23-52-47(49)50)56-45(65)38(26-40(60)61)57-46(66)41(29(4)7-2)58-44(64)37(15-10-22-51-30(5)48)55-39(59)24-31-16-20-35(21-17-31)54-42(62)34-19-18-32-12-8-9-13-33(32)25-34/h8-9,12-13,16-21,25,28-29,36-38,41H,6-7,10-11,14-15,22-24,26-27H2,1-5H3,(H2,48,51)(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,49,50,52)/t28-,29-,36-,37-,38-,41-/m0/s1" . "N#CC(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C(=S)N" . "N#C/C(=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=S)N" . "XRZYELWZLNAXGE-KPKJPENVSA-N" . "InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+" . "COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl" . "COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl" . "GFNNBHLJANVSQV-UHFFFAOYSA-N" . "InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)" . "ON=C1C(=C2C(=O)Nc3c2cc(F)cc3)Nc2c1cccc2" . "O/N=C/1/C(=C/2/C(=O)Nc3c2cc(F)cc3)/Nc2c1cccc2" . "RJIBTAMXAXHIAN-IOJOKMQUSA-N" . "InChI=1S/C16H10FN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18,22H,(H,19,21)/b15-13+,20-14+" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2N" . "OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1ncnc2N" . "OIRDTQYFTABQOQ-UHTZMRCNSA-N" . "InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1" . "CC1(C)c2c3ccccc3ccc2[N+](=C1C=CC=CC=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)c1ccccc1cc2)CCCCS(=O)(=O)[O-].[Na+]" . "CC1(C)c2c3ccccc3ccc2[N+](=C1C=CC=CC=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)c1ccccc1cc2)CCCCS(=O)(=O)[O-].[Na+]" . "MOFVSTNWEDAEEK-UHFFFAOYSA-M" . "InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1" . "OCCN1CC(O)C(C(C1CO)O)O" . "OCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O" . "IBAQFPQHRJAVAV-ULAWRXDQSA-N" . "InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1" . "CCCCN1CC(O)C(C(C1CO)O)O" . "CCCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O" . "UQRORFVVSGFNRO-UTINFBMNSA-N" . "InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1" . "OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O" . "OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O" . "NCEXYHBECQHGNR-UHFFFAOYSA-N" . "InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)" . "OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N" . "OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N" . "ZZUFCTLCJUWOSV-UHFFFAOYSA-N" . "InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)" . "CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N" . "CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N" . "AQCHWTWZEMGIFD-UHFFFAOYSA-N" . "InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)" . "CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O" . "CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O" . "MAEIEVLCKWDQJH-UHFFFAOYSA-N" . "InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)" . "Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N" . "Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N" . "JZUFKLXOESDKRF-UHFFFAOYSA-N" . "InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)" . "Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N" . "Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N" . "JBMKAUGHUNFTOL-UHFFFAOYSA-N" . "InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)" . "COc1cc2c(cc1OC)CCN1C2CC(=O)C(C1)CC(C)C" . "COc1cc2c(cc1OC)CCN1C2CC(=O)C(C1)CC(C)C" . "MKJIEFSOBYUXJB-UHFFFAOYSA-N" . "InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3" . "OCC1CCC(O1)n1cnc2c1[nH]cnc2=O" . "OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O" . "BXZVVICBKDXVGW-NKWVEPMBSA-N" . "InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1" . "NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C" . "N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C" . "ZAIPMKNFIOOWCQ-UEKVPHQBSA-N" . "InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1" . "O=C(C(c1ccc(cc1)O)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C" . "O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C" . "BOEGTKLJZSQCCD-UEKVPHQBSA-N" . "InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1" . "O=C(C(C1=CCC=CC1)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C" . "O=C([C@@H](C1=CCC=CC1)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C" . "RDLPVSKMFDYCOR-UEKVPHQBSA-N" . "InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1" . "OCCOCn1cnc2c1nc(N)[nH]c2=O" . "OCCOCn1cnc2c1nc(N)[nH]c2=O" . "MKUXAQIIEYXACX-UHFFFAOYSA-N" . "InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)" . "Nc1ccn(c(=O)n1)C1CCC(O1)CO" . "Nc1ccn(c(=O)n1)[C@H]1CC[C@H](O1)CO" . "WREGKURFCTUGRC-POYBYMJQSA-N" . "InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1" . "OCC1OC(C(C1O)O)n1ccc(nc1=O)N" . "OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N" . "UHDGCWIWMRVCDJ-CCXZUQQUSA-N" . "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1" . "O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1" . "O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1" . "XTYGFVVANLMBHE-UHFFFAOYSA-N" . "InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H" . "OCC12C(O)CC(CC2(O)CCC2C1C(O)CC1(C2(O)CCC1C1=CC(=O)OC1)C)OC1OC(C)C(C(C1O)O)O" . "OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O" . "LPMXVESGRSUGHW-HBYQJFLCSA-N" . "InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1" . "COc1ccc2c(c1)[nH]c1c2CCN2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC" . "COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC" . "QEVHRUUCFGRFIF-MDEJGZGSSA-N" . "InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1" . "OC(=O)CCCCC1SSCC1" . "OC(=O)CCCC[C@H]1SSCC1" . "AGBQKNBQESQNJD-SSDOTTSWSA-N" . "InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1" . "NC(C=C)CCC(=O)O" . "NC(C=C)CCC(=O)O" . "PJDFLNIOAUIZSL-UHFFFAOYSA-N" . "InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)" . "OC(=O)C(c1cccc(c1)Oc1ccccc1)C" . "OC(=O)C(c1cccc(c1)Oc1ccccc1)C" . "RDJGLLICXDHJDY-UHFFFAOYSA-N" . "InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)" . "OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C" . "OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C" . "RWTNPBWLLIMQHL-UHFFFAOYSA-N" . "InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)" . "OC(=O)C1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C" . "OC(=O)[C@@H]1CCCN(C1)CC/C=C(/c1sccc1C)/c1sccc1C" . "PBJUNZJWGZTSKL-MRXNPFEDSA-N" . "InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1" . "O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N" . "O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N" . "VVIAGPKUTFNRDU-ABLWVSNPSA-N" . "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C" . "FBOZXECLQNJBKD-ZDUSSCGKSA-N" . "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1" . "CSCCC(C(=O)O)N" . "CSCC[C@@H](C(=O)O)N" . "FFEARJCKVFRZRR-BYPYZUCNSA-N" . "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" . "NC(=O)CC(C(=O)NC(C(CN1CC2CCCCC2CC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)c1ccc2c(n1)cccc2" . "NC(=O)C[C@@H](C(=O)N[C@H]([C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)c1ccc2c(n1)cccc2" . "QWAXKHKRTORLEM-UGJKXSETSA-N" . "InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1" . "COCCCOc1cc(ccc1OC)CC(C(C)C)CC(C(CC(C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N" . "COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N" . "UXOWGYHJODZGMF-QORCZRPOSA-N" . "InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1" . "CCN(CCNC(=O)c1ccc(cc1)N)CC" . "CCN(CCNC(=O)c1ccc(cc1)N)CC" . "REQCZEXYDRLIBE-UHFFFAOYSA-N" . "InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)" . "O=C(c1ccc(cc1)N)NCC(=O)O" . "O=C(c1ccc(cc1)N)NCC(=O)O" . "HSMNQINEKMPTIC-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)" . "OC(=O)C(=O)C" . "OC(=O)C(=O)C" . "LCTONWCANYUPML-UHFFFAOYSA-N" . "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)" . "CCOc1ccccc1OC(c1ccccc1)C1OCCNC1" . "CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1OCCNC1" . "CBQGYUDMJHNJBX-OALUTQOASA-N" . "InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1" . "N#Cc1cccc(c1)C#Cc1csc(n1)C" . "N#Cc1cccc(c1)C#Cc1csc(n1)C" . "GRUPMMBRLDBTDD-UHFFFAOYSA-N" . "InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3" . "OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO" . "OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO" . "IZEKFCXSFNUWAM-UHFFFAOYSA-N" . "InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2" . "OCC1OC(C(C1O)O)n1cnc2c1nc(F)nc2N" . "OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(F)nc2N" . "HBUBKKRHXORPQB-FJFJXFQQSA-N" . "InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1" . "OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O" . "ODKNJVUHOIMIIZ-RRKCRQDMSA-N" . "InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1" . "CCc1nc(N)nc(c1c1ccc(cc1)Cl)N" . "CCc1nc(N)nc(c1c1ccc(cc1)Cl)N" . "WKSAUQYGYAYLPV-UHFFFAOYSA-N" . "InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)" . "OCC1OC(CC1O)n1cnc2c1nc(Cl)nc2N" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Cl)nc2N" . "PTOAARAWEBMLNO-KVQBGUIXSA-N" . "InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1" . "CNC1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl" . "CN[C@H]1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl" . "VGKDLMBJGBXTGI-SJCJKPOMSA-N" . "InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1" . "Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12" . "Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12" . "ZPXSCAKFGYXMGA-UHFFFAOYSA-N" . "InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2" . "OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C" . "OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C" . "DKYWVDODHFEZIM-UHFFFAOYSA-N" . "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)" . "NC(C(=O)O)C(C)C" . "N[C@H](C(=O)O)C(C)C" . "KZSNJWFQEVHDMF-BYPYZUCNSA-N" . "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1" . "OCC1OC(C(C1O)(F)F)n1ccc(nc1=O)N" . "OC[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)N" . "SDUQYLNIPVEERB-QPPQHZFASA-N" . "InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1" . "CN1CC(c2ccccc2)c2c(C1)c(N)ccc2" . "CN1CC(c2ccccc2)c2c(C1)c(N)ccc2" . "XXPANQJNYNUNES-UHFFFAOYSA-N" . "InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3" . "OC(=O)C(Cc1ccc(cc1)O)N" . "OC(=O)[C@H](Cc1ccc(cc1)O)N" . "OUYCCCASQSFEME-QMMMGPOBSA-N" . "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1" . "Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2" . "Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2" . "AHOUBRCZNHFOSL-YOEHRIQHSA-N" . "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1" . "Fc1c[nH]c(=O)[nH]c1=O" . "Fc1c[nH]c(=O)[nH]c1=O" . "GHASVSINZRGABV-UHFFFAOYSA-N" . "InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)" . "Nc1ncnc2c1[nH]cn2" . "Nc1ncnc2c1[nH]cn2" . "GFFGJBXGBJISGV-UHFFFAOYSA-N" . "InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)" . "OC(=O)CCCCC1SCC2C1NC(=O)N2" . "OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2" . "YBJHBAHKTGYVGT-ZKWXMUAHSA-N" . "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1" . "[O-]C(=O)C(=O)CBr" . "[O-]C(=O)C(=O)CBr" . "PRRZDZJYSJLDBS-UHFFFAOYSA-M" . "InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1" . "C[S+](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)CCC(C(=O)O)N" . "C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N" . "MEFKEPWMEQBLKI-AIRLBKTGSA-O" . "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1" . "CC(C(C(=O)O)N)O" . "C[C@H]([C@@H](C(=O)O)N)O" . "AYFVYJQAPQTCCC-GBXIJSLDSA-N" . "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1" . "NCC(=O)CCC(=O)O" . "NCC(=O)CCC(=O)O" . "ZGXJTSGNIOSYLO-UHFFFAOYSA-N" . "InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)" . "NC(=N)N" . "NC(=N)N" . "ZRALSGWEFCBTJO-UHFFFAOYSA-N" . "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)" . "NC(C(=O)O)CS" . "N[C@H](C(=O)O)CS" . "XUJNEKJLAYXESH-REOHCLBHSA-N" . "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" . "OCC(C1OC(=O)C(=C1O)O)O" . "OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O" . "CIWBSHSKHKDKBQ-JLAZNSOCSA-N" . "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" . "OC(C[N+](C)(C)C)CC(=O)[O-]" . "O[C@@H](C[N+](C)(C)C)CC(=O)[O-]" . "PHIQHXFUZVPYII-ZCFIWIBFSA-N" . "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1" . "CC(=O)CCC[n+]1ccc(cc1)C=Cc1ccc(cc1)N(C)C" . "CC(=O)CCC[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(C)C" . "FEDCZUMZENXUPU-UHFFFAOYSA-N" . "InChI=1S/C20H25N2O/c1-17(23)5-4-14-22-15-12-19(13-16-22)7-6-18-8-10-20(11-9-18)21(2)3/h6-13,15-16H,4-5,14H2,1-3H3/q+1" . "Ic1cccc(c1)CN1CCC(C(C1)N1CCC(CC1)c1ccccc1)O" . "Ic1cccc(c1)CN1CC[C@H]([C@@H](C1)N1CCC(CC1)c1ccccc1)O" . "UBVKSFDICLMPLH-DHIUTWEWSA-N" . "InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1" . "COc1cc2c(cc1OC)CCN1C2CC(O)C(C1)CC(C)C" . "COc1cc2c(cc1OC)CCN1C2CC(O)C(C1)CC(C)C" . "WEQLWGNDNRARGE-UHFFFAOYSA-N" . "InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3" . "[N-]=[N+]=Nc1ccc2c(c1I)[nH]c(=O)n(c2=O)CCN1CCC(CC1)C(=O)c1ccc(cc1)F" . "[N-]=[N+]=Nc1ccc2c(c1[125I])[nH]c(=O)n(c2=O)CCN1CCC(CC1)C(=O)c1ccc(cc1)F" . "OALSEJAYBSRMHM-XXFZXMJFSA-N" . "InChI=1S/C22H20FIN6O3/c23-15-3-1-13(2-4-15)20(31)14-7-9-29(10-8-14)11-12-30-21(32)16-5-6-17(27-28-25)18(24)19(16)26-22(30)33/h1-6,14H,7-12H2,(H,26,33)/i24-2" . "OC1Cc2cccc(c2CC1N1CCC(CC1)c1ccccc1)I" . "O[C@@H]1Cc2cccc(c2C[C@H]1N1CCC(CC1)c1ccccc1)[123I]" . "FHYAUNJNVMGZQN-YKBXEZAISA-N" . "InChI=1S/C21H24INO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1/i22-4" . "OCC[N+](CC)(CC)CC" . "OCC[N+](CC)(CC)CC" . "GZBUMTPCIKCWFW-UHFFFAOYSA-N" . "InChI=1S/C8H20NO/c1-4-9(5-2,6-3)7-8-10/h10H,4-8H2,1-3H3/q+1" . "OC1CCCCC1N1CCC(CC1)c1ccccc1" . "OC1CCCCC1N1CCC(CC1)c1ccccc1" . "YSSBJODGIYRAMI-UHFFFAOYSA-N" . "InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2" . "OC1CCCCC1N1CCC(CC1)c1ccccc1" . "O([3H])C1CCCCC1N1CCC(CC1)c1ccccc1" . "YSSBJODGIYRAMI-SETVJMCQSA-N" . "InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/i19T" . "OCC1OC(Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O" . "IOUVKUPGCMBWBT-QNDFHXLGSA-N" . "InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1" . "Fc1ccc(cc1)C(c1ccc(cc1)F)CCCNC1CCCc2c1c(O)no2" . "Fc1ccc(cc1)C(c1ccc(cc1)F)CCCNC1CCCc2c1c(O)no2" . "QOSIKKDOOCQXMT-UHFFFAOYSA-N" . "InChI=1S/C23H24F2N2O2/c24-17-10-6-15(7-11-17)19(16-8-12-18(25)13-9-16)3-2-14-26-20-4-1-5-21-22(20)23(28)27-29-21/h6-13,19-20,26H,1-5,14H2,(H,27,28)" . "OCC1OC(C(C1O)O)n1ccc2c1ncnc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N" . "HDZZVAMISRMYHH-KCGFPETGSA-N" . "InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1" . "OCC1OC(c2ccc(c(c2)Cc2ccc(cc2)OC2COCC2)Cl)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)O[C@@H]2COCC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O" . "OBWASQILIWPZMG-QZMOQZSNSA-N" . "InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1" . "OCC(Cc1ccccc1)N" . "OC[C@H](Cc1ccccc1)N" . "STVVMTBJNDTZBF-VIFPVBQESA-N" . "InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1" . "OCC(CC(C)C)N" . "OC[C@H](CC(C)C)N" . "VPSSPAXIFBTOHY-LURJTMIESA-N" . "InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1" . "O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O" . "O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)O" . "JKKFKPJIXZFSSB-CBZIJGRNSA-N" . "InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1" . "O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O" . "O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)O" . "JKKFKPJIXZFSSB-CBZIJGRNSA-N" . "InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "BHTRKEVKTKCXOH-BJLOMENOSA-N" . "InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1" . "c1ccc(cc1)CCCCc1cnc[nH]1" . "c1ccc(cc1)CCCCc1cnc[nH]1" . "BQTXNCXSCSNHGA-UHFFFAOYSA-N" . "InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)" . "Cc1cccc(n1)C#Cc1ccccc1" . "Cc1cccc(n1)C#Cc1ccccc1" . "NEWKHUASLBMWRE-UHFFFAOYSA-N" . "InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "BHTRKEVKTKCXOH-LBSADWJPSA-N" . "InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1" . "OCC1NC(C(C(C1O)O)O)S(=O)(=O)O" . "OC[C@H]1N[C@H]([C@@H]([C@H]([C@@H]1O)O)O)S(=O)(=O)O" . "PLICPKOWHZITQE-DVKNGEFBSA-N" . "InChI=1S/C6H13NO7S/c8-1-2-3(9)4(10)5(11)6(7-2)15(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4+,5-,6+/m1/s1" . "CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C" . "CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C" . "BNRNXUUZRGQAQC-UHFFFAOYSA-N" . "InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)" . "OC(=O)c1cc(N2CCCC2)c(c(c1)S(=O)(=O)N)Oc1ccccc1" . "OC(=O)c1cc(N2CCCC2)c(c(c1)S(=O)(=O)N)Oc1ccccc1" . "UJEWTUDSLQGTOA-UHFFFAOYSA-N" . "InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)" . "OCC1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)C(C(C1O)O)NC(=O)C" . "OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)NC(=O)C" . "LFTYTUAZOPRMMI-NESSUJCYSA-N" . "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1" . "OCC(COP(=O)(O)O)O" . "OCC(COP(=O)(O)O)O" . "AWUCVROLDVIAJX-UHFFFAOYSA-N" . "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)" . "NC=O" . "NC=O" . "ZHNUHDYFZUAESO-UHFFFAOYSA-N" . "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" . "OCC1OC(Oc2cc(O)c3c(c2)OC(CC3=O)c2ccc(cc2)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O" . "DFPMSGMNTNDNHN-ZPHOTFPESA-N" . "InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1" . "OCC1OC(C(C1O)O)c1n[nH]c2c1[nH]cnc2=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1n[nH]c2c1[nH]cnc2=O" . "MTCJZZBQNCXKAP-KSYZLYKTSA-N" . "InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1" . "OCC(CC1NC(=O)C2NC(=O)C(C)NC(=O)C3CC(CN3C(=O)C(CSc3c(C2)c2ccccc2[nH]3)NC(=O)C(NC(=O)C(NC1=O)C)C(O)C)O)(O)C" . "OCC(CC1NC(=O)C2NC(=O)C(C)NC(=O)C3CC(CN3C(=O)C(CSc3c(C2)c2ccccc2[nH]3)NC(=O)C(NC(=O)C(NC1=O)C)C(O)C)O)(O)C" . "KPKZJLCSROULON-UHFFFAOYSA-N" . "InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)" . "OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O" . "IQFYYKKMVGJFEH-XLPZGREQSA-N" . "InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1" . "OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N" . "OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N" . "LDCYZAJDBXYCGN-VIFPVBQESA-N" . "InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1" . "COC(C(C=C(C=CC1NC(=O)C(CCCN=C(N)N)NC(=O)C(C)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC(=O)C1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1" . "CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)/C)C)Cc1ccccc1" . "ZYZCGGRZINLQBL-GWRQVWKTSA-N" . "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1" . "CCOc1cc2c(cc1OCC)nc(nc2N1CCC(CC1)n1c(=O)c2cc(C)ccc2n(c1=O)C)N1CCOCC1" . "CCOc1cc2c(cc1OCC)nc(nc2N1CCC(CC1)n1c(=O)c2cc(C)ccc2n(c1=O)C)N1CCOCC1" . "MXOWYPVUVPQDNZ-UHFFFAOYSA-N" . "InChI=1S/C31H38N6O5/c1-5-41-26-18-22-24(19-27(26)42-6-2)32-30(36-13-15-40-16-14-36)33-28(22)35-11-9-21(10-12-35)37-29(38)23-17-20(3)7-8-25(23)34(4)31(37)39/h7-8,17-19,21H,5-6,9-16H2,1-4H3" . "OC1C(COP(=O)(OP(=O)(OC2OCC(C(C2O)O)O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "DQQDLYVHOTZLOR-OCIMBMBZSA-N" . "InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1" . "OCC1OC(C(C1O)O)n1cccnc1=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cccnc1=O" . "RPQZTTQVRYEKCR-WCTZXXKLSA-N" . "InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1" . "OCC1OC(C(C1O)O)n1ccc(nc1=O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N" . "UHDGCWIWMRVCDJ-XVFCMESISA-N" . "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1" . "O=c1[nH]oc2c1CNCC2" . "O=c1[nH]oc2c1CNCC2" . "SXXLKZCNJHJYFL-UHFFFAOYSA-N" . "InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)" . "O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O" . "O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O" . "LTMHDMANZUZIPE-PUGKRICDSA-N" . "InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1" . "O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O" . "O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O" . "LTMHDMANZUZIPE-PUGKRICDSA-N" . "InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1" . "OCC(C(C(C=O)O)O)O" . "OC[C@H]([C@@H]([C@H](C=O)O)O)O" . "PYMYPHUHKUWMLA-VPENINKCSA-N" . "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1" . "O=CC(C(C(C(C(=O)O)O)O)O)O" . "O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O" . "IAJILQKETJEXLJ-QTBDOELSSA-N" . "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1" . "O=CC(C(C(C(O)C)O)O)O" . "O=C[C@@H]([C@H]([C@H]([C@H](O)C)O)O)O" . "PNNNRSAQSRJVSB-DPYQTVNSSA-N" . "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m1/s1" . "O=CC(C(C(C(O)C)O)O)O" . "O=C[C@H]([C@@H]([C@@H]([C@@H](O)C)O)O)O" . "PNNNRSAQSRJVSB-KCDKBNATSA-N" . "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1" . "OCC(C(C(C=O)O)O)O" . "OC[C@@H]([C@H]([C@@H](C=O)O)O)O" . "PYMYPHUHKUWMLA-WISUUJSJSA-N" . "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m1/s1" . "OCC(C(C(C(C=O)O)O)O)O" . "OC[C@@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O" . "GZCGUPFRVQAUEE-VANKVMQKSA-N" . "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1" . "COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC" . "COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC" . "QVZCXCJXTMIDME-UHFFFAOYSA-N" . "InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3" . "OCC(OCn1cnc2c1[nH]c(N)nc2=O)COC(=O)C(C(C)C)N" . "OCC(OCn1cnc2c1[nH]c(N)nc2=O)COC(=O)[C@H](C(C)C)N" . "WPVFJKSGQUFQAP-GKAPJAKFSA-N" . "InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C" . "GHCZAUBVMUEKKP-XROMFQGDSA-N" . "InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1" . "OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)C" . "WVULKSPCQVQLCU-BUXLTGKBSA-N" . "InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1" . "NCCC(=O)NC(C(=O)O)Cc1nc[nH]c1" . "NCCC(=O)N[C@H](C(=O)O)Cc1nc[nH]c1" . "CQOVPNPJLQNMDC-ZETCQYMHSA-N" . "InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1" . "CN(CC(=O)O)CCOc1ccc(cc1C(C)(C)C)c1ccc2c(c1)OCO2" . "CN(CC(=O)O)CCOc1ccc(cc1C(C)(C)C)c1ccc2c(c1)OCO2" . "FKPLJWGRBCQLTL-UHFFFAOYSA-N" . "InChI=1S/C22H27NO5/c1-22(2,3)17-11-15(16-6-8-19-20(12-16)28-14-27-19)5-7-18(17)26-10-9-23(4)13-21(24)25/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,25)" . "OCCCC(=O)O" . "OCCCC(=O)O" . "SJZRECIVHVDYJC-UHFFFAOYSA-N" . "InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)" . "CCCCCC=CCC=CCC=CCCCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O" . "VZCCETWTMQHEPK-QNEBEIHSSA-N" . "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-" . "OC(=O)CCc1c[nH]c2c1cccc2" . "OC(=O)CCc1c[nH]c2c1cccc2" . "GOLXRNDWAUTYKT-UHFFFAOYSA-N" . "InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)" . "OC(=O)CCC(C(=O)O)N" . "OC(=O)CC[C@H](C(=O)O)N" . "WHUUTDBJXJRKMK-GSVOUGTGSA-N" . "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1" . "OC(=O)CCN=C(N)N" . "OC(=O)CCN=C(N)N" . "KMXXSJLYVJEBHI-UHFFFAOYSA-N" . "InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)" . "OC(=O)C1CCCN(C1)CCC=C(c1ccccc1)c1ccccc1" . "OC(=O)C1CCCN(C1)CC/C=C(/c1ccccc1)/c1ccccc1" . "TXQKSMSLZVKQBI-UHFFFAOYSA-N" . "InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)" . "OC1CNC(C1)C(=O)O" . "O[C@H]1CN[C@@H](C1)C(=O)O" . "PMMYEEVYMWASQN-DMTCNVIQSA-N" . "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1" . "O=C1CCC(N1)C(=O)O" . "O=C1CCC(N1)C(=O)O" . "ODHCTXKNWHHXJC-UHFFFAOYSA-N" . "InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)" . "NCc1ccc(cc1)C(=O)O" . "NCc1ccc(cc1)C(=O)O" . "QCTBMLYLENLHLA-UHFFFAOYSA-N" . "InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)" . "OC(=O)c1c(cccc1C(=O)O)C(=O)O" . "OC(=O)c1c(cccc1C(=O)O)C(=O)O" . "UJMDYLWCYJJYMO-UHFFFAOYSA-N" . "InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)" . "OC(=O)C1(N)CC2CC1CC2" . "OC(=O)C1(N)CC2CC1CC2" . "MPUVBVXDFRDIPT-UHFFFAOYSA-N" . "InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)" . "CC(CC(=O)O)O" . "C[C@@H](CC(=O)O)O" . "WHBMMWSBFZVSSR-VKHMYHEASA-N" . "InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1" . "OC(=O)CC(C(=O)O)N" . "OC(=O)C[C@H](C(=O)O)N" . "CKLJMWTZIZZHCS-UWTATZPHSA-N" . "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1" . "CNC(C(=O)O)(C)C" . "CNC(C(=O)O)(C)C" . "DLAMVQGYEVKIRE-UHFFFAOYSA-N" . "InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)" . "OS(=O)CC(C(=O)O)N" . "OS(=O)CC(C(=O)O)N" . "ADVPTQAUNPRNPO-UHFFFAOYSA-N" . "InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)" . "OC(=O)C(Cc1cn(c2c1cccc2)C)N" . "OC(=O)C(Cc1cn(c2c1cccc2)C)N" . "ZADWXFSZEAPBJS-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)" . "OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C" . "OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C" . "ZTTWHZHBPDYSQB-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)" . "OC(=O)C(=C)OP(=O)(O)O" . "OC(=O)C(=C)OP(=O)(O)O" . "DTBNBXWJWCWCIK-UHFFFAOYSA-N" . "InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)" . "COC(C(=CC=C(C(=O)O)C)C)CC=CC=CCCC=CCC(C=CC(=CC(=O)O)CC(=O)O)C" . "CO[C@@H](/C(=C/C=C(/C(=O)O)/C)/C)C/C=C/C=C/CC/C=C/C[C@@H](/C=C/C(=C/C(=O)O)/CC(=O)O)C" . "SHCXABJSXUACKU-WUTQZGRKSA-N" . "InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1" . "OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C" . "O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C" . "LPLVUJXQOOQHMX-QWBHMCJMSA-N" . "InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1" . "OC(=O)C1OC(OC2CCC3C2(C)CCC2C3CCc3c2ccc(c3)O)C(C(C1O)O)O" . "OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3CCc3c2ccc(c3)O)[C@@H]([C@H]([C@@H]1O)O)O" . "MTKNDAQYHASLID-QXYWQCSFSA-N" . "InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1" . "OC(=O)C1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C" . "OC(=O)[C@@H]1CCCN(C1)CC/C=C(/c1sccc1C)/c1sccc1C" . "PBJUNZJWGZTSKL-MRXNPFEDSA-N" . "InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N" . "OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N" . "ZNOVTXRBGFNYRX-ZGTCLIOFSA-N" . "InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1" . "NC(=O)NCCCC(C(=O)O)N" . "NC(=O)NCCC[C@H](C(=O)O)N" . "RHGKLRLOHDJJDR-SCSAIBSYSA-N" . "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1" . "NC(C(=O)O)CCCN" . "N[C@@H](C(=O)O)CCCN" . "AHLPHDHHMVZTML-SCSAIBSYSA-N" . "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1" . "NCCCCC(C(=O)O)N" . "NCCCC[C@H](C(=O)O)N" . "KDXKERNSBIXSRK-RXMQYKEDSA-N" . "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1" . "OC(=O)C(CCCN=C(N)N)N" . "OC(=O)[C@@H](CCCN=C(N)N)N" . "ODKSFYDXXFIFQN-SCSAIBSYSA-N" . "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1" . "NC(C(=O)O)Cc1c[nH]cn1" . "N[C@@H](C(=O)O)Cc1c[nH]cn1" . "HNDVDQJCIGZPNO-RXMQYKEDSA-N" . "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1" . "CC(C(=O)O)N" . "C[C@H](C(=O)O)N" . "QNAYBMKLOCPYGJ-UWTATZPHSA-N" . "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1" . "COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCCC(C1)C(=O)O" . "COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCC[C@@H](C1)C(=O)O" . "VDLDUZLDZBVOAS-QFIPXVFZSA-N" . "InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1" . "OC(=O)C1CCCN1" . "OC(=O)[C@H]1CCCN1" . "ONIBWKKTOPOVIA-SCSAIBSYSA-N" . "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1)c(=O)nc([nH]2)N" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1)c(=O)nc([nH]2)N" . "MSTNYGQPCMXVAQ-KIYNQFGBSA-N" . "InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C" . "FBOZXECLQNJBKD-ZDUSSCGKSA-N" . "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1" . "CC1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1" . "C[C@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1" . "RWQKHEORZBHNRI-BMIGLBTASA-N" . "InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1" . "OC(=O)C1=CCCN(C1)CCON=C(c1ccccc1)c1ccccc1" . "OC(=O)C1=CCCN(C1)CCO/N=C(/c1ccccc1)/c1ccccc1" . "NGNALWDRPKNJGR-UHFFFAOYSA-N" . "InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25)" . "OCC(C(C(=O)NCCC(=O)O)O)(C)C" . "OCC([C@H](C(=O)NCCC(=O)O)O)(C)C" . "GHOKWGTUZJEAQD-ZETCQYMHSA-N" . "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1" . "OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O" . "DRTQHJPVMGBUCF-XVFCMESISA-N" . "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1" . "COc1cc(cc(c1OCc1ccccc1)OC)C(=O)NCC1(CCCC1)N(C)C" . "COc1cc(cc(c1OCc1ccccc1)OC)C(=O)NCC1(CCCC1)N(C)C" . "ZCYOBMASPXQBSZ-UHFFFAOYSA-N" . "InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)" . "C[n+]1ccc(cc1)Nc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1cc[n+](c2c1cccc2)C" . "C[n+]1ccc(cc1)Nc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1cc[n+](c2c1cccc2)C" . "PMCURUPNDHFYCG-UHFFFAOYSA-P" . "InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2" . "O=C(Nc1scc(n1)C)CSc1ccc(nn1)c1ccccc1" . "O=C(Nc1scc(n1)C)CSc1ccc(nn1)c1ccccc1" . "WJRWSLORVIHRNX-UHFFFAOYSA-N" . "InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)" . "OC(CNC(C)(C)C)COc1ccc(cc1)NC(=O)NC1CCCCC1" . "OC(CNC(C)(C)C)COc1ccc(cc1)NC(=O)NC1CCCCC1" . "MXFWWQICDIZSOA-UHFFFAOYSA-N" . "InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)" . "OCC(C(C1OC(CC(C1NC(=O)C)O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(nc1=O)N)O)C(=O)O)O)O" . "OC[C@H]([C@H]([C@@H]1O[C@](C[C@@H]([C@H]1NC(=O)C)O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)C(=O)O)O)O" . "TXCIAUNLDRJGJZ-BILDWYJOSA-N" . "InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1" . "CNC(=O)N" . "CNC(=O)N" . "XGEGHDBEHXKFPX-UHFFFAOYSA-N" . "InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)" . "CC(=O)N" . "CC(=O)N" . "DLFVBJFMPXGRIB-UHFFFAOYSA-N" . "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" . "CN(C(=O)CN)CC(=O)O" . "CN(C(=O)CN)CC(=O)O" . "VYAMLSCELQQRAE-UHFFFAOYSA-N" . "InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)" . "C[n+]1cccc(c1)C(=O)N" . "C[n+]1cccc(c1)C(=O)N" . "LDHMAVIPBRSVRG-UHFFFAOYSA-O" . "InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1" . "OC(=O)CCCC(=O)C(=O)O" . "OC(=O)CCCC(=O)C(=O)O" . "FGSBNBBHOZHUBO-UHFFFAOYSA-N" . "InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)" . "CC(CC(=O)C(=O)O)C" . "CC(CC(=O)C(=O)O)C" . "BKAJNAXTPSGJCU-UHFFFAOYSA-N" . "InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)" . "Nc1ccc(c(c1)C(=O)[O-])O" . "Nc1ccc(c(c1)C(=O)[O-])O" . "KBOPZPXVLCULAV-UHFFFAOYSA-M" . "InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p-1" . "OCC(C(C(C(=O)CO)O)O)O" . "OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O" . "BJHIKXHVCXFQLS-UYFOZJQFSA-N" . "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1" . "O=[NH+]C=c1ccccn1C" . "O=[NH+]C=c1ccccn1C" . "JBKPUQTUERUYQE-UHFFFAOYSA-O" . "InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1" . "OCC(C1OC(=O)C(=C1O)O)O" . "OC[C@H]([C@@H]1OC(=O)C(=C1O)O)O" . "CIWBSHSKHKDKBQ-MVHIGOERSA-N" . "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1" . "OCC1OC(O)C(C(C1O)O)O" . "OC[C@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)O" . "WQZGKKKJIJFFOK-QTVWNMPRSA-N" . "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1" . "OC1C(O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O" . "CDAISMWEOUEBRE-CDRYSYESSA-N" . "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-" . "OC1C(O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O" . "CDAISMWEOUEBRE-GNIYUCBRSA-N" . "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+" . "OC1OC(COP(=O)(O)O)C(C(C1O)O)O" . "OC1O[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@H]1O)O)O" . "NBSCHQHZLSJFNQ-GASJEMHNSA-N" . "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1" . "OCC1OC(O)C(C(C1O)O)O" . "OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)O" . "WQZGKKKJIJFFOK-PHYPRBDBSA-N" . "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1" . "OCC(C(C(C(C(CC(=O)C(=O)O)O)NC(=O)C)O)O)O" . "OC[C@H]([C@H]([C@@H]([C@@H]([C@H](CC(=O)C(=O)O)O)NC(=O)C)O)O)O" . "KBGAYAKRZNYFFG-BOHATCBPSA-N" . "InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1" . "OCC1OC(O)CC(C1O)O" . "OC[C@H]1OC(O)C[C@H]([C@@H]1O)O" . "PMMURAAUARKVCB-CERMHHMHSA-N" . "InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1" . "OCC1NCC(C(C1O)O)O" . "OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O" . "LXBIFEVIBLOUGU-JGWLITMVSA-N" . "InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1" . "c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1" . "c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1" . "RAQPOZGWANIDQT-UHFFFAOYSA-N" . "InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2" . "c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1" . "c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1" . "RAQPOZGWANIDQT-UHFFFAOYSA-N" . "InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2" . "CNCCC(c1ccccc1)Oc1ccccc1OC" . "CNCCC(c1ccccc1)Oc1ccccc1OC" . "ITJNARMNRKSWTA-UHFFFAOYSA-N" . "InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3" . "CNCCC(c1ccccc1)Oc1ccccc1OC" . "COc1ccccc1OC(c1ccccc1)CCNC([3H])([3H])[3H]" . "ITJNARMNRKSWTA-RLXJOQACSA-N" . "InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/i1T3" . "OCC(C(C1NC(=O)C2CC(CN2C(=O)C(CC(=O)N)NC(=O)C2CS(=O)c3c(CC(NC1=O)C(=O)NCC(=O)NC(C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)O)O)C)O" . "OC[C@@H](C([C@@H]1NC(=O)[C@@H]2CC(CN2C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CS(=O)c3c(C[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)O)O)C)O" . "CIORWBWIBBPXCG-JZTFPUPKSA-N" . "InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16?,17?,19?,23-,24-,25-,26-,27-,31-,32-,64?/m0/s1" . "NC(C(C(=O)O)OCc1ccccc1)C(=O)O" . "N[C@@H]([C@@H](C(=O)O)OCc1ccccc1)C(=O)O" . "BYOBCYXURWDEDS-IUCAKERBSA-N" . "InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1" . "OCC1CC(C(O1)n1cnc2c1ncnc2N)O" . "OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O" . "OFEZSBMBBKLLBJ-BAJZRUMYSA-N" . "InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1" . "OCCc1sc[n+](c1C)Cc1cnc(nc1N)C" . "OCCc1sc[n+](c1C)Cc1cnc(nc1N)C" . "JZRWCGZRTZMZEH-UHFFFAOYSA-N" . "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1" . "OCCc1sc[n+](c1C)Cc1cnc(nc1N)C" . "OCCc1sc[n+](c1C)Cc1cnc(nc1N)C" . "JZRWCGZRTZMZEH-UHFFFAOYSA-N" . "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1" . "OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc([125I])c(c(c1)I)O)N" . "XUIIKFGFIJCVMT-SUXPHOQTSA-N" . "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1/i16-2" . "O=C(CC(C(=O)O)N)Nc1ccc2c(c1)Cc1c2cccc1" . "O=C(C[C@@H](C(=O)O)N)Nc1ccc2c(c1)Cc1c2cccc1" . "QDIIRLCSVINDSC-HNNXBMFYSA-N" . "InChI=1S/C17H16N2O3/c18-15(17(21)22)9-16(20)19-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8,15H,7,9,18H2,(H,19,20)(H,21,22)/t15-/m0/s1" . "NC(C(C(=O)O)Cc1ccccc1)C(=O)O" . "N[C@@H]([C@@H](C(=O)O)Cc1ccccc1)C(=O)O" . "KMVYGTIPJNGNRD-IUCAKERBSA-N" . "InChI=1S/C11H13NO4/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1" . "[C]N" . "[14C]N" . "OGBYLFXCCAHRHC-NJFSPNSNSA-N" . "InChI=1S/CH2N/c1-2/h2H2/i1+2" . "NC(C(=O)O)Cc1c[nH]cn1" . "N[14C@H](C(=O)O)Cc1c[nH]cn1" . "HNDVDQJCIGZPNO-YDUYVQCESA-N" . "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i5+2" . "Fc1cccc(c1)C(c1ccccc1OCc1ccccc1)OCC(C(=O)O)N" . "Fc1cccc(c1)C(c1ccccc1OCc1ccccc1)OC[C@@H](C(=O)O)N" . "ADUSZEGHFWRTQS-AIBWNMTMSA-N" . "InChI=1S/C23H22FNO4/c24-18-10-6-9-17(13-18)22(29-15-20(25)23(26)27)19-11-4-5-12-21(19)28-14-16-7-2-1-3-8-16/h1-13,20,22H,14-15,25H2,(H,26,27)/t20-,22?/m0/s1" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "WSEQXVZVJXJVFP-UHFFFAOYSA-N" . "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3" . "[O-]C(=O)c1ccccc1" . "[O-]C(=O)c1ccccc1" . "WPYMKLBDIGXBTP-UHFFFAOYSA-M" . "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "FDORQEIHOKEJNX-UHFFFAOYSA-N" . "InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "FDORQEIHOKEJNX-UHFFFAOYSA-N" . "InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "CN(CC(=O)O)CC[C@H](c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "FDORQEIHOKEJNX-HSZRJFAPSA-N" . "InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1" . "CCOc1ccc(c(c1)N)Oc1ccc(cc1)OCc1cc(F)ccc1F" . "CCOc1ccc(c(c1)N)Oc1ccc(cc1)OCc1cc(F)ccc1F" . "YSUBLPUJDOWYDP-UHFFFAOYSA-N" . "InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3" . "OCC1OC(C(C1O)O)n1cc(F)c(=O)[nH]c1=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(=O)[nH]c1=O" . "FHIDNBAQOFJWCA-UAKXSSHOSA-N" . "InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1" . "CCNC(Cc1cccc(c1)C(F)(F)F)C" . "CCNC(Cc1cccc(c1)C(F)(F)F)C" . "DBGIVFWFUFKIQN-UHFFFAOYSA-N" . "InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3" . "OC(=O)C1=CCCN(C1)CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F" . "OC(=O)C1=CCCN(C1)CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F" . "CMHQDSBIBSKHFP-UHFFFAOYSA-N" . "InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)" . "COc1ccccc1C1(O)CCN(CC1)CCCn1c2ccccc2c2c1cccc2" . "COc1ccccc1C1(O)CCN(CC1)CCCn1c2ccccc2c2c1cccc2" . "XZZYCJOGZYEPPW-UHFFFAOYSA-N" . "InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3" . "COc1ccc(cc1)C1C2=C(OC(=C1C#N)N)CC(CC2=O)c1cccc2c1cccc2" . "COc1ccc(cc1)C1C2=C(OC(=C1C#N)N)CC(CC2=O)c1cccc2c1cccc2" . "YBMGNDPBARCLFT-UHFFFAOYSA-N" . "InChI=1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3" . "COc1cc2c(cc1O[C])CCN1C2(C)CC(O)C(C1)CC(C)C" . "COc1cc2c(cc1O[11C])CCN1[C@@]2(C)C[C@H](O)[C@H](C1)CC(C)C" . "LCUNKBCUJJTZNQ-VEFADGFBSA-N" . "InChI=1S/C20H28NO3/c1-13(2)8-15-12-21-7-6-14-9-18(23-4)19(24-5)10-16(14)20(21,3)11-17(15)22/h9-10,13,15,17,22H,6-8,11-12H2,1-3,5H3/t15-,17-,20-/m0/s1/i4-1" . "COC(=O)c1ccccc1c1c2ccc(=[NH2+])cc2oc2c1ccc(c2)N" . "COC(=O)c1ccccc1c1c2ccc(=[NH2+])cc2oc2c1ccc(c2)N" . "FCGVBHISQBBIQF-UHFFFAOYSA-O" . "InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3/p+1" . "COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)F" . "COC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c1ccc(cc1)F" . "QUSLQENMLDRCTO-YJNKXOJESA-N" . "InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1" . "COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)F" . "COC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c1ccc(cc1)F" . "QUSLQENMLDRCTO-YJNKXOJESA-N" . "InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1" . "CN1CCCCC1C(c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F" . "CN1CCCC[C@H]1[C@H](c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F" . "XPXKFXNVIAOBEI-HKUYNNGSSA-N" . "InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1" . "CN1CCCCC1C(c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F" . "CN1CCCC[C@H]1[C@H](c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F" . "XPXKFXNVIAOBEI-HKUYNNGSSA-N" . "InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1" . "CN(CC(=O)O)CCC(c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C" . "CN(CC(=O)O)CC[C@H](c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C" . "HNBKNDFZJLEZLZ-XMMPIXPASA-N" . "InChI=1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)/t24-/m1/s1" . "CN(CC(=O)O)CCC(c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C" . "CN(CC(=O)O)CCC(c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C" . "HNBKNDFZJLEZLZ-UHFFFAOYSA-N" . "InChI=1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)" . "OC(=O)CN(CCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C" . "OC(=O)CN(CC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C" . "KZWQAWBTWNPFPW-QGZVFWFLSA-N" . "InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1" . "CN(C(=O)CN)CC(=O)O" . "CN([14C](=O)CN)CC(=O)O" . "VYAMLSCELQQRAE-DOMIDYPGSA-N" . "InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)/i4+2" . "O=C(c1c(C)cccc1C)NC(C1(CCCC1)N(C)C)c1ccccc1" . "O=C(c1c(C)cccc1C)N[C@H](C1(CCCC1)N(C)C)c1ccccc1" . "BMXRRRIDMAIEKX-NRFANRHFSA-N" . "InChI=1S/C23H30N2O/c1-17-11-10-12-18(2)20(17)22(26)24-21(19-13-6-5-7-14-19)23(25(3)4)15-8-9-16-23/h5-7,10-14,21H,8-9,15-16H2,1-4H3,(H,24,26)/t21-/m0/s1" . "NC(=NCc1ccc(c(c1)Cl)Cl)NC(=O)c1nc(Cl)c(nc1N)N" . "N/C(=N/Cc1ccc(c(c1)Cl)Cl)/NC(=O)c1nc(Cl)c(nc1N)N" . "OSHKWEFWXCCNJR-UHFFFAOYSA-N" . "InChI=1S/C13H12Cl3N7O/c14-6-2-1-5(3-7(6)15)4-20-13(19)23-12(24)8-10(17)22-11(18)9(16)21-8/h1-3H,4H2,(H4,17,18,22)(H3,19,20,23,24)" . "CCCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C" . "CCCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C" . "HDJJAWCPAZTZIG-UHFFFAOYSA-N" . "InChI=1S/C10H16ClN7O/c1-3-4-18(2)8-6(11)15-5(7(12)16-8)9(19)17-10(13)14/h3-4H2,1-2H3,(H2,12,16)(H4,13,14,17,19)" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)C1OC(CO)C(C(C1O)O)O" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O" . "JVHXJTBJCFBINQ-ADAARDCZSA-N" . "InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1" . "[O-]C=O" . "[O-]C=O" . "BDAGIHXWWSANSR-UHFFFAOYSA-M" . "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1" . "Clc1ccc(cc1)CNc1nc(N)c(nc1Cl)C(=O)N=CNNCc1ccc(cc1C)C" . "Clc1ccc(cc1)CNc1nc(N)c(nc1Cl)C(=O)/N=C/NNCc1ccc(cc1C)C" . "OTVLDNYCQTWHCT-UHFFFAOYSA-N" . "InChI=1S/C22H23Cl2N7O/c1-13-3-6-16(14(2)9-13)11-28-29-12-27-22(32)18-20(25)31-21(19(24)30-18)26-10-15-4-7-17(23)8-5-15/h3-9,12,28H,10-11H2,1-2H3,(H3,25,26,31)(H,27,29,32)" . "CC(Cc1ccc(cc1)Cl)N" . "CC(Cc1ccc(cc1)Cl)N" . "WWPITPSIWMXDPE-UHFFFAOYSA-N" . "InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3" . "Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12" . "Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12" . "ZPXSCAKFGYXMGA-UHFFFAOYSA-N" . "InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2" . "O=C(Nc1c(Cl)cc(cc1Cl)N)CN1CCN(CC1C(=O)N)CCCCC(c1ccc(cc1)F)c1ccc(cc1)F" . "O=C(Nc1c(Cl)cc(cc1Cl)N)CN1CCN(CC1C(=O)N)CCCCC(c1ccc(cc1)F)c1ccc(cc1)F" . "IWMYIWLIESDFRZ-UHFFFAOYSA-N" . "InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)" . "CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCC(=O)O)Cl)C1CCCC1" . "CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCC(=O)O)Cl)C1CCCC1" . "YAWWQIFONIPBKT-UHFFFAOYSA-N" . "InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)" . "OCC1OC(Oc2n[nH]c(c2C(=O)Cc2ccc(cc2)OC(C)C)C(C)C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](Oc2n[nH]c(c2C(=O)Cc2ccc(cc2)OC(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O" . "ZFTKJNMBOMHCDC-CKSGFJDPSA-N" . "InChI=1S/C23H32N2O8/c1-11(2)18-17(15(27)9-13-5-7-14(8-6-13)31-12(3)4)22(25-24-18)33-23-21(30)20(29)19(28)16(10-26)32-23/h5-8,11-12,16,19-21,23,26,28-30H,9-10H2,1-4H3,(H,24,25)/t16-,19-,20+,21-,23+/m1/s1" . "CCOC(=O)OCC1OC(Oc2ccccc2Cc2ccc(cc2)OC)C(C(C1O)O)O" . "CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O" . "QLXKHBNJTPICNF-QMCAAQAGSA-N" . "InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3/t18-,19-,20+,21-,22-/m1/s1" . "CCN1CC(O)C(C(C1CO)O)O" . "CCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O" . "DAYOICKCVBMUPS-ULAWRXDQSA-N" . "InChI=1S/C8H17NO4/c1-2-9-3-6(11)8(13)7(12)5(9)4-10/h5-8,10-13H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1" . "CCCCCCCC(=O)O" . "CCCCCCCC(=O)O" . "WWZKQHOCKIZLMA-UHFFFAOYSA-N" . "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" . "[O-]C(=O)C1[NH2+]CC(C1)C(=O)[O-]" . "[O-]C(=O)[C@H]1[NH2+]C[C@@H](C1)C(=O)[O-]" . "NRSBQSJHFYZIPH-DMTCNVIQSA-M" . "InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1" . "[O-][Tc](=O)(=O)=O" . "[O-][Tc](=O)(=O)=O" . "FXUHHSACBOWLSP-UHFFFAOYSA-N" . "InChI=1S/4O.Tc/q;;;-1;" . "CCCS(=O)(=O)N1CCC(CC1)(c1ccccc1)C(NC(=O)c1c(N)cccc1Cl)C" . "CCC[35S](=O)(=O)N1CCC(CC1)(c1ccccc1)[C@@H](NC(=O)c1c(N)cccc1Cl)C" . "CPNFHRRINJHHNO-BMHXGNRYSA-N" . "InChI=1S/C23H30ClN3O3S/c1-3-16-31(29,30)27-14-12-23(13-15-27,18-8-5-4-6-9-18)17(2)26-22(28)21-19(24)10-7-11-20(21)25/h4-11,17H,3,12-16,25H2,1-2H3,(H,26,28)/t17-/m0/s1/i31+3" . "Cc1ccsc1C(=CCCNC1CCCc2c1c(O)no2)c1sccc1C" . "Cc1ccsc1C(=CCCNC1CCCc2c1c(O)no2)c1sccc1C" . "TYXWOLAOXRISSO-UHFFFAOYSA-N" . "InChI=1S/C21H24N2O2S2/c1-13-8-11-26-19(13)15(20-14(2)9-12-27-20)5-4-10-22-16-6-3-7-17-18(16)21(24)23-25-17/h5,8-9,11-12,16,22H,3-4,6-7,10H2,1-2H3,(H,23,24)" . "OCC1OC(C(C1O)O)n1cnc2c1nc(N)[nH]c2=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O" . "NYHBQMYGNKIUIF-UUOKFMHZSA-N" . "InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1" . "OCC1OC(c2ccc(c(c2)Cc2ccc(s2)c2ccc(cc2)F)C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(s2)c2ccc(cc2)F)C)[C@@H]([C@H]([C@@H]1O)O)O" . "XTNGUQKDFGDXSJ-ZXGKGEBGSA-N" . "InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1" . "Cc1c[nH]c(=O)[nH]c1=O" . "Cc1c[nH]c(=O)[nH]c1=O" . "RWQNBRDOKXIBIV-UHFFFAOYSA-N" . "InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)" . "Cc1ncc(c(n1)N)C[n+]1csc(c1C)CCOP(=O)(O)O" . "Cc1ncc(c(n1)N)C[n+]1csc(c1C)CCOP(=O)(O)O" . "HZSAJDVWZRBGIF-UHFFFAOYSA-O" . "InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1" . "Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2" . "Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1cc2OCOc2cc1[3H]" . "AHOUBRCZNHFOSL-RXMHWKDRSA-N" . "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1/i5T" . "O=c1cc[nH]c(=O)[nH]1" . "O=c1cc[nH]c(=O)[nH]1" . "ISAKRJDGNUQOIC-UHFFFAOYSA-N" . "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)" . "Cc1cc(ccc1NN=C1C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)NN=C1C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]" . "Cc1cc(ccc1N/N=C/1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)N/N=C/1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]" . "KBNIFDASRCWYGC-GXNXWABVSA-J" . "InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-23+,40-24+;;;;" . "OC1C(COP(=O)(OP(=O)(OC2OC(C)C(C(C2O)O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O" . "LQEBEXMHBLQMDB-QIXZNPMTSA-N" . "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1" . "C=CC1=C(C)C(=Cc2[nH]c(c(c2C)CCC(=O)O)Cc2[nH]c(c(c2CCC(=O)O)C)C=C2NC(=O)C(=C2C=C)C)NC1=O" . "C=CC1=C(C)/C(=C/c2[nH]c(c(c2C)CCC(=O)O)Cc2[nH]c(c(c2CCC(=O)O)C)/C=C/2/NC(=O)C(=C2C=C)C)/NC1=O" . "BPYKTIZUTYGOLE-IFADSCNNSA-N" . "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-" . "Cc1ccc(cc1)C(=O)Nc1sc2c(n1)n(nc2C(=O)N1CCCC1CN1CCCC1)C(C)(C)C" . "Cc1ccc(cc1)C(=O)Nc1sc2c(n1)n(nc2C(=O)N1CCC[C@H]1CN1CCCC1)C(C)(C)C" . "GJBQMIZKUFMWPV-IBGZPJMESA-N" . "InChI=1S/C26H34N6O2S/c1-17-9-11-18(12-10-17)23(33)28-25-27-22-21(35-25)20(29-32(22)26(2,3)4)24(34)31-15-7-8-19(31)16-30-13-5-6-14-30/h9-12,19H,5-8,13-16H2,1-4H3,(H,27,28,33)/t19-/m0/s1" . "CC[N+](CC)(CC)CC" . "CC[N+](CC)(CC)CC" . "CBXCPBUEXACCNR-UHFFFAOYSA-N" . "InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1" . "CNC(Cc1ccc2c(c1)OCO2)C" . "CNC(Cc1ccc2c(c1)OCO2)C" . "SHXWCVYOXRDMCX-UHFFFAOYSA-N" . "InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3" . "OC(=O)CC(C(C(=O)O)N)C" . "OC(=O)CC(C(C(=O)O)N)C" . "FHJNAFIJPFGZRI-UHFFFAOYSA-N" . "InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)" . "OCC1OC(OC2CC(C(=O)O)(C(=O)O)C3C(C2)(C)C2CCC4CC2(CC3)C(O)C4=C)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C" . "OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)O)(C(=O)O)[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C" . "AQFATIOBERWBDY-LNQSNDDKSA-N" . "InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1" . "[O-]C(=O)CC1C(CNC1C(=O)[O-])C(C)C" . "[O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(C)C" . "JQPDCKOQOOQUSC-OOZYFLPDSA-L" . "InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1" . "COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "HJYYPODYNSCCOU-ODRIEIDWSA-N" . "InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1" . "CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2" . "CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2" . "QTANTQQOYSUMLC-UHFFFAOYSA-O" . "InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1" . "C[n+]1ccc(cc1)c1ccccc1" . "C[n+]1ccc(cc1)c1ccccc1" . "FMGYKKMPNATWHP-UHFFFAOYSA-N" . "InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N" . "OVBPIULPVIDEAO-LBPRGKRZSA-N" . "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N" . "OVBPIULPVIDEAO-LBPRGKRZSA-N" . "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1" . "c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1" . "c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1" . "USFPINLPPFWTJW-UHFFFAOYSA-N" . "InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1" . "O=c1[nH]c(=O)c2c([nH]1)nc[nH]2" . "O=c1[nH]c(=O)c2c([nH]1)nc[nH]2" . "LRFVTYWOQMYALW-UHFFFAOYSA-N" . "InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)" . "Nc1[nH]c(=O)c2c(n1)[nH]cn2" . "Nc1[nH]c(=O)c2c(n1)[nH]cn2" . "UYTPUPDQBNUYGX-UHFFFAOYSA-N" . "InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)" . "O=c1nc[nH]c2c1[nH]cn2" . "O=c1nc[nH]c2c1[nH]cn2" . "FDGQSTZJBFJUBT-UHFFFAOYSA-N" . "InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)" . "OCC1OC(C(C1O)O)n1cnc2c1[nH]cnc2=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]cnc2=O" . "UGQMRVRMYYASKQ-KQYNXXCUSA-N" . "InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1" . "NC(=O)C=C" . "NC(=O)C=C" . "HRPVXLWXLXDGHG-UHFFFAOYSA-N" . "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)" . "C[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]" . "C[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]" . "FIKAKWIAUPDISJ-UHFFFAOYSA-L" . "InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2" . "OCC[N+](C)(C)C" . "OCC[N+](C)(C)C" . "OEYIOHPDSNJKLS-UHFFFAOYSA-N" . "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" . "[O-]C(=O)C[N+](C)(C)C" . "[O-]C(=O)C[N+](C)(C)C" . "KWIUHFFTVRNATP-UHFFFAOYSA-N" . "InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" . "OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)C" . "QBYUNVOYXHFVKC-GBURMNQMSA-N" . "InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1" . "OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "WBWWGRHZICKQGZ-HZAMXZRMSA-N" . "InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1" . "FC(c1ccccc1n1cncc1)(F)F" . "FC(c1ccccc1n1cncc1)(F)F" . "WZBWBNCQUTXYEL-UHFFFAOYSA-N" . "InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H" . "OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "WBWWGRHZICKQGZ-HZAMXZRMSA-N" . "InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C" . "GHCZAUBVMUEKKP-GYPHWSFCSA-N" . "InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1" . "O=C(N1CCNC(C1C(=O)O)C(=O)O)c1ccc2c(c1)c1ccccc1cc2" . "O=C(N1CCN[C@@H]([C@@H]1C(=O)O)C(=O)O)c1ccc2c(c1)c1ccccc1cc2" . "VVUAQPXBYDYTDF-ZWKOTPCHSA-N" . "InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-8-7-13-6-5-12-3-1-2-4-15(12)16(13)11-14/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m0/s1" . "OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C" . "RFDAIACWWDREDC-FRVQLJSFSA-N" . "InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1" . "CC(C(=O)O)N" . "C[C@@H](C(=O)O)N" . "QNAYBMKLOCPYGJ-REOHCLBHSA-N" . "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" . "CC(C(=O)O)N" . "C[C@@H](C(=O)O)N" . "QNAYBMKLOCPYGJ-REOHCLBHSA-N" . "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" . "O=C(NCCSC(=O)C)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "O=C(NCCS[14C](=O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "ZSLZBFCDCINBPY-YHBLMJDYSA-N" . "InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1/i12+2" . "O=C(CC(C(=O)O)N)Nc1ccc(cc1)Oc1cc(F)c(cc1Br)F" . "O=C(C[C@@H](C(=O)O)N)Nc1ccc(cc1)Oc1cc(F)c(cc1Br)F" . "BNYDDAAZMBUFRG-ZDUSSCGKSA-N" . "InChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1" . "Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O" . "Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O" . "FRPHFZCDPYBUAU-UHFFFAOYSA-N" . "InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3" . "O=C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)[O-]" . "O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-]" . "CZWCKYRVOZZJNM-USOAJAOKSA-M" . "InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1" . "[O-]C(=O)CC(=O)C" . "[O-]C(=O)CC(=O)C" . "WDJHALXBUFZDSR-UHFFFAOYSA-M" . "InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1" . "O=C1SCC(N1)C(=O)[O-]" . "O=C1SCC(N1)C(=O)[O-]" . "BMLMGCPTLHPWPY-UHFFFAOYSA-M" . "InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/p-1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(N)n(c2=O)SCc1ccccc1[N+](=O)[O-]" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)n(c2=O)SCc1ccccc1[N+](=O)[O-]" . "URJSEQDFTMBNCG-XNIJJKJLSA-N" . "InChI=1S/C17H18N6O7S/c18-17-20-14-11(19-7-21(14)16-13(26)12(25)10(5-24)30-16)15(27)22(17)31-6-8-3-1-2-4-9(8)23(28)29/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20)/t10-,12-,13-,16-/m1/s1" . "OCC1OC(C(C1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O" . "OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O" . "NVQXRTPYOZKYMZ-GDLHICMESA-N" . "InChI=1S/C17H17N5O7S/c23-5-11-13(24)14(25)17(29-11,21-8-20-12-15(21)18-7-19-16(12)26)30-6-9-3-1-2-4-10(9)22(27)28/h1-4,7-8,11,13-14,23-25H,5-6H2,(H,18,19,26)/t11-,13-,14-,17+/m1/s1" . "OCC1OC(C(C1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O" . "OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O" . "NVQXRTPYOZKYMZ-GDLHICMESA-N" . "InChI=1S/C17H17N5O7S/c23-5-11-13(24)14(25)17(29-11,21-8-20-12-15(21)18-7-19-16(12)26)30-6-9-3-1-2-4-10(9)22(27)28/h1-4,7-8,11,13-14,23-25H,5-6H2,(H,18,19,26)/t11-,13-,14-,17+/m1/s1" . "[O-]C(=O)[O-].[NH4+].[NH4+]" . "[O-]C(=O)[O-].[NH4+].[NH4+]" . "PRKQVKDSMLBJBJ-UHFFFAOYSA-N" . "InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3" . "O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)[O-])[NH3+]" . "O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)[O-])[NH3+]" . "WMZTYIRRBCGARG-VIFPVBQESA-N" . "InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1" . "Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]" . "Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]" . "GHAFORRTMVIXHS-UHFFFAOYSA-L" . "InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2" . "Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]" . "Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]" . "GHAFORRTMVIXHS-UHFFFAOYSA-L" . "InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2" . "CN(C(=N)N=C(N)N)C" . "CN(C(=N)N=C(N)N)C" . "XZWYZXLIPXDOLR-UHFFFAOYSA-N" . "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)" . "NC(C(=O)O)CSCc1ccccc1" . "N[C@H](C(=O)O)CSCc1ccccc1" . "GHBAYRBVXCRIHT-VIFPVBQESA-N" . "InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1" . "NC(C(=O)O)COCc1ccccc1" . "N[C@H](C(=O)O)COCc1ccccc1" . "IDGQXGPQOGUGIX-VIFPVBQESA-N" . "InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1" . "O=C(OCc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)[O-])NC(=O)C(CCCCNC(=O)Oc1ccc(cc1)[N+](=O)[O-])[NH3+]" . "O=C(OCc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)[O-])NC(=O)C(CCCCNC(=O)Oc1ccc(cc1)[N+](=O)[O-])[NH3+]" . "AJUWOKKXEQNXLT-UHFFFAOYSA-N" . "InChI=1S/C27H34N6O11/c28-22(5-1-3-16-30-27(38)44-21-13-11-20(12-14-21)33(41)42)24(34)31-23(25(35)36)6-2-4-15-29-26(37)43-17-18-7-9-19(10-8-18)32(39)40/h7-14,22-23H,1-6,15-17,28H2,(H,29,37)(H,30,38)(H,31,34)(H,35,36)" . "O=C(Oc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)N1CCCC1C(=O)O)N" . "O=C(Oc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)N1CCC[C@H]1C(=O)O)N" . "XECWFUGQRJPWRP-LOACHALJSA-N" . "InChI=1S/C18H24N4O7/c19-14(16(23)21-11-3-5-15(21)17(24)25)4-1-2-10-20-18(26)29-13-8-6-12(7-9-13)22(27)28/h6-9,14-15H,1-5,10-11,19H2,(H,20,26)(H,24,25)/t14?,15-/m0/s1" . "OC(=O)C(C(C(=O)O)N)O" . "OC(=O)[C@H]([C@@H](C(=O)O)N)O" . "YYLQUHNPNCGKJQ-LWMBPPNESA-N" . "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1" . "OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C" . "OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C" . "JIWUESGGKYLPPG-UHFFFAOYSA-N" . "InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2" . "OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C.[Br-].[Br-]" . "OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C.[Br-].[Br-]" . "OPYKHUMNFAMIBL-UHFFFAOYSA-L" . "InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2" . "CCCCCCCCC=CCCCCCCCC(=O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)O" . "ZQPPMHVWECSIRJ-KTKRTIGZSA-N" . "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" . "CCc1ccc(cc1)C(=O)Nc1cccc(c1)COC(C(C(=O)O)N)C(=O)O" . "C([3H])C(c1ccc(cc1)C(=O)Nc1cccc(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)[3H]" . "GFSLJGCKUUCABJ-YQFXYRMXSA-N" . "InChI=1S/C20H22N2O6/c1-2-12-6-8-14(9-7-12)18(23)22-15-5-3-4-13(10-15)11-28-17(20(26)27)16(21)19(24)25/h3-10,16-17H,2,11,21H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t16-,17-/m0/s1/i1T,2T/t2?,16-,17-" . "OC(CN1C(C)CCCC1C)CNS(=O)(=O)c1cccc2c1cccc2" . "O[C@@H](CN1[C@H](C)CCC[C@@H]1C)CNS(=O)(=O)c1ccc(c2c1cccc2)[3H]" . "GJXFPIGLCXZHTN-LDHSEPLKSA-N" . "InChI=1S/C20H28N2O3S/c1-15-7-5-8-16(2)22(15)14-18(23)13-21-26(24,25)20-12-6-10-17-9-3-4-11-19(17)20/h3-4,6,9-12,15-16,18,21,23H,5,7-8,13-14H2,1-2H3/t15-,16+,18-/m1/s1/i10T" . "O=C(c1c(C)cccc1C)NC(C1(CCCC1)N(C)C)c1ccccc1" . "O=C(c1c(C)cccc1C)N[C@H](C1(CCCC1)N(C([3H])([3H])[3H])C)c1ccccc1" . "BMXRRRIDMAIEKX-IUNCQSRSSA-N" . "InChI=1S/C23H30N2O/c1-17-11-10-12-18(2)20(17)22(26)24-21(19-13-6-5-7-14-19)23(25(3)4)15-8-9-16-23/h5-7,10-14,21H,8-9,15-16H2,1-4H3,(H,24,26)/t21-/m0/s1/i3T3" . "CN(C(=O)CN)CC(=O)O" . "[11CH3]N(C(=O)CN)CC(=O)O" . "VYAMLSCELQQRAE-BJUDXGSMSA-N" . "InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)/i1-1" . "COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C" . "COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C" . "HMJIYCCIJYRONP-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3" . "OC1C(O)C(OC1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O" . "BOPGDPNILDQYTO-NNYOXOHSSA-N" . "InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1" . "CCCCCC(C=CC1OC(=O)CC(C1CC=CCCCC(=O)O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1OC(=O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O" . "KJYIVXDPWBUJBQ-UHHGALCXSA-N" . "InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1" . "CCCCCC(C=CC1C2OOC(C1CC=CCCCC(=O)O)C2)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2)O" . "YIBNHAJFJUQSRA-YNNPMVKQSA-N" . "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1" . "CCCCCC(C=CC1OC2CC(C1CC=CCCCC(=O)O)O2)O" . "CCCCC[C@@H](/C=C/[C@H]1O[C@H]2C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O2)O" . "DSNBHJFQCNUKMA-SCKDECHMSA-N" . "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1" . "Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCCC1CNC(=O)c1cccc2c1cco2)C" . "Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cccc2c1cco2)C" . "ZJXIUGNEAIHSBI-IBGZPJMESA-N" . "InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1" . "Cc1ccc(c(c1)C(=O)N1CC(CCC1C)COc1ccc(cn1)F)c1ncccn1" . "Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1" . "NPFDWHQSDBWQLH-QZTJIDSGSA-N" . "InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1" . "CNCC(c1ccc(c(c1)O)O)O" . "CNC[C@H](c1ccc(c(c1)O)O)O" . "UCTWMZQNUQWSLP-SECBINFHSA-N" . "InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CC(=O)N)Cc1nc[nH]c1)C(C)C)CC(=O)O)CCC(=O)N)CC(C)C)CCCCN)CCCCN)CCCN=C(N)N)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CCSC)CCCN=C(N)N)CCC(=O)O)C(C)C)CO)C)CC(C)C)Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(N)C)CO)CCC(=O)O)CCC(=O)N)CC(C)C)CCSC)Cc1nc[nH]c1)CC(=O)N)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C" . "QSJWQIQDNBBZSH-NEAXTQLLSA-N" . "InChI=1S/C180H291N55O48S2/c1-23-96(18)145(235-160(264)115(50-55-140(246)247)212-172(276)131(83-236)231-176(280)142(93(12)13)232-146(250)97(19)184)177(281)216-113(48-53-135(187)240)157(261)219-121(68-91(8)9)164(268)214-117(57-64-285-22)159(263)224-125(73-102-80-195-86-202-102)167(271)225-127(75-136(188)241)169(273)217-118(65-88(2)3)148(252)200-82-138(243)205-106(41-29-32-58-181)149(253)223-124(72-101-79-194-85-201-101)166(270)220-119(66-89(4)5)161(265)204-98(20)147(251)230-132(84-237)173(277)234-143(94(14)15)174(278)215-114(49-54-139(244)245)154(258)208-109(44-35-61-197-179(190)191)152(256)213-116(56-63-284-21)158(262)210-111(46-51-133(185)238)155(259)222-123(71-100-78-199-105-40-28-27-39-104(100)105)165(269)221-122(69-92(10)11)162(266)209-110(45-36-62-198-180(192)193)151(255)206-107(42-30-33-59-182)150(254)207-108(43-31-34-60-183)153(257)218-120(67-90(6)7)163(267)211-112(47-52-134(186)239)156(260)227-129(77-141(248)249)171(275)233-144(95(16)17)175(279)228-126(74-103-81-196-87-203-103)168(272)226-128(76-137(189)242)170(274)229-130(178(282)283)70-99-37-25-24-26-38-99/h24-28,37-40,78-81,85-98,106-132,142-145,199,236-237H,23,29-36,41-77,82-84,181-184H2,1-22H3,(H2,185,238)(H2,186,239)(H2,187,240)(H2,188,241)(H2,189,242)(H,194,201)(H,195,202)(H,196,203)(H,200,252)(H,204,265)(H,205,243)(H,206,255)(H,207,254)(H,208,258)(H,209,266)(H,210,262)(H,211,267)(H,212,276)(H,213,256)(H,214,268)(H,215,278)(H,216,281)(H,217,273)(H,218,257)(H,219,261)(H,220,270)(H,221,269)(H,222,259)(H,223,253)(H,224,263)(H,225,271)(H,226,272)(H,227,260)(H,228,279)(H,229,274)(H,230,251)(H,231,280)(H,232,250)(H,233,275)(H,234,277)(H,235,264)(H,244,245)(H,246,247)(H,248,249)(H,282,283)(H4,190,191,197)(H4,192,193,198)/t96-,97-,98-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-,145-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CC(=O)N)Cc1nc[nH]c1)C(C)C)CC(=O)O)CCC(=O)N)CC(C)C)CCCCN)CCCCN)CCCN=C(N)N)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)C(C)C)CCCN=C(N)N)CCC(=O)O)CCSC)CO)CC(=O)N)CC(C)C)Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(CO)N)CO)CCC(=O)O)CCC(=O)N)CC(C)C)CCSC)Cc1nc[nH]c1)CC(=O)N)CC(C)C" . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C" . "OGBMKVWORPGQRR-UMXFMPSGSA-N" . "InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1" . "CC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "OYXZMSRRJOYLLO-KGZHIOMZSA-N" . "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1" . "CC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "OYXZMSRRJOYLLO-RVOWOUOISA-N" . "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1" . "SCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)C(C)C)CCCN=C(N)N)C(C)C)CC(C)C)C)CCCN=C(N)N)C(C)C)Cc1ccccc1)Cc1c[nH]cn1)Cc1c[nH]cn1)N " . "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C" . "RSEFVJQOZGIWEG-VBMLHUJMSA-N" . "InChI=1S/C65H105N23O14S2/c1-32(2)21-43(58(96)87-49(33(3)4)61(99)81-42(18-14-20-74-65(69)70)55(93)86-51(35(7)8)62(100)85-47(29-104)63(101)102)82-52(90)36(9)78-54(92)41(17-13-19-73-64(67)68)80-60(98)50(34(5)6)88-59(97)44(22-37-15-11-10-12-16-37)83-57(95)46(24-39-26-72-31-77-39)84-56(94)45(23-38-25-71-30-76-38)79-48(89)27-75-53(91)40(66)28-103/h10-12,15-16,25-26,30-36,40-47,49-51,103-104H,13-14,17-24,27-29,66H2,1-9H3,(H,71,76)(H,72,77)(H,75,91)(H,78,92)(H,79,89)(H,80,98)(H,81,99)(H,82,90)(H,83,95)(H,84,94)(H,85,100)(H,86,93)(H,87,96)(H,88,97)(H,101,102)(H4,67,68,73)(H4,69,70,74)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,49-,50-,51-/m0/s1" . "CC(C12COP(=S)(OC1)OC2)(C)C" . "CC(C12COP(=[35S])(OC1)OC2)(C)C" . "VTBHBNXGFPTBJL-DLSVHHIMSA-N" . "InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3/i13+3" . "FCCN1Cc2c(ncn2c2c(C1=O)cc(F)cc2)C(=O)OCC" . "[18F]CCN1Cc2c(ncn2c2c(C1=O)cc(F)cc2)C(=O)OCC" . "NRBIGDVWCXXFLI-SJPDSGJFSA-N" . "InChI=1S/C16H15F2N3O3/c1-2-24-16(23)14-13-8-20(6-5-17)15(22)11-7-10(18)3-4-12(11)21(13)9-19-14/h3-4,7,9H,2,5-6,8H2,1H3/i17-1" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F" . "OFBIFZUFASYYRE-UHFFFAOYSA-N" . "InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3" . "O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1" . "O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1" . "XTYGFVVANLMBHE-UHFFFAOYSA-N" . "InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]" . "CFSOJZTUTOQNIA-UHFFFAOYSA-N" . "InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)C#C" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)C#C" . "WDTNKNNGHGOKBH-UHFFFAOYSA-N" . "InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3" . "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC" . "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC" . "YKYOQIXTECBVBB-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3" . "Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C" . "Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C" . "ZAFYATHCZYHLPB-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3" . "CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F" . "CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F" . "PPTYJKAXVCCBDU-UHFFFAOYSA-N" . "InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3" . "CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC" . "CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC" . "DBABZHXKTCFAPX-UHFFFAOYSA-N" . "InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)" . "CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O" . "CC/C=C/C[C@@H](/C=C/C=C/C=C/C=C/[C@@H]([C@H](C/C=C/CCC(=O)O)O)O)O" . "OIWTWACQMDFHJG-LDOXQWQISA-N" . "InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21-/m0/s1" . "CC(NCCN(S(=O)(=O)c1ccc(cc1Cl)Cl)C(C)C)C" . "CC(NCCN(S(=O)(=O)c1ccc(cc1Cl)Cl)C(C)C)C" . "IHYZMEAZAIFMTN-UHFFFAOYSA-N" . "InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3" . "OC1CCC2(C(=CC(C3C2CCC2(C3CCC2C(CCCC(O)(C)C)C)C)O)C1)C" . "O[C@H]1CC[C@]2(C(=C[C@@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C)O)C1)C" . "BQMSKLCEWBSPPY-CGSQRZAOSA-N" . "InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,26+,27-/m1/s1" . "OCC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "RXMHNAKZMGJANZ-BMOLSTJGSA-N" . "InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1" . "OCC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "RXMHNAKZMGJANZ-GNENNHQYSA-N" . "InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1" . "OC1CCC2(C(=CC(C3C2CCC2(C3CCC2C(CCCC(O)(C)C)C)C)O)C1)C" . "O[C@H]1CC[C@]2(C(=C[C@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C)O)C1)C" . "BQMSKLCEWBSPPY-IKVTXIKFSA-N" . "InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Fe+2]" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Fe+2]" . "KABFMIBPWCXCRK-UHFFFAOYSA-L" . "InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2" . "CCOC(=O)c1ncc2c(c1C)c1c(cccc1[nH]2)OC(C)C" . "CCOC(=O)c1ncc2c(c1C)c1c(cccc1[nH]2)OC(C)C" . "VMDUABMKBUKKPG-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3" . "COCc1c(ncc2c1c1cc(OCc3ccccc3)ccc1[nH]2)C(=O)OCC" . "COCc1c(ncc2c1c1cc(OCc3ccccc3)ccc1[nH]2)C(=O)OCC" . "ALBKMJDFBZVHAK-UHFFFAOYSA-N" . "InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3" . "C1CCCC2CCCN3C2OC(CCCCCCC2C4OC(CC1)CCN4CCC2)CC3" . "C1CCC[C@@H]2CCCN3[C@@H]2O[C@@H](CCCCCC[C@@H]2[C@H]4O[C@@H](CC1)CCN4CCC2)CC3" . "PQYOPBRFUUEHRC-MUJQFDPKSA-N" . "InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m0/s1" . "COc1ccc(cc1)NC(=O)C1CC(C)CCC1C(C)C" . "COc1ccc(cc1)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C" . "HNSGVPAAXJJOPQ-XOKHGSTOSA-N" . "InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1" . "O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C" . "O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C" . "PURKAOJPTOLRMP-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)" . "Cc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1)O" . "Cc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1)O" . "AQWKVJFRGORALM-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18)" . "COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1nc(OC2CCCCC2)c2c(n1)cccc2)C" . "COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1nc(OC2CCCCC2)c2c(n1)cccc2)C" . "FJNFVCAHHFNREI-UHFFFAOYSA-N" . "InChI=1S/C27H34N4O4S/c1-20(30-16-18-31(19-17-30)36(32,33)23-14-12-21(34-2)13-15-23)26-28-25-11-7-6-10-24(25)27(29-26)35-22-8-4-3-5-9-22/h6-7,10-15,20,22H,3-5,8-9,16-19H2,1-2H3" . "O=C(Oc1cccc(c1)c1cccc(c1)C(=O)N)NC1CCCCC1" . "O=C(Oc1cccc(c1)c1cccc(c1)C(=O)N)NC1CCCCC1" . "ROFVXGGUISEHAM-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)" . "Clc1cccc(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F" . "Clc1cccc(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F" . "NMPJFFWYEIIGFW-UHFFFAOYSA-N" . "InChI=1S/C14H8ClF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7H,(H,19,21)" . "O=c1cc(oc2c1cc(c1ccco1)c1c2cccc1)c1ccncc1" . "O=c1cc(oc2c1cc(c1ccco1)c1c2cccc1)c1ccncc1" . "YYRINQRAIIGEQV-UHFFFAOYSA-N" . "InChI=1S/C22H13NO3/c24-19-13-21(14-7-9-23-10-8-14)26-22-16-5-2-1-4-15(16)17(12-18(19)22)20-6-3-11-25-20/h1-13H" . "O=c1cc(oc2c1ccc1c2cccc1)c1ccncc1" . "O=c1cc(oc2c1ccc1c2cccc1)c1ccncc1" . "LZCOBWKVDSSOBB-UHFFFAOYSA-N" . "InChI=1S/C18H11NO2/c20-16-11-17(13-7-9-19-10-8-13)21-18-14-4-2-1-3-12(14)5-6-15(16)18/h1-11H" . "NC(C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1ccsc1C(=O)O" . "N[C@H](C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1ccsc1C(=O)O" . "ZTAZUCRXCRXNSU-VIFPVBQESA-N" . "InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1" . "NC(C(=O)O)Cn1ccc(=O)n(c1=O)Cc1ccccc1C(=O)O" . "N[C@H](C(=O)O)Cn1ccc(=O)n(c1=O)Cc1ccccc1C(=O)O" . "UUIYULWYHDSXHL-NSHDSACASA-N" . "InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1" . "CCN(c1cccc(c1)c1ccnc2n1ncc2C#N)C(=O)C" . "CCN(c1cccc(c1)c1ccnc2n1ncc2C#N)C(=O)C" . "HUNXMJYCHXQEGX-UHFFFAOYSA-N" . "InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3" . "CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C" . "CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C" . "XSCGXQMFQXDFCW-UHFFFAOYSA-N" . "InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3" . "Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N" . "Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N" . "FNYLWPVRPXGIIP-UHFFFAOYSA-N" . "InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)" . "[O-]P(=O)(C1=CC[NH2+]CC1)C" . "[O-]P(=O)(C1=CC[NH2+]CC1)C" . "MFUKVPOVVKKLRQ-UHFFFAOYSA-N" . "InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)" . "CCn1ncnc1COc1nn2c(cc1C(C)(C)C)nnc2c1ccccc1F" . "CCn1ncnc1COc1nn2c(cc1C(C)(C)C)nnc2c1ccccc1F" . "QKIWQBLNTSQOLY-UHFFFAOYSA-N" . "InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3" . "N#Cc1cc(F)ccc1c1cc(ccc1F)c1cnc2n1ccc(c2F)C(O)(C)C" . "N#Cc1cc(F)ccc1c1cc(ccc1F)c1cnc2n1ccc(c2F)C(O)(C)C" . "SJMMDWXJSSJHOQ-UHFFFAOYSA-N" . "InChI=1S/C23H16F3N3O/c1-23(2,30)18-7-8-29-20(12-28-22(29)21(18)26)13-3-6-19(25)17(10-13)16-5-4-15(24)9-14(16)11-27/h3-10,12,30H,1-2H3" . "ClCCC(=C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1" . "ClCC/C(=C(/c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1" . "XFCLJVABOIYOMF-QPLCGJKRSA-N" . "InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-" . "NC1=NC=NC2=[N+](C=NC12)c1oc(c2c1OC1(O2)C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])COP(=O)(OP(=O)(OP(=O)([O-])[O-])O)O" . "NC1=NC=NC2=[N+](C=NC12)c1oc(c2c1OC1(O2)C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])COP(=O)(OP(=O)(OP(=O)([O-])[O-])O)O" . "NHXFSKZBEIIARS-UHFFFAOYSA-M" . "InChI=1S/C16H13N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,8,10,17H,3H2,(H4,31,32,33,34,35,36,37)/p-1" . "CCN(CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC" . "CCN(CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC" . "IBQMHBGFMLHHLE-UHFFFAOYSA-N" . "InChI=1S/C22H37NO5/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4/h16-17H,6-15H2,1-5H3" . "O=c1[nH]oc2c1CCNC2" . "O=c1[nH]oc2c1CCNC2" . "ZXRVKCBLGJOCEE-UHFFFAOYSA-N" . "InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)" . "OCC(=O)C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O" . "OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@H](C2)O" . "CYKYBWRSLLXBOW-GDYGHMJCSA-N" . "InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1" . "CC(C12COP(=S)(OC1)OC2)(C)C" . "CC(C12COP(=S)(OC1)OC2)(C)C" . "VTBHBNXGFPTBJL-UHFFFAOYSA-N" . "InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3" . "O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC1C(COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)OC(C(C1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O" . "O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O" . "LRBQNJMCXXYXIU-PPKXGCFTSA-N" . "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1" . "CC(OC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)[N+](=O)[O-])C)C" . "CC(OC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)[N+](=O)[O-])C)C" . "LYFZEFDZKPJBJK-UHFFFAOYSA-N" . "InChI=1S/C17H18N4O5/c1-8(2)25-17(22)13-9(3)18-10(4)16(21(23)24)14(13)11-6-5-7-12-15(11)20-26-19-12/h5-8,14,18H,1-4H3" . "S=C=Nc1ccc(c(c1)C=Cc1ccc(cc1S(=O)(=O)O)NC(=O)C)S(=O)(=O)O" . "S=C=Nc1ccc(c(c1)/C=C/c1ccc(cc1S(=O)(=O)O)NC(=O)C)S(=O)(=O)O" . "JPFIABFQSOJRGG-NSCUHMNNSA-N" . "InChI=1S/C17H14N2O7S3/c1-11(20)19-15-5-4-12(17(9-15)29(24,25)26)2-3-13-8-14(18-10-27)6-7-16(13)28(21,22)23/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/b3-2+" . "CCCCCCCCC=CCCCCCCCC(=O)N" . "CCCCCCCC/C=C/CCCCCCCC(=O)N" . "FATBGEAMYMYZAF-KTKRTIGZSA-N" . "InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-" . "CCCCC1CCN(CC1)CCCN1C(=O)CCc2c1cccc2" . "CCCCC1CCN(CC1)CCCN1C(=O)CCc2c1cccc2" . "PHMGZAICAOYEAF-UHFFFAOYSA-N" . "InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3" . "C=CCNC(=O)c1c[nH]c2c(c1=O)cc(cc2)S(=O)(=O)N(c1ccccc1OCC)C" . "C=CCNC(=O)c1c[nH]c2c(c1=O)cc(cc2)S(=O)(=O)N(c1ccccc1OCC)C" . "IVIJZILSKWHMIO-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O5S/c1-4-12-23-22(27)17-14-24-18-11-10-15(13-16(18)21(17)26)31(28,29)25(3)19-8-6-7-9-20(19)30-5-2/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,23,27)(H,24,26)" . "O=C(Nc1ccccc1Br)NC1CCN(C1)c1ccc(cn1)C(F)(F)F" . "O=C(Nc1ccccc1Br)N[C@@H]1CCN(C1)c1ccc(cn1)C(F)(F)F" . "JYILLRHXRVTRSH-GFCCVEGCSA-N" . "InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1" . "CCN(c1cccc(c1)C)CCNC(=O)Nc1ccccc1Br" . "CCN(c1cccc(c1)C)CCNC(=O)Nc1ccccc1Br" . "IFJYEGJUQIBBQV-UHFFFAOYSA-N" . "InChI=1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)" . "COc1cccc(c1)NC(=O)C=Cc1ccc(cc1)Cl" . "COc1cccc(c1)NC(=O)/C=C/c1ccc(cc1)Cl" . "RYAMDQKWNKKFHD-JXMROGBWSA-N" . "InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+" . "Oc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)F)c1ccncc1" . "Oc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)F)c1ccncc1" . "QHKYPYXTTXKZST-UHFFFAOYSA-N" . "InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)" . "OC(=O)c1ccccc1O" . "OC(=O)c1ccccc1O" . "YGSDEFSMJLZEOE-UHFFFAOYSA-N" . "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" . "OCCNC(=O)C(Sc1c[nH]c2c1c(C)ccc2)CC(C)C" . "OCCNC(=O)C(Sc1c[nH]c2c1c(C)ccc2)CC(C)C" . "FTNIWEHRMFLJKE-UHFFFAOYSA-N" . "InChI=1S/C17H24N2O2S/c1-11(2)9-14(17(21)18-7-8-20)22-15-10-19-13-6-4-5-12(3)16(13)15/h4-6,10-11,14,19-20H,7-9H2,1-3H3,(H,18,21)" . "O=S1(=O)NC2CCCN2c2c1cccc2" . "O=S1(=O)N[C@H]2CCCN2c2c1cccc2" . "MNTIJYGEITVWHU-SNVBAGLBSA-N" . "InChI=1S/C10H12N2O2S/c13-15(14)9-5-2-1-4-8(9)12-7-3-6-10(12)11-15/h1-2,4-5,10-11H,3,6-7H2/t10-/m1/s1" . "CC1CCC2(C3(C1O)OC1(C4(C3(O)C(C2(C)C1)(O)C(C4(O)C(C)C)OC(=O)c1[nH]ccc1)C)O)O" . "C[C@H]1CC[C@]2([C@@]3([C@@H]1O)O[C@@]1([C@]4([C@@]3(O)[C@@]([C@@]2(C)C1)(O)[C@@H]([C@]4(O)C(C)C)OC(=O)c1[nH]ccc1)C)O)O" . "JJSYXNQGLHBRRK-SFEDZAPPSA-N" . "InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1" . "C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C" . "C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C" . "YTUMMZANIYQNOM-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3" . "OC(CN1CCC(=CC1)c1ccc(cc1)F)COc1ccc(cc1)C(=O)N" . "OC(CN1CCC(=CC1)c1ccc(cc1)F)COc1ccc(cc1)C(=O)N" . "HFHFPCVDUCBNLG-UHFFFAOYSA-N" . "InChI=1S/C21H23FN2O3/c22-18-5-1-15(2-6-18)16-9-11-24(12-10-16)13-19(25)14-27-20-7-3-17(4-8-20)21(23)26/h1-9,19,25H,10-14H2,(H2,23,26)" . "Brc1ccc2c(c1)c1ncnn1Cc1n2cnc1C(F)F" . "Brc1ccc2c(c1)c1ncnn1Cc1n2cnc1C(F)F" . "AFJRYPJIKHMNGL-UHFFFAOYSA-N" . "InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2" . "COc1cc(Cc2cnc(nc2N)N)c(cc1OC)C(C)C" . "COc1cc(Cc2cnc(nc2N)N)c(cc1OC)C(C)C" . "PYNPWUIBJMVRIG-UHFFFAOYSA-N" . "InChI=1S/C16H22N4O2/c1-9(2)12-7-14(22-4)13(21-3)6-10(12)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)" . "CN1Cc2c(ncn2c2c(C1=O)scc2)C(=O)OC(C)(C)C" . "CN1Cc2c(ncn2c2c(C1=O)scc2)C(=O)OC(C)(C)C" . "ZIGMMUKDYCABPW-UHFFFAOYSA-N" . "InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]" . "CFSOJZTUTOQNIA-UHFFFAOYSA-N" . "InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3" . "Clc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)Cc1ccccc1" . "Clc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)Cc1ccccc1" . "ZNLVYSJQUMALEO-UHFFFAOYSA-N" . "InChI=1S/C17H18ClN3O4S/c18-15-6-7-17(16(12-15)21(22)23)26(24,25)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2" . "CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)NC(=O)C(=C(Cl)Cl)Cl" . "CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)NC(=O)C(=C(Cl)Cl)Cl" . "RZHGONNSASQOAY-UHFFFAOYSA-N" . "InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)" . "Clc1ccc(cc1)C(=O)Nc1c(nc2n1cc(Br)cc2Br)c1cccs1" . "Clc1ccc(cc1)C(=O)Nc1c(nc2n1cc(Br)cc2Br)c1cccs1" . "MEWSBNIVOLYKGU-UHFFFAOYSA-N" . "InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)C(O)C)CCCCN)C(O)C)CCCCN)C(C)C)CS)C(C)C)CCC(=O)O)Cc1ccccc1)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)CC(=O)O)CS)CCCCN)CCCCN)CS)CC(=O)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(=O)O)CS)CS)CCC(=O)O)CC(C)C)CCC(=O)O)CS" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)CCCCN)[C@H](O)C)CCCCN)C(C)C)CS)C(C)C)CCC(=O)O)Cc1ccccc1)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)CS)CCCCN)CCCCN)CS)CC(=O)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(=O)O)CS)CS)CCC(=O)O)CC(C)C)CCC(=O)O)CS" . "OWCAPCHWSIBSKD-ACYSAVFESA-N" . "InChI=1S/C200H319N63O56S6/c1-13-102(10)157(258-188(311)139(95-324)252-181(304)133(83-153(281)282)243-161(284)111(206)56-60-148(271)272)195(318)262-74-36-54-142(262)190(313)240-116(46-23-28-66-203)168(291)245-128(78-106-84-222-112-42-19-17-40-109(106)112)177(300)231-114(44-21-26-64-201)162(285)224-89-147(270)230-135(91-320)186(309)256-154(99(4)5)192(315)248-131(81-144(207)267)179(302)236-121(51-33-71-220-199(213)214)169(292)247-130(80-108-86-217-97-227-108)164(287)226-88-146(269)229-132(82-152(279)280)180(303)251-138(94-323)185(308)253-136(92-321)183(306)237-123(57-61-149(273)274)163(286)225-87-145(268)228-126(76-98(2)3)175(298)238-124(58-62-150(275)276)171(294)250-137(93-322)184(307)246-129(79-107-85-223-113-43-20-18-41-110(107)113)178(301)235-115(45-22-27-65-202)165(288)232-119(49-31-69-218-197(209)210)166(289)233-120(50-32-70-219-198(211)212)167(290)234-122(52-34-72-221-200(215)216)170(293)249-134(90-264)182(305)244-127(77-105-38-15-14-16-39-105)176(299)239-125(59-63-151(277)278)174(297)255-155(100(6)7)193(316)254-140(96-325)187(310)257-156(101(8)9)194(317)261-73-35-53-141(261)189(312)242-118(48-25-30-68-205)173(296)260-159(104(12)266)196(319)263-75-37-55-143(263)191(314)241-117(47-24-29-67-204)172(295)259-158(103(11)265)160(208)283/h14-20,38-43,84-86,97-104,111,114-143,154-159,222-223,264-266,320-325H,13,21-37,44-83,87-96,201-206H2,1-12H3,(H2,207,267)(H2,208,283)(H,217,227)(H,224,285)(H,225,286)(H,226,287)(H,228,268)(H,229,269)(H,230,270)(H,231,300)(H,232,288)(H,233,289)(H,234,290)(H,235,301)(H,236,302)(H,237,306)(H,238,298)(H,239,299)(H,240,313)(H,241,314)(H,242,312)(H,243,284)(H,244,305)(H,245,291)(H,246,307)(H,247,292)(H,248,315)(H,249,293)(H,250,294)(H,251,303)(H,252,304)(H,253,308)(H,254,316)(H,255,297)(H,256,309)(H,257,310)(H,258,311)(H,259,295)(H,260,296)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H4,209,210,218)(H4,211,212,219)(H4,213,214,220)(H4,215,216,221)/t102-,103+,104+,111-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,154-,155-,156-,157-,158-,159-/m0/s1" . "CCN(CCOC(=O)c1ccc(cc1)N)CC" . "CCN(CCOC(=O)c1ccc(cc1)N)CC" . "MFDFERRIHVXMIY-UHFFFAOYSA-N" . "InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3" . "CC(=O)C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)O" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O" . "DIJBBUIOWGGQOP-QGVNFLHTSA-N" . "InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1" . "OC(=O)C(Cc1cccc(c1)c1ccccc1CP(=O)(O)O)N" . "OC(=O)C(Cc1cccc(c1)c1ccccc1CP(=O)(O)O)N" . "NCEGJIHRQBRVJQ-UHFFFAOYSA-N" . "InChI=1S/C16H18NO5P/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-23(20,21)22/h1-8,15H,9-10,17H2,(H,18,19)(H2,20,21,22)" . "NC(=O)CN1CCCC1=O" . "NC(=O)CN1CCCC1=O" . "GMZVRMREEHBGGF-UHFFFAOYSA-N" . "InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)" . "OS(=O)(=O)C1CCNCC1" . "OS(=O)(=O)C1CCNCC1" . "UGBJGGRINDTHIH-UHFFFAOYSA-N" . "InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)" . "O=C1OC2C(C1C1(O)CC3C4(C1(C2OC4=O)C)O3)C(O)(C)C" . "O=C1O[C@@H]2[C@H]([C@H]1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C" . "RYEFFICCPKWYML-QCGISDTRSA-N" . "InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1" . "Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O" . "Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O" . "VGEREEWJJVICBM-UHFFFAOYSA-N" . "InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2" . "O=C(C(N(C(=O)Cc1c[nH]c2c1cccc2)C)c1ccccc1)Nc1ccc(cc1)C(C)C" . "O=C(C(N(C(=O)Cc1c[nH]c2c1cccc2)C)c1ccccc1)Nc1ccc(cc1)C(C)C" . "PQAYCXMQTUEDRD-UHFFFAOYSA-N" . "InChI=1S/C28H29N3O2/c1-19(2)20-13-15-23(16-14-20)30-28(33)27(21-9-5-4-6-10-21)31(3)26(32)17-22-18-29-25-12-8-7-11-24(22)25/h4-16,18-19,27,29H,17H2,1-3H3,(H,30,33)" . "CCCCCCC(OC(=O)Cc1ccccc1)CC=CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O" . "CCCCCC[C@@H](OC(=O)Cc1ccccc1)C/C=C/CCCCCCCC(=O)NCc1ccc(c(c1)OC)O" . "LXLBUUJANYSIKU-SSBKBLCMSA-N" . "InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+/t30-/m1/s1" . "C1CCC(CC1)(N1CCCCC1)c1ccccc1" . "C1CCC(CC1)(N1CCCCC1)c1ccccc1" . "JTJMJGYZQZDUJJ-UHFFFAOYSA-N" . "InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2" . "NC(=NC(=O)c1nc(Cl)c(nc1N)N)Nc1ccccc1" . "N/C(=N/C(=O)c1nc(Cl)c(nc1N)N)/Nc1ccccc1" . "NIOHELZQFBGCEO-UHFFFAOYSA-N" . "InChI=1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(H3,16,17,20,21)" . "OCC(COc1ccc(cc1)CCCCN=C(NC(=O)c1nc(Cl)c(nc1N)N)N)O" . "OCC(COc1ccc(cc1)CCCCN=C(NC(=O)c1nc(Cl)c(nc1N)N)N)O" . "NTRKMGDUWYBLMS-UHFFFAOYSA-N" . "InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30)" . "COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C" . "COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C" . "SUBDBMMJDZJVOS-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)" . "CCCCCCCCO" . "CCCCCCCCO" . "KBPLFHHGFOOTCA-UHFFFAOYSA-N" . "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" . "O=C(c1cnn2c1nccc2c1ccncc1)c1ccccn1" . "O=C(c1cnn2c1nccc2c1ccncc1)c1ccccn1" . "OQJFBUOFGHPMSR-UHFFFAOYSA-N" . "InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H" . "Brc1ccc(cc1)C(NC(P(=O)(O)O)c1cccc2c1[nH]c(=O)c(=O)[nH]2)C" . "Brc1ccc(cc1)[C@@H](N[C@@H](P(=O)(O)O)c1cccc2c1[nH]c(=O)c(=O)[nH]2)C" . "XXZGNAZRWCBSBK-XYZCENFISA-N" . "InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17-/m0/s1" . "O=C(Nc1cc(Cl)cc(c1)Cl)Nc1ccc(c(c1)c1[nH]nnn1)c1ccc(cc1)C(=O)N(C)C" . "O=C(Nc1cc(Cl)cc(c1)Cl)Nc1ccc(c(c1)c1[nH]nnn1)c1ccc(cc1)C(=O)N(C)C" . "FQIPXFVYNAMLDB-UHFFFAOYSA-N" . "InChI=1S/C23H19Cl2N7O2/c1-32(2)22(33)14-5-3-13(4-6-14)19-8-7-17(12-20(19)21-28-30-31-29-21)26-23(34)27-18-10-15(24)9-16(25)11-18/h3-12H,1-2H3,(H2,26,27,34)(H,28,29,30,31)" . "OC(=O)c1ccccc1Nc1ccccc1" . "OC(=O)c1ccccc1Nc1ccccc1" . "ZWJINEZUASEZBH-UHFFFAOYSA-N" . "InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)" . "O=C(c1ccccc1)Nc1cc(NC(=O)c2ccccc2)c(cc1C(=O)O)C(=O)O" . "O=C(c1ccccc1)Nc1cc(NC(=O)c2ccccc2)c(cc1C(=O)O)C(=O)O" . "UUDYZUDTQPLDDP-UHFFFAOYSA-N" . "InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)" . "O=C(Nc1ccc(cc1c1[nH]nnn1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "O=C(Nc1ccc(cc1c1[nH]nnn1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "AEFYFGMSRKDXHZ-UHFFFAOYSA-N" . "InChI=1S/C16H9BrF6N6O/c17-9-1-2-12(11(6-9)13-26-28-29-27-13)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)" . "Oc1ccc(cc1n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)C(F)(F)F" . "Oc1ccc(cc1n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)C(F)(F)F" . "YLFMCMWKHSDUCT-UHFFFAOYSA-N" . "InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)" . "Clc1ccc(c(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)O" . "Clc1ccc(c(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)O" . "WYLYBVMNGZOYOH-UHFFFAOYSA-N" . "InChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)" . "OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]" . "OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]" . "WBSMIPAMAXNXFS-UHFFFAOYSA-N" . "InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)" . "CN(CCC1(CCc2c(C1C(C)C)ccc(c2)F)OC(=O)C1CC1)CCCc1nc2c([nH]1)cccc2" . "CN(CC[C@]1(CCc2c([C@@H]1C(C)C)ccc(c2)F)OC(=O)C1CC1)CCCc1nc2c([nH]1)cccc2" . "VHHVPDKNKPNKHY-JDXGNMNLSA-N" . "InChI=1S/C30H38FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33)/t28-,30-/m0/s1" . "CNC(C(=O)O)CC(=O)O" . "CN[C@@H](C(=O)O)CC(=O)O" . "HOKKHZGPKSLGJE-GSVOUGTGSA-N" . "InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1" . "[Na]OS(=O)(=O)c1cc(ccc1NC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc(c1)C(=O)Nc1ccc(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]" . "[Na]OS(=O)(=O)c1cc(ccc1NC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc(c1)C(=O)Nc1ccc(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]" . "KCBZSNWCUJBMHF-UHFFFAOYSA-F" . "InChI=1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76;;;;;;;;/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;;;/q;8*+1/p-8" . "[Na]OS(=O)(=O)c1cc(cc2c1c(ccc2S(=O)(=O)O[Na])NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]" . "[Na]OS(=O)(=O)c1cc(cc2c1c(ccc2S(=O)(=O)O[Na])NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]" . "FMQURVHYTBGYSQ-UHFFFAOYSA-H" . "InChI=1S/C35H26N4O21S6.6Na/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60;;;;;;/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6" . "CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O" . "CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O" . "HCZKYJDFEPMADG-UHFFFAOYSA-N" . "InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3" . "[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1c(ccc2)S(=O)(=O)N" . "[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1c(ccc2)S(=O)(=O)N" . "UQNAFPHGVPVTAL-UHFFFAOYSA-N" . "InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)" . "COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1" . "COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1" . "JEYWNNAZDLFBFF-UHFFFAOYSA-N" . "InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3" . "NC(=Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)ccc(c2)C(=N)N)N" . "NC(=Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)ccc(c2)C(=N)N)N" . "MQQNFDZXWVTQEH-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)" . "CCCCC(C1(O)CCC2C(O1)CC(=O)C2CCCCCCC(=O)O)(F)F" . "CCCCC([C@@]1(O)CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)(F)F" . "WGFOBBZOWHGYQH-MXHNKVEKSA-N" . "InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15-,17-,20-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCc1ccc(c(c1)O)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCc1ccc(c(c1)O)O" . "MVVPIAAVGAWJNQ-DOFZRALJSA-N" . "InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-" . "NCCCNCCCCNCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C" . "NCCCNCCCCNCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C" . "NSUSGNAFCIMCDH-UHFFFAOYSA-N" . "InChI=1S/C22H37N5O2S/c1-27(2)21-11-5-10-20-19(21)9-6-12-22(20)30(28,29)26-18-8-17-25-15-4-3-14-24-16-7-13-23/h5-6,9-12,24-26H,3-4,7-8,13-18,23H2,1-2H3" . "NCc1cc(=O)[nH]o1" . "NCc1cc(=O)[nH]o1" . "ZJQHPWUVQPJPQT-UHFFFAOYSA-N" . "InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)" . "[O-]C(=O)C(CC1(OC2C(C1)OCCC2)C(=O)[O-])[NH3+]" . "[O-]C(=O)[C@H](C[C@]1(O[C@H]2[C@@H](C1)OCCC2)C(=O)[O-])[NH3+]" . "RZIYCCQNKHONBB-PRKAOEEVSA-M" . "InChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/p-1/t6-,7+,8+,11+/m0/s1" . "Cc1onc(c1)c1nncc2n1nc(c2C(C)(C)C)OCc1ncnn1C" . "Cc1onc(c1)c1nncc2n1nc(c2C(C)(C)C)OCc1ncnn1C" . "QYSYOGCIDRANAR-UHFFFAOYSA-N" . "InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3" . "Clc1cccc2c1cccc2S(=O)(=O)N1CCNCCC1" . "Clc1cccc2c1cccc2S(=O)(=O)N1CCNCCC1" . "OZSMSRIUUDGTEP-UHFFFAOYSA-N" . "InChI=1S/C15H17ClN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2" . "Cc1cc(nc2c1cccc2)N1CCCCC1" . "Cc1cc(nc2c1cccc2)N1CCCCC1" . "USYRQXDHKXGTCK-UHFFFAOYSA-N" . "InChI=1S/C15H18N2/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3" . "Nc1cc(nc([n+]1[O-])N)N1CCCCC1" . "Nc1cc(nc([n+]1[O-])N)N1CCCCC1" . "ZFMITUMMTDLWHR-UHFFFAOYSA-N" . "InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)" . "CC12CC3CC(C1)(C)CC(C2)(C3)N" . "CC12CC3CC(C1)(C)CC(C2)(C3)N" . "BUGYDGFZZOZRHP-UHFFFAOYSA-N" . "InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3" . "OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1" . "OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1" . "XEEQGYMUWCZPDN-UHFFFAOYSA-N" . "InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2" . "CNC(=O)c1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)(F)C" . "CNC(=O)c1ccc(cc1)c1ccc(cc1)[C@](CNS(=O)(=O)C(C)C)(F)C" . "MFJKNXILEXBWNQ-FQEVSTJZSA-N" . "InChI=1S/C20H25FN2O3S/c1-14(2)27(25,26)23-13-20(3,21)18-11-9-16(10-12-18)15-5-7-17(8-6-15)19(24)22-4/h5-12,14,23H,13H2,1-4H3,(H,22,24)/t20-/m0/s1" . "OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F" . "OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F" . "OXQXJYQSWZFDBB-UHFFFAOYSA-N" . "InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)" . "N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C" . "N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C" . "HOQAVGZLYRYHSO-UHFFFAOYSA-N" . "InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3" . "CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C" . "CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C" . "CECANHFDVPUVMI-UHFFFAOYSA-N" . "InChI=1S/C18H22FNO2S/c1-13(2)23(21,22)20-12-14(3)15-8-10-16(11-9-15)17-6-4-5-7-18(17)19/h4-11,13-14,20H,12H2,1-3H3" . "OC(=O)C1NCC2C(C1)CC(CC2)Cc1ccc(cc1)C(=O)O" . "OC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)Cc1ccc(cc1)C(=O)O" . "YVMADKYPKNLVGU-BVUBDWEXSA-N" . "InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1" . "OC(=O)C(CC(C(=O)O)N)CC=Cc1ccc2c(c1)cccc2" . "OC(=O)C(CC(C(=O)O)N)C/C=C/c1ccc2c(c1)cccc2" . "KNAYYBRIBNEIAL-ONEGZZNKSA-N" . "InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+" . "OC(=O)C1NCC2C(C1)CC(CC2)CCc1nnn[nH]1" . "OC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)CCc1nnn[nH]1" . "ZXFRFPSZAKNPQQ-YTWAJWBKSA-N" . "InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1" . "OC(=O)C1NCC2C(C1)CC(CC2)Cc1nnn[nH]1" . "OC(=O)[C@@H]1NC[C@@H]2[C@H](C1)C[C@@H](CC2)Cc1nnn[nH]1" . "ACTONBBIVMTUAJ-DOLQZWNJSA-N" . "InChI=1S/C12H19N5O2/c18-12(19)10-5-9-3-7(1-2-8(9)6-13-10)4-11-14-16-17-15-11/h7-10,13H,1-6H2,(H,18,19)(H,14,15,16,17)/t7-,8-,9+,10-/m1/s1" . "OC(=O)C1NCCC(C1)Cc1nnn[nH]1" . "OC(=O)[C@@H]1NCC[C@@H](C1)Cc1nnn[nH]1" . "FAAVTENFCLADRE-NTSWFWBYSA-N" . "InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)/t5-,6+/m0/s1" . "Fc1ccc(c(c1)c1nnc2n1nc(OCc1ncnn1C)c(c2)C(C)(C)C)F" . "Fc1ccc(c(c1)c1nnc2n1nc(OCc1ncnn1C)c(c2)C(C)(C)C)F" . "BQDUNOMMYOKHEP-UHFFFAOYSA-N" . "InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3" . "Clc1ccc2c(c1)[nH]c(c(c2=O)c1cccc(c1)Oc1ccccc1)O" . "Clc1ccc2c(c1)[nH]c(c(c2=O)c1cccc(c1)Oc1ccccc1)O" . "FLVRDMUHUXVRET-UHFFFAOYSA-N" . "InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)" . "O=C(NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1" . "O=C(N[C@@H]1C[C@H](Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1" . "UCKHICKHGAOGAP-KGLIPLIRSA-N" . "InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m1/s1" . "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC" . "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC" . "YKYOQIXTECBVBB-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3" . "OC1C(COP(=O)(OP(=O)(CP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(CP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "UFZTZBNSLXELAL-IOSLPCCCSA-N" . "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1" . "O=C(C(N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1" . "O=C([C@@H](N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1" . "RJVLFQBBRSMWHX-DHUJRADRSA-N" . "InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1" . "Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccnc2c1ccc(c2)Cl" . "Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccnc2c1ccc(c2)Cl" . "GIEHIZKCIZLXLF-UHFFFAOYSA-N" . "InChI=1S/C19H17Cl2N3O2S/c20-14-1-4-16(5-2-14)27(25,26)24-11-9-23(10-12-24)19-7-8-22-18-13-15(21)3-6-17(18)19/h1-8,13H,9-12H2" . "CNC1(CCCCC1=O)c1ccccc1Cl" . "CNC1(CCCCC1=O)c1ccccc1Cl" . "YQEZLKZALYSWHR-UHFFFAOYSA-N" . "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3" . "CS(=O)(=O)O.NC(=N)SCCc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]" . "CS(=O)(=O)O.NC(=N)SCCc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]" . "WGIKEBHIKKWJLG-UHFFFAOYSA-N" . "InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)" . "[O-]C(=O)CC1C(CNC1C(=O)[O-])C(=C)C" . "[O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(=C)C" . "VLSMHEGGTFMBBZ-OOZYFLPDSA-L" . "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1" . "S=C(NCc1ccc(cc1)C(C)(C)C)NCc1ccc(c(c1)F)NS(=O)(=O)C" . "S=C(NCc1ccc(cc1)C(C)(C)C)NCc1ccc(c(c1)F)NS(=O)(=O)C" . "DUHBVFMCIJLUJX-UHFFFAOYSA-N" . "InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)" . "NCCCNCCCCNCCC(=O)NCCCCCNC(=O)C(NC(=O)Cc1ccc(cc1O)O)CC(=O)N" . "NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(cc1O)O)CC(=O)N" . "SJLRBGDPTALRDM-QFIPXVFZSA-N" . "InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1" . "O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)Nc1ccc(cn1)C(F)(F)F" . "O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)Nc1ccc(cn1)C(F)(F)F" . "JFRYYGVYCWYIDQ-UHFFFAOYSA-N" . "InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29)" . "OC(=O)C1CCNCC1" . "OC(=O)C1CCNCC1" . "SRJOCJYGOFTFLH-UHFFFAOYSA-N" . "InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)" . "OC(=O)C1=CCNCC1" . "OC(=O)C1=CCNCC1" . "KRVDMABBKYMBHG-UHFFFAOYSA-N" . "InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)" . "OC(=O)C1NCCC(C1)CP(=O)(O)O" . "OC(=O)[C@H]1NCC[C@H](C1)CP(=O)(O)O" . "LPMRCCNDNGONCD-RITPCOANSA-N" . "InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OCC2OC(C(C2O)O)n2cnc3c2ncnc3O)OC(C1O)n1cnc2c1ncnc2O" . "OC1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OC[C@H]2O[C@H](C(C2O)O)n2cnc3c2ncnc3O)O[C@H](C1O)n1cnc2c1ncnc2O" . "GFFAYTMBCSSULP-ICIWVTHHSA-I" . "InChI=1S/C20H27N8O24P5/c29-11-7(47-19(13(11)31)27-5-25-9-15(27)21-3-23-17(9)33)1-45-57(44,52-56(42,43)51-55(40,41)50-54(38,39)49-53(35,36)37)46-2-8-12(30)14(32)20(48-8)28-6-26-10-16(28)22-4-24-18(10)34/h3-8,11-14,19-20,29-32H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H,21,23,33)(H,22,24,34)(H2,35,36,37)/p-5/t7-,8-,11?,12?,13?,14?,19-,20-,57?/m1/s1" . "OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1O)OP(=O)(O)O)OP(=O)(O)O" . "O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O" . "MRVYFOANPDTYBY-UZAAGFTCSA-N" . "InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1" . "OC1C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(C(C1O)OP(=O)([O-])[O-])O" . "O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])O" . "MMWCIQZXVOZEGG-SHFUYGGZSA-H" . "InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t1-,2-,3-,4-,5+,6+/m1/s1" . "OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1O)OP(=O)(O)O)O" . "O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)O" . "MMWCIQZXVOZEGG-XJTPDSDZSA-N" . "InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1" . "CC(=O)N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C" . "CC(=O)N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C" . "CBIAWPMZSFFRGN-UHFFFAOYSA-N" . "InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3" . "CC(=O)OC1CCC(=CCCC(=CCC2(OC1(C)CC2)C(C)C)C)C" . "CC(=O)OC1CCC(=CCCC(=CCC2(OC1(C)CC2)C(C)C)C)C" . "HVBACKJYWZTKCA-UHFFFAOYSA-N" . "InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3" . "CC1Nc2ccc(cc2S(=O)(=O)N1)Cl" . "CC1Nc2ccc(cc2S(=O)(=O)N1)Cl" . "VZRNTCHTJRLTMU-UHFFFAOYSA-N" . "InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3" . "NCCCCC1NC(=O)C(CSSCC(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(=O)O)CC(C)C)Cc1ccccc1)C(C)C)CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC1CSSCC(NC(=O)C(NC1=O)CCCNC(=N)N)C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)Cc1ccc(cc1)O)CCCCN)CCCCN)CCSC)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CSSCC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C2CCC(=O)N2)Cc2ccccc2)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)O)CCCCN)CO)C(C)C)CO" . "NCCCCC1NC(=O)C(CSSCC(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(=O)O)CC(C)C)Cc1ccccc1)C(C)C)CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC1CSSCC(NC(=O)C(NC1=O)CCCNC(=N)N)C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)Cc1ccc(cc1)O)CCCCN)CCCCN)CCSC)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CSSCC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C2CCC(=O)N2)Cc2ccccc2)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)O)CCCCN)CO)C(C)C)CO" . "VDNVVLOBNHIMQA-UHFFFAOYSA-N" . "InChI=1S/C179H274N50O55S7/c1-87(2)65-111-155(261)208-112(66-93-33-15-13-16-34-93)146(252)195-77-133(239)225-139(88(3)4)172(278)213-117(71-136(244)245)158(264)199-100(44-31-62-190-178(186)187)144(250)193-75-131(237)198-102(40-22-27-58-181)148(254)219-124(167(273)205-109(56-64-285-12)145(251)194-76-132(238)197-101(39-21-26-57-180)147(253)200-105(43-25-30-61-184)151(257)220-123-81-286-288-83-125(221-152(258)106(203-166(123)272)45-32-63-191-179(188)189)169(275)210-113(68-95-46-48-97(234)49-47-95)156(262)206-110(177(283)284)50-53-129(185)235)82-287-291-86-128(168(274)202-104(42-24-29-60-183)150(256)212-116(70-135(242)243)159(265)207-111)224-175(281)142(91(9)10)228-164(270)121(79-231)216-157(263)115(69-96-74-192-99-38-20-19-37-98(96)99)211-170(276)126-84-289-290-85-127(171(277)217-122(80-232)165(271)227-141(90(7)8)174(280)218-120(78-230)163(269)201-103(41-23-28-59-182)149(255)204-108(154(260)222-126)52-55-134(240)241)223-160(266)118(72-137(246)247)214-173(279)140(89(5)6)226-162(268)119(73-138(248)249)215-176(282)143(92(11)233)229-161(267)114(67-94-35-17-14-18-36-94)209-153(259)107-51-54-130(236)196-107/h13-20,33-38,46-49,74,87-92,100-128,139-143,192,230-234H,21-32,39-45,50-73,75-86,180-184H2,1-12H3,(H2,185,235)(H,193,250)(H,194,251)(H,195,252)(H,196,236)(H,197,238)(H,198,237)(H,199,264)(H,200,253)(H,201,269)(H,202,274)(H,203,272)(H,204,255)(H,205,273)(H,206,262)(H,207,265)(H,208,261)(H,209,259)(H,210,275)(H,211,276)(H,212,256)(H,213,278)(H,214,279)(H,215,282)(H,216,263)(H,217,277)(H,218,280)(H,219,254)(H,220,257)(H,221,258)(H,222,260)(H,223,266)(H,224,281)(H,225,239)(H,226,268)(H,227,271)(H,228,270)(H,229,267)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,283,284)(H4,186,187,190)(H4,188,189,191)" . "OC(=O)COc1cc2CC(C(=O)c2c(c1Cl)Cl)(C)C1CCCC1" . "OC(=O)COc1cc2CC(C(=O)c2c(c1Cl)Cl)(C)C1CCCC1" . "RNOJGTHBMJBOSP-UHFFFAOYSA-N" . "InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)" . "OC(=O)Cc1cccnc1C(=O)O" . "OC(=O)Cc1cccnc1C(=O)O" . "HQPMJFFEXJELOQ-UHFFFAOYSA-N" . "InChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)" . "CC(=O)NC1C(OC2C(OC(C(C2O)O)OC2C(O)OC(C(C2CS(=O)(=O)O)OS(=O)(=O)O)OC2C(OC(C(C2O)OS(=O)(=O)O)O)C(=O)O)C(=O)O)OC(C(C1O)O)COS(=O)(=O)O" . "CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](O)O[C@@H]([C@@H]([C@H]2CS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]2[C@@H](OC([C@@H]([C@H]2O)OS(=O)(=O)O)O)C(=O)O)C(=O)O)O[C@@H]([C@H]([C@@H]1O)O)COS(=O)(=O)O" . "ZFGMDIBRIDKWMY-PASTXAENSA-N" . "InChI=1S/C26H41NO34S4/c1-4(28)27-7-9(30)8(29)6(2-52-63(43,44)45)53-24(7)56-15-10(31)11(32)25(58-19(15)21(36)37)55-13-5(3-62(40,41)42)14(60-64(46,47)48)26(59-22(13)38)57-16-12(33)17(61-65(49,50)51)23(39)54-18(16)20(34)35/h5-19,22-26,29-33,38-39H,2-3H2,1H3,(H,27,28)(H,34,35)(H,36,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,22-,23?,24+,25+,26-/m0/s1" . "O=C(c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1)Nc1cccc(c1)C(F)(F)F" . "O=C(c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1)Nc1cccc(c1)C(F)(F)F" . "NCZYSQOTAYFTNM-UHFFFAOYSA-N" . "InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)" . "[O-][n+]1onc(c1C(=O)c1cccs1)C(=O)c1cccs1" . "[O-][n+]1onc(c1C(=O)c1cccs1)C(=O)c1cccs1" . "RUQGCDMXFBOTMW-UHFFFAOYSA-N" . "InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H" . "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(cc1)C(C)C" . "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(cc1)C(C)C" . "HEQDZPHDVAOBLN-UHFFFAOYSA-N" . "InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)" . "Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C" . "Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C" . "LFBZZHVSGAHQPP-UHFFFAOYSA-N" . "InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3" . "CNC(=O)N1N=C(c2ccc(cc2)N)c2c(CC1C)cc1c(c2)OCO1" . "CNC(=O)N1N=C(c2ccc(cc2)N)c2c(CC1C)cc1c(c2)OCO1" . "SMGACXZFVXKEAX-UHFFFAOYSA-N" . "InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)" . "Clc1cc(Cl)c2c(c1)[nH]c(c2C=C1CCN(C1=O)c1ccccc1)C(=O)[O-]" . "Clc1cc(Cl)c2c(c1)[nH]c(c2/C=C/1/CCN(C1=O)c1ccccc1)C(=O)[O-]" . "VDIRQCDDCGAGET-DHZHZOJOSA-M" . "InChI=1S/C20H14Cl2N2O3/c21-12-9-15(22)17-14(18(20(26)27)23-16(17)10-12)8-11-6-7-24(19(11)25)13-4-2-1-3-5-13/h1-5,8-10,23H,6-7H2,(H,26,27)/p-1/b11-8+" . "OC1C(COP(=O)(OP(=O)(OP(=S)(O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O" . "OC1C(COP(=O)(OP(=O)(OP(=S)(O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O" . "XOFLBQFBSOEHOG-UHFFFAOYSA-N" . "InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)" . "OCC(C(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc2c(s1)cccc2)CC(C)C)NS(=O)(=O)c1ccc(cc1Cl)Cl" . "OC[C@@H](C(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc2c(s1)cccc2)CC(C)C)NS(=O)(=O)c1ccc(cc1Cl)Cl" . "IVYQPSHHYIAUFO-VXKWHMMOSA-N" . "InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1" . "O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C" . "O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C" . "QBKSWRVVCFFDOT-UHFFFAOYSA-N" . "InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3" . "NC(=N)Nc1nc2ccccc2c(n1)C" . "NC(=N)Nc1nc2ccccc2c(n1)C" . "ONQKSKDLYYDFLL-UHFFFAOYSA-N" . "InChI=1S/C10H11N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H,1H3,(H4,11,12,13,14,15)" . "O=C(CNc1ccc2c(c1)cccc2)NNC=C1C=C(Br)C(=C(C1=O)Br)O" . "O=C(CNc1ccc2c(c1)cccc2)NNC=C1C=C(Br)C(=C(C1=O)Br)O" . "FLGYCSPPJQJZCH-UHFFFAOYSA-N" . "InChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22-23,27H,10H2,(H,24,25)" . "CC1=C2C=C3OC4C5(C3(CC2OC1=O)C(O)CC5C(C)(C)C)C(C(=O)O4)O" . "CC1=C2C=C3O[C@H]4[C@@]5([C@@]3(C[C@@H]2OC1=O)[C@@H](O)C[C@H]5C(C)(C)C)[C@H](C(=O)O4)O" . "SPCYYGUOUYOYPX-FUDPCSHESA-N" . "InChI=1S/C20H24O7/c1-8-9-5-13-19(7-10(9)25-15(8)23)12(21)6-11(18(2,3)4)20(19)14(22)16(24)27-17(20)26-13/h5,10-12,14,17,21-22H,6-7H2,1-4H3/t10-,11-,12-,14-,17+,19-,20-/m0/s1" . "Nc1on[n+](n1)c1ccc(c(c1)Cl)Cl" . "Nc1on[n+](n1)c1ccc(c(c1)Cl)Cl" . "KMVGWIQTUUBYAV-UHFFFAOYSA-N" . "InChI=1S/C7H5Cl2N4O/c8-5-2-1-4(3-6(5)9)13-11-7(10)14-12-13/h1-3H,(H2,10,11,12)/q+1" . "COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O" . "COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O" . "ACVGNKYJVGNLIL-UHFFFAOYSA-N" . "InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)" . "C=O" . "C=O" . "WSFSSNUMVMOOMR-UHFFFAOYSA-N" . "InChI=1S/CH2O/c1-2/h1H2" . "OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C" . "OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C" . "SYTBZMRGLBWNTM-UHFFFAOYSA-N" . "InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)" . "[O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F" . "[O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F" . "LPEPZBJOKDYZAD-UHFFFAOYSA-M" . "InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)/p-1" . "CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C" . "CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C" . "RZTAMFZIAATZDJ-UHFFFAOYSA-N" . "InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3" . "CC(=O)C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)OS(=O)(=O)O" . "CC(=O)C1CCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O" . "MENQCIVHHONJLU-ACWDEBGSSA-N" . "InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15+,16?,17?,18?,19?,20+,21-/m1/s1" . "CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C" . "CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C" . "QDERNBXNXJCIQK-UHFFFAOYSA-N" . "InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)" . "CNC1C(O)COC2C1OC(C2)(CC(C(=O)O)N)C(=O)O" . "CN[C@@H]1[C@H](O)CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O" . "YUSZFKPLFIQTGF-FDNSHYBFSA-N" . "InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1" . "Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1cccs1" . "Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1cccs1" . "AZKMWHRDICVYEI-UHFFFAOYSA-N" . "InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)" . "CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F" . "CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F" . "PPTYJKAXVCCBDU-UHFFFAOYSA-N" . "InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3" . "CCCCSc1nsnc1C1=CCCN(C1)C" . "[11CH3]CCCSc1nsnc1C1=CCCN(C1)C" . "SFXHHGRYNXLPKT-BJUDXGSMSA-N" . "InChI=1S/C12H19N3S2/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3/i1-1" . "OC(=O)CC1C(CNC1C(=O)O)C(=CC=CC(C(=O)O)C)C" . "OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C/C=C/[C@H](C(=O)O)C)/C" . "VZFRNCSOCOPNDB-AOKDLOFSSA-N" . "InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1" . "COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC" . "COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC" . "GADIKQPUNWAMEB-UHFFFAOYSA-N" . "InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3" . "S=C=Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N=C=S" . "S=C=Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N=C=S" . "YSCNMFDFYJUPEF-UHFFFAOYSA-N" . "InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)" . "CCCCN1C(=O)C(=CC=CC=Cc2c(O)n(CCCC)c(=O)n(c2=O)CCCC)C(=O)N(C1=O)CCCC" . "CCCCN1C(=O)C(=CC=CC=Cc2c(O)n(CCCC)c(=O)n(c2=O)CCCC)C(=O)N(C1=O)CCCC" . "CQAPPGVBCMJDML-UHFFFAOYSA-N" . "InChI=1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,34H,5-12,18-21H2,1-4H3" . "CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCCCC(=O)O)Cl)C1CCCC1" . "CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCCCC(=O)O)Cl)C1CCCC1" . "KHKGTPJPBOQECW-UHFFFAOYSA-N" . "InChI=1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)" . "Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O" . "Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O" . "GSDQYSSLIKJJOG-UHFFFAOYSA-N" . "InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-12-7-9(15)4-5-11(12)13(17)18/h1-7,16H,(H,17,18)" . "O=C1CN(C(=O)N1)N=Cc1ccc(o1)c1ccc(cc1)[N+](=O)[O-]" . "O=C1CN(C(=O)N1)/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]" . "OZOMQRBLCMDCEG-VIZOYTHASA-N" . "InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+" . "OCC(C(=O)O)N" . "OC[C@H](C(=O)O)N" . "MTCFGRXMJLQNBG-UWTATZPHSA-N" . "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1" . "OC(=O)C1NCCN(C1)CC=CP(=O)(O)O" . "OC(=O)C1NCCN(C1)C/C=C/P(=O)(O)O" . "VZXMZMJSGLFKQI-ORCRQEGFSA-N" . "InChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+" . "OC(=O)C(CCCP(=O)(O)[O-])N" . "OC(=O)[C@@H](CCCP(=O)(O)[O-])N" . "VOROEQBFPPIACJ-SCSAIBSYSA-M" . "InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1" . "Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2" . "Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2" . "BOCUKUHCLICSIY-UHFFFAOYSA-N" . "InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)" . "O=C(c1ccc2c(c1)OCCO2)N1CCCCC1" . "O=C(c1ccc2c(c1)OCCO2)N1CCCCC1" . "LJUNPHMOGNFFOS-UHFFFAOYSA-N" . "InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2" . "O=C(c1ccc2c(c1)nccn2)N1CCCCC1" . "O=C(c1ccc2c(c1)nccn2)N1CCCCC1" . "ANDGGVOPIJEHOF-UHFFFAOYSA-N" . "InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2" . "Oc1ccc(cc1)C(C(N1CCC(CC1)(O)c1ccccc1)C)O" . "Oc1ccc(cc1)[C@@H]([C@@H](N1CCC(CC1)(O)c1ccccc1)C)O" . "QEMSVZNTSXPFJA-HNAYVOBHSA-N" . "InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CO)NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CCC(=O)O)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O)CC(C)C)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(=O)N)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(C)C)CCCNC(=N)N)CC(C(=O)O)C(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CCC(=O)O)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O)CC(C)C)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(=O)N)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(C)C)CCCNC(=N)N)CC(C(=O)O)C(=O)O" . "HTBKFGWATIYCSF-QGXIKSNHSA-N" . "InChI=1S/C88H138N26O44/c1-7-34(6)61(77(138)103-41(12-10-20-98-88(96)97)63(124)107-48(23-35(78(139)140)79(141)142)69(130)100-40(11-8-9-19-89)64(125)113-54(31-115)76(137)104-45(62(95)123)28-57(93)118)114-75(136)47(22-33(4)5)106-70(131)49(24-36(80(143)144)81(145)146)109-67(128)44(14-17-56(92)117)102-74(135)53(29-58(94)119)112-73(134)51(26-38(84(151)152)85(153)154)110-66(127)43(13-16-55(91)116)101-68(129)46(21-32(2)3)105-71(132)52(27-39(86(155)156)87(157)158)111-72(133)50(25-37(82(147)148)83(149)150)108-65(126)42(15-18-60(121)122)99-59(120)30-90/h32-54,61,115H,7-31,89-90H2,1-6H3,(H2,91,116)(H2,92,117)(H2,93,118)(H2,94,119)(H2,95,123)(H,99,120)(H,100,130)(H,101,129)(H,102,135)(H,103,138)(H,104,137)(H,105,132)(H,106,131)(H,107,124)(H,108,126)(H,109,128)(H,110,127)(H,111,133)(H,112,134)(H,113,125)(H,114,136)(H,121,122)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,96,97,98)/t34-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1" . "CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC" . "CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC" . "GKIRPKYJQBWNGO-UHFFFAOYSA-N" . "InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3" . "S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F" . "S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F" . "JIMHYXZZCWVCMI-UHFFFAOYSA-N" . "InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)" . "Clc1nccc2c1ccc1c2cccc1" . "Clc1nccc2c1ccc1c2cccc1" . "SHQLTRRYZVBEMR-UHFFFAOYSA-N" . "InChI=1S/C13H8ClN/c14-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-15-13/h1-8H" . "O=C(OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C)CCC(=O)O" . "O=C(O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C)CCC(=O)O" . "OBZHEBDUNPOCJG-WBXJDKIVSA-N" . "InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1" . "CCCCCc1cc(O)c(c(c1)O)C1C=C(C)CCC1C(=C)C" . "CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C" . "QHMBSVQNZZTUGM-ZWKOTPCHSA-N" . "InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1" . "NCC=CC(=O)O" . "NC/C=C/C(=O)O" . "FMKJUUQOYOHLTF-UPHRSURJSA-N" . "InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1-" . "CCOc1ccc(cc1)Nc1ccc(cc1)C(=C1C=CC(=[N+](Cc2cccc(c2)S(=O)(=O)[O-])CC)C=C1C)c1ccc(cc1C)N(Cc1ccc(cc1)S(=O)(=O)[O-])CC.[Na+]" . "CCOc1ccc(cc1)Nc1ccc(cc1)/C(=C/1/C=C/C(=[N+](/Cc2cccc(c2)S(=O)(=O)[O-])/CC)/C=C1C)/c1ccc(cc1C)N(Cc1ccc(cc1)S(=O)(=O)[O-])CC.[Na+]" . "NIVDAYXBPZLBDP-UHFFFAOYSA-M" . "InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-12-24-43(25-13-35)58(51,52)53)40-20-26-45(33(4)28-40)47(37-14-16-38(17-15-37)48-39-18-22-42(23-19-39)57-8-3)46-27-21-41(29-34(46)5)50(7-2)32-36-10-9-11-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1" . "O=C(c1ncn2c1C1CCCN1C(=O)c1c2cccc1Br)OC(C)(C)C" . "O=C(c1ncn2c1[C@@H]1CCCN1C(=O)c1c2cccc1Br)OC(C)(C)C" . "LWUDDYHYYNNIQI-ZDUSSCGKSA-N" . "InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1" . "NC(=NCc1ccccc1)NC(=O)c1nc(Cl)c(nc1N)N" . "NC(=NCc1ccccc1)NC(=O)c1nc(Cl)c(nc1N)N" . "KXDROGADUISDGY-UHFFFAOYSA-N" . "InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)" . "Oc1n[nH]c2c1CCNC2" . "Oc1n[nH]c2c1CCNC2" . "UPMMUUFLHUEUKP-UHFFFAOYSA-N" . "InChI=1S/C6H9N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10)" . "O=C1SCC(=O)N1C(CCc1ccncc1)COc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]" . "O=C1SCC(=O)N1C(CCc1ccncc1)COc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]" . "VQEHBLGYANQWEA-UHFFFAOYSA-N" . "InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,21H,4,7,15-16H2" . "OC(=O)C(Cc1c(noc1C(C)(C)C)OCP(=O)(O)O)N" . "OC(=O)C(Cc1c(noc1C(C)(C)C)OCP(=O)(O)O)N" . "AGSOOCUNMTYPSE-UHFFFAOYSA-N" . "InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)" . "[NH3+]C(C(=O)[O-])Cc1c(o[nH]c1=O)C(C)(C)C" . "[NH3+]C(C(=O)[O-])Cc1c(o[nH]c1=O)C(C)(C)C" . "PIXJURSCCVBKRF-UHFFFAOYSA-N" . "InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)" . "CC(=O)Oc1ccccc1C(=O)O" . "CC(=O)Oc1ccccc1C(=O)O" . "BSYNRYMUTXBXSQ-UHFFFAOYSA-N" . "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)" . "NC(=NCCCC(C(=O)NCCCNCCCNCCCCCNC(=O)C(NC(=O)Cc1ccc(cc1O)O)CC(=O)N)N)N" . "NC(=NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(cc1O)O)CC(=O)N)N)N" . "FTNICLJXPYLDAH-GOTSBHOMSA-N" . "InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1" . "NC(=NCCCCN=C(N)N)N" . "NC(=NCCCCN=C(N)N)N" . "HGMDNMBBCKDWTQ-UHFFFAOYSA-N" . "InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)" . "Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O" .