smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000026845683 563037098 /nfs/dbraw/zinc/03/70/98/563037098.db2.gz IPIORSYBBXMRHS-UHFFFAOYSA-N 1 0 450.520 4.229 1 10 JICFRO CCOC(=O)c1cc2c(cc(OC)c(O)c2C[NH+]2CCCC2)nc1C[S@@](=O)c1ccc(F)cc1 ZINC000040835461 563148943 /nfs/dbraw/zinc/14/89/43/563148943.db2.gz WNNITFAPRZHJBB-UMSFTDKQSA-N 1 0 486.565 4.168 1 10 JICFRO COc1ccc2c(c1)CC[C@@H]1CN(CC[NH+]3CCC(NC(=O)c4ccc5ccccc5c4)CC3)CCN21 ZINC000022933619 563018630 /nfs/dbraw/zinc/01/86/30/563018630.db2.gz DVXDATODDZJCOX-MUUNZHRXSA-N 1 0 498.671 4.180 1 10 JICFRO CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccc(C)cc3[nH+]c12 ZINC000029398229 563102343 /nfs/dbraw/zinc/10/23/43/563102343.db2.gz OLTTVCJMWJDDLF-UHFFFAOYSA-N 1 0 464.547 4.180 1 10 JICFRO CCOC(=O)c1ccccc1NC(=O)c1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1 ZINC000029551703 563106363 /nfs/dbraw/zinc/10/63/63/563106363.db2.gz ZPWHRYLRFCWZLF-UHFFFAOYSA-N 1 0 451.567 4.013 1 10 JICFRO O[C@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000045496863 563195916 /nfs/dbraw/zinc/19/59/16/563195916.db2.gz PTRPLYCUYNEQTN-MHZLTWQESA-N 1 0 457.618 4.201 1 10 JICFRO O[C@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000045497460 563196115 /nfs/dbraw/zinc/19/61/15/563196115.db2.gz FWDSENPOIMMHCW-MHZLTWQESA-N 1 0 475.608 4.340 1 10 JICFRO O[C@@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000045496861 563195914 /nfs/dbraw/zinc/19/59/14/563195914.db2.gz PTRPLYCUYNEQTN-HHHXNRCGSA-N 1 0 457.618 4.201 1 10 JICFRO Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4sccc4[N+](=O)[O-])c3[nH+]c12 ZINC000005845766 562935507 /nfs/dbraw/zinc/93/55/07/562935507.db2.gz CRHQNNPYLHYQSK-UHFFFAOYSA-O 1 0 464.571 4.255 1 10 JICFRO CC(C)[C@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)CCc1ccc(O)c(O)c1 ZINC000027561622 563046879 /nfs/dbraw/zinc/04/68/79/563046879.db2.gz YKMDGQGKTRRPLU-HLULCQHTSA-N 1 0 454.611 4.177 1 10 JICFRO CCOC(=O)CCc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)c([O-])c(C[NH+]3CCCC3)c2)cc1 ZINC000029549392 563106187 /nfs/dbraw/zinc/10/61/87/563106187.db2.gz KJDFJLKJLGNPFW-UHFFFAOYSA-N 1 0 479.621 4.332 1 10 JICFRO CCOc1nc2ccccc2nc1C(=O)Nc1cc(C[NH+]2CCCC2)c(O)c(N2CCCC2)c1 ZINC000040564096 563145299 /nfs/dbraw/zinc/14/52/99/563145299.db2.gz RVHAKOBZDZPVQP-UHFFFAOYSA-N 1 0 461.566 4.182 1 10 JICFRO [NH3+]CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc32)cc1 ZINC000026845397 563037068 /nfs/dbraw/zinc/03/70/68/563037068.db2.gz ULUMRZYMQFUBKR-UHFFFAOYSA-N 1 0 451.508 4.130 1 10 JICFRO CN(C)c1ccc([C@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000028478127 563066181 /nfs/dbraw/zinc/06/61/81/563066181.db2.gz XNJGILYAIUVILP-NRFANRHFSA-N 1 0 450.414 4.170 1 10 JICFRO CCOC(=O)c1cc2c(cc(OC)c(O)c2C[NH+]2CCCC2)nc1C[S@](=O)c1ccc(F)cc1 ZINC000040835463 563148918 /nfs/dbraw/zinc/14/89/18/563148918.db2.gz WNNITFAPRZHJBB-UUWRZZSWSA-N 1 0 486.565 4.168 1 10 JICFRO C/C(=C\C[C@@]12O[C@]1(C(=O)OC1CCCCC1)C(=O)c1ccccc1C2=O)CCc1cc[nH+]c(N)c1 ZINC000085592738 291518055 /nfs/dbraw/zinc/51/80/55/291518055.db2.gz YZMIXLZIPYPAHA-TYINNCGASA-N 1 0 474.557 4.396 1 10 biogenic,in-vitro JICFRO O=S(=O)(Cc1cccc(Oc2ccccc2)c1)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000028529131 563068415 /nfs/dbraw/zinc/06/84/15/563068415.db2.gz MRUQMGHQEAKLGO-UHFFFAOYSA-N 1 0 452.576 4.269 1 10 JICFRO CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C[NH+]3CCCC3)c([O-])c(C[NH+]3CCCC3)c2)cc1 ZINC000029552097 563106370 /nfs/dbraw/zinc/10/63/70/563106370.db2.gz AZTISYSXMSBKJP-FMIVXFBMSA-N 1 0 477.605 4.412 1 10 JICFRO Cc1[nH]c([C@@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2ccc(N)cc2)nc1-c1ccccc1 ZINC000036216192 563124336 /nfs/dbraw/zinc/12/43/36/563124336.db2.gz BDXHALCLPNVLSH-DQEYMECFSA-N 1 0 451.574 4.163 1 10 JICFRO O[C@@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000045497389 563196024 /nfs/dbraw/zinc/19/60/24/563196024.db2.gz BVBFHGISYWFZNU-HHHXNRCGSA-N 1 0 472.629 4.363 1 10 JICFRO O=S(=O)(Nc1cccc(Oc2ccc(F)cc2)c1)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000012504443 562960407 /nfs/dbraw/zinc/96/04/07/562960407.db2.gz JHHBGNIRSUTQAS-UHFFFAOYSA-N 1 0 471.554 4.235 1 10 in-vivo JICFRO COc1ccc2[nH+]c3cc(NC(C)=O)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000026842294 563036906 /nfs/dbraw/zinc/03/69/06/563036906.db2.gz CXUFEEMFQCSWNU-UHFFFAOYSA-N 1 0 450.520 4.470 1 10 JICFRO COc1ccc(N2CC[NH+](CCc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2)c(OC)c1 ZINC000045192877 563176517 /nfs/dbraw/zinc/17/65/17/563176517.db2.gz MGWXSINCESZYLC-UHFFFAOYSA-N 1 0 490.560 4.229 1 10 JICFRO COc1cc(Cn2c3ccc(O)c(C[NH+](C)C)c3c3c2C(=O)c2ccccc2C3=O)cc(OC)c1 ZINC000001662979 562923132 /nfs/dbraw/zinc/92/31/32/562923132.db2.gz AFWUHDKGNJUUKF-UHFFFAOYSA-N 1 0 470.525 4.249 1 10 JICFRO COC(=O)c1c2c(oc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1OCCC[NH+](C)C ZINC000028568061 563069971 /nfs/dbraw/zinc/06/99/71/563069971.db2.gz QROZNTBKLCEHDK-UHFFFAOYSA-N 1 0 457.482 4.479 1 10 JICFRO CC[NH+](CC)CCCNc1nc(=O)[nH]c(C)c1C(=O)Nc1c2ccccc2nc2ccccc21 ZINC000005581685 562934352 /nfs/dbraw/zinc/93/43/52/562934352.db2.gz UHSDKIQVKSSCAG-UHFFFAOYSA-N 1 0 458.566 4.176 1 10 JICFRO C[NH+]1CCN(CCCOc2ccc(-c3nc4c(ccc5c4C(=O)c4ccccc4C5=O)[nH]3)cc2)CC1 ZINC000028643579 563073127 /nfs/dbraw/zinc/07/31/27/563073127.db2.gz QWYGPEJFVZAZNB-UHFFFAOYSA-N 1 0 480.568 4.022 1 10 JICFRO CC(=O)Nc1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(N(C(C)=O)S(C)(=O)=O)cc1 ZINC000026842933 563036942 /nfs/dbraw/zinc/03/69/42/563036942.db2.gz UHNOKNMMFBGVCT-UHFFFAOYSA-N 1 0 462.531 4.403 1 10 JICFRO COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2cc(NC(C)=O)ccc21 ZINC000026940380 563037679 /nfs/dbraw/zinc/03/76/79/563037679.db2.gz XGXRFAGNUIUJEZ-UHFFFAOYSA-N 1 0 450.520 4.470 1 10 JICFRO O=C(Cc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1)OC[C@H]1CCc2ccccc2C1 ZINC000026567165 563029647 /nfs/dbraw/zinc/02/96/47/563029647.db2.gz SLWSVZSRNOQGTF-QFIPXVFZSA-N 1 0 462.634 4.475 1 10 JICFRO COc1cc(C[C@H]2c3cc(O)c(O)cc3CC[N@H+]2Cc2ccc(N)cc2)cc(OC)c1OC ZINC000029315542 563099985 /nfs/dbraw/zinc/09/99/85/563099985.db2.gz UTQNVLOJXBAYNY-NRFANRHFSA-N 1 0 450.535 4.048 1 10 JICFRO COc1ccc(N2CC[NH+](CCCCNC(=O)c3ccc(-c4ccccn4)cc3)CC2)c(OC)c1 ZINC000035974428 563121599 /nfs/dbraw/zinc/12/15/99/563121599.db2.gz KKVXRFAQMOVXOX-UHFFFAOYSA-N 1 0 474.605 4.098 1 10 JICFRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1OC ZINC000040423644 563142438 /nfs/dbraw/zinc/14/24/38/563142438.db2.gz LYECPEAOXPXURS-XMMPIXPASA-N 1 0 462.590 4.186 1 10 JICFRO CCOC(=O)c1cc2c(cc(OC)c(O)c2C[NH+](C)C)nc1CSc1ccccc1OC ZINC000045496134 563195739 /nfs/dbraw/zinc/19/57/39/563195739.db2.gz MAGOGDWIDKESOX-UHFFFAOYSA-N 1 0 456.564 4.488 1 10 JICFRO CC(=O)Nc1ccc2c(c1)[nH+]c1ccc(NC(C)=O)cc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026842800 563036952 /nfs/dbraw/zinc/03/69/52/563036952.db2.gz ZDCVVLLRBARHKA-UHFFFAOYSA-N 1 0 477.546 4.420 1 10 JICFRO COc1cc(C[C@@H]2c3cc(O)c(O)cc3CC[N@H+]2Cc2ccc(N)cc2)cc(OC)c1OC ZINC000029315547 563099927 /nfs/dbraw/zinc/09/99/27/563099927.db2.gz UTQNVLOJXBAYNY-OAQYLSRUSA-N 1 0 450.535 4.048 1 10 JICFRO O=C(Cc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1)OC[C@@H]1CCc2ccccc2C1 ZINC000026567160 563029698 /nfs/dbraw/zinc/02/96/98/563029698.db2.gz SLWSVZSRNOQGTF-JOCHJYFZSA-N 1 0 462.634 4.475 1 10 JICFRO CC(=O)Nc1ccc2[nH+]c3ccc(NC(C)=O)cc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000026845086 563037018 /nfs/dbraw/zinc/03/70/18/563037018.db2.gz PKLXEIOYAYATHR-UHFFFAOYSA-N 1 0 477.546 4.420 1 10 JICFRO COc1ccc2c(c1)[nH+]c1cc(NC(C)=O)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026844450 563036989 /nfs/dbraw/zinc/03/69/89/563036989.db2.gz HOTOYJJDEAAFSH-UHFFFAOYSA-N 1 0 450.520 4.470 1 10 JICFRO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccco2)[C@@H]3OC)c(O)c1 ZINC000011787964 562957676 /nfs/dbraw/zinc/95/76/76/562957676.db2.gz WDAFDDVZSBPKPN-RPBOFIJWSA-N 1 0 462.546 4.027 1 10 JICFRO CN(C)c1ccc(CN2CCOc3ccc(C[NH+]4CCC(O)(c5cccnc5)CC4)cc3C2)cc1 ZINC000012048030 562958923 /nfs/dbraw/zinc/95/89/23/562958923.db2.gz CKZMBDXQOPNSSI-UHFFFAOYSA-N 1 0 472.633 4.026 1 10 JICFRO CN(C)c1ccc(C[NH+]2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)c3cnccn3)CC2)cc1 ZINC000061904883 563210245 /nfs/dbraw/zinc/21/02/45/563210245.db2.gz HLGCZIVHTNRRDO-RUZDIDTESA-N 1 0 464.013 4.314 3 10 JICFRO Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccccc4[N+](=O)[O-])c3[nH+]c12 ZINC000005845739 562935494 /nfs/dbraw/zinc/93/54/94/562935494.db2.gz JSAWVQSGLXXPBK-UHFFFAOYSA-O 1 0 458.542 4.193 1 10 JICFRO COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H]([N@H+](C)Cc1ccccc1O)CC2 ZINC000014712618 563006264 /nfs/dbraw/zinc/00/62/64/563006264.db2.gz GIMKKBXYBJRFFI-FQEVSTJZSA-N 1 0 463.530 4.270 1 10 JICFRO CCCCC[C@H](C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[NH3+])c1)c1cc(O)c(O)c(OC)c1 ZINC000085625549 291522948 /nfs/dbraw/zinc/52/29/48/291522948.db2.gz JXOKKCDAOCAACA-WIYYLYMNSA-N 1 0 475.582 4.114 1 10 biogenic,in-vitro JICFRO CC(=O)Nc1ccc2c(c1)[nH+]c1cc(NC(C)=O)ccc1c2Nc1ccc(NS(C)(=O)=O)cc1 ZINC000026849784 563037277 /nfs/dbraw/zinc/03/72/77/563037277.db2.gz VXHODRJHVXROSD-UHFFFAOYSA-N 1 0 477.546 4.420 1 10 JICFRO O=S(=O)(Nc1cccc(Oc2ccccc2)c1)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000028529785 563068524 /nfs/dbraw/zinc/06/85/24/563068524.db2.gz GXJYTKZEZLRQTD-UHFFFAOYSA-N 1 0 453.564 4.095 1 10 JICFRO CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1[O-] ZINC000028564674 563069223 /nfs/dbraw/zinc/06/92/23/563069223.db2.gz ZHKABAYFUSLWOS-ILBGXUMGSA-N 1 0 463.578 4.390 1 10 JICFRO O[C@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000040847939 563149522 /nfs/dbraw/zinc/14/95/22/563149522.db2.gz KLXGCMVWINSWCC-NDEPHWFRSA-N 1 0 471.645 4.197 1 10 JICFRO O[C@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000045497391 563196049 /nfs/dbraw/zinc/19/60/49/563196049.db2.gz BVBFHGISYWFZNU-MHZLTWQESA-N 1 0 472.629 4.363 1 10 JICFRO CC(C)[C@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)CCc1ccc(O)c(O)c1 ZINC000040499123 563144702 /nfs/dbraw/zinc/14/47/02/563144702.db2.gz YKMDGQGKTRRPLU-VQEMNGCCSA-N 1 0 454.611 4.177 1 10 JICFRO O[C@@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000040847942 563149505 /nfs/dbraw/zinc/14/95/05/563149505.db2.gz KLXGCMVWINSWCC-MUUNZHRXSA-N 1 0 471.645 4.197 1 10 JICFRO CN(C)c1ccc(C[NH+]2CCC(C(=O)N[C@@H](c3ccc(Cl)cc3)c3cnccn3)CC2)cc1 ZINC000061904882 563210242 /nfs/dbraw/zinc/21/02/42/563210242.db2.gz HLGCZIVHTNRRDO-VWLOTQADSA-N 1 0 464.013 4.314 3 10 JICFRO COc1ccc2[nH]cc(CCCC[NH+]3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)c2c1 ZINC000013582410 562975884 /nfs/dbraw/zinc/97/58/84/562975884.db2.gz CGBJTVRUDYBOKU-UHFFFAOYSA-N 1 0 453.583 4.347 1 10 JICFRO CN(C)c1ccc([C@@H](CNC(=O)Nc2cc(Cl)cc(Cl)c2)N2CC[NH+](C)CC2)cc1 ZINC000028478129 563066160 /nfs/dbraw/zinc/06/61/60/563066160.db2.gz XNJGILYAIUVILP-OAQYLSRUSA-N 1 0 450.414 4.170 1 10 JICFRO CCOC(=O)c1ccc(NC(=O)c2cc(C[NH+]3CCCC3)c([O-])c(C[NH+]3CCCC3)c2)cc1 ZINC000029561941 563107105 /nfs/dbraw/zinc/10/71/05/563107105.db2.gz WLNLSBBQWJUFNS-UHFFFAOYSA-N 1 0 451.567 4.013 1 10 JICFRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4c(c3)CCCN4Cc3ccccc3)CC2)cc1 ZINC000053175381 563205159 /nfs/dbraw/zinc/20/51/59/563205159.db2.gz BVVGEXYFWQTWPU-HHHXNRCGSA-N 1 0 487.644 4.210 1 10 JICFRO Cc1ccc2c(c1)[nH+]c1c(C)cccc1c2Nc1ccc(NS(=O)(=O)CCNC(N)=O)cc1 ZINC000026936234 563037585 /nfs/dbraw/zinc/03/75/85/563037585.db2.gz APPGZRLZMJUSSA-UHFFFAOYSA-N 1 0 463.563 4.158 1 10 JICFRO CCOC(=O)c1cc2c(cc(OC)c(O)c2C[NH+]2CCCC2)nc1CSc1ccccn1 ZINC000042887626 563163288 /nfs/dbraw/zinc/16/32/88/563163288.db2.gz IONBCUHGKOORPK-UHFFFAOYSA-N 1 0 453.564 4.409 1 10 JICFRO C/C(=C\C[C@@]12O[C@]1(C(=O)OC1CCCC1)C(=O)c1ccccc1C2=O)CCc1cc[nH+]c(N)c1 ZINC000085592740 560065634 /nfs/dbraw/zinc/06/56/34/560065634.db2.gz NWHGEAFRMBQAAA-JENPVYSDSA-N 1 0 460.530 4.006 1 10 biogenic,in-vitro JICFRO Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000040408858 563140480 /nfs/dbraw/zinc/14/04/80/563140480.db2.gz GOHSQTTUBLURKU-UHFFFAOYSA-N 1 0 482.628 4.236 1 10 JICFRO O[C@@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000045497458 563196120 /nfs/dbraw/zinc/19/61/20/563196120.db2.gz FWDSENPOIMMHCW-HHHXNRCGSA-N 1 0 475.608 4.340 1 10 JICFRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4c(c3)CCCN4Cc3ccccc3)CC2)cc1 ZINC000053175378 563205121 /nfs/dbraw/zinc/20/51/21/563205121.db2.gz BVVGEXYFWQTWPU-MHZLTWQESA-N 1 0 487.644 4.210 1 10 JICFRO Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])s4)c3[nH+]c12 ZINC000005845746 562935484 /nfs/dbraw/zinc/93/54/84/562935484.db2.gz ZRUCMDVGLVKKHQ-UHFFFAOYSA-O 1 0 464.571 4.255 1 10 JICFRO COc1ccc2c(c1)CC[C@H]1CN(CC[NH+]3CCC(NC(=O)c4ccc5ccccc5c4)CC3)CCN21 ZINC000022933622 563018653 /nfs/dbraw/zinc/01/86/53/563018653.db2.gz DVXDATODDZJCOX-NDEPHWFRSA-N 1 0 498.671 4.180 1 10 JICFRO O=S(=O)(Nc1cccc(Oc2ccc(F)cc2F)c1)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000028529942 563068570 /nfs/dbraw/zinc/06/85/70/563068570.db2.gz DKYNTVGBJBIRRH-UHFFFAOYSA-N 1 0 489.544 4.374 1 10 JICFRO C[C@@H]1CN(Cc2ccc(N3CCC[C@@H]3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040394992 563139019 /nfs/dbraw/zinc/13/90/19/563139019.db2.gz HAVGWTMIBHZYEA-RZIGYZOXSA-N 1 0 493.671 4.080 1 10 JICFRO C[C@@H]1CN(Cc2ccc(N3CCC[C@H]3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000040394993 563139035 /nfs/dbraw/zinc/13/90/35/563139035.db2.gz HAVGWTMIBHZYEA-TYPXCFOJSA-N 1 0 493.671 4.080 1 10 JICFRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1OC ZINC000040423643 563142464 /nfs/dbraw/zinc/14/24/64/563142464.db2.gz LYECPEAOXPXURS-DEOSSOPVSA-N 1 0 462.590 4.186 1 10 JICFRO