smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)cc1 ZINC000408610806 193978376 /nfs/dbraw/zinc/97/83/76/193978376.db2.gz VZEBNTFARYCGJS-UHFFFAOYSA-N -1 1 448.541 3.129 40 0 IGABMM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408561497 555903853 /nfs/dbraw/zinc/90/38/53/555903853.db2.gz TYTCEGZOPIFQTE-UHFFFAOYSA-N -1 1 447.340 3.326 40 0 IGABMM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408593465 555959519 /nfs/dbraw/zinc/95/95/19/555959519.db2.gz NSLFPHMUOYLEQN-LBPRGKRZSA-N -1 1 447.340 3.324 40 0 IGABMM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)c(OC)c1 ZINC000408613087 555978098 /nfs/dbraw/zinc/97/80/98/555978098.db2.gz ZUIKIASCNAGVMH-HNNXBMFYSA-N -1 1 436.530 3.044 40 0 IGABMM CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408609517 555979704 /nfs/dbraw/zinc/97/97/04/555979704.db2.gz TWJOHZBBSFZBPR-UHFFFAOYSA-N -1 1 440.949 3.451 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)NC(C)C ZINC000010008974 556321064 /nfs/dbraw/zinc/32/10/64/556321064.db2.gz NTKMKHKPSSIJRJ-UHFFFAOYSA-N -1 1 427.320 3.397 40 0 IGABMM NC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc1 ZINC000216485420 557147796 /nfs/dbraw/zinc/14/77/96/557147796.db2.gz KGAAQUPOWOPZFX-UHFFFAOYSA-N -1 1 429.885 3.492 40 0 IGABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)ccc1O ZINC000013567409 557346029 /nfs/dbraw/zinc/34/60/29/557346029.db2.gz YJOCMSFCAXEYLI-ZDUSSCGKSA-N -1 1 427.457 3.390 40 0 IGABMM O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1 ZINC000013567433 557346304 /nfs/dbraw/zinc/34/63/04/557346304.db2.gz MUNBXNWHTXBGOQ-ZDUSSCGKSA-N -1 1 425.441 3.404 40 0 IGABMM CC(C)c1nc(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)no1 ZINC000223030938 557418147 /nfs/dbraw/zinc/41/81/47/557418147.db2.gz LZVWGCRBKPHVQW-UHFFFAOYSA-N -1 1 428.470 3.030 40 0 IGABMM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4CC)cc2)CC1 ZINC000223033210 557418518 /nfs/dbraw/zinc/41/85/18/557418518.db2.gz CVSCEGBMMGGNID-UHFFFAOYSA-N -1 1 430.482 3.010 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(C)=O ZINC000016125351 557440095 /nfs/dbraw/zinc/44/00/95/557440095.db2.gz JMNPEKSFBJYFNU-UHFFFAOYSA-N -1 1 446.266 3.059 40 0 IGABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1 ZINC000223248694 557451151 /nfs/dbraw/zinc/45/11/51/557451151.db2.gz BADSTOUEGHUCFG-UHFFFAOYSA-N -1 1 448.541 3.220 40 0 IGABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)OC)cc3c2)cc1 ZINC000223293101 557456578 /nfs/dbraw/zinc/45/65/78/557456578.db2.gz ZICPYWBBSIFULN-BJMVGYQFSA-N -1 1 430.507 3.248 40 0 IGABMM COc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000223756070 557509694 /nfs/dbraw/zinc/50/96/94/557509694.db2.gz YEGZCBLUJPVZSV-UHFFFAOYSA-N -1 1 436.486 3.436 40 0 IGABMM CNC(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000223929085 557529952 /nfs/dbraw/zinc/52/99/52/557529952.db2.gz HGDCAEAZFDZHIB-UHFFFAOYSA-N -1 1 439.493 3.108 40 0 IGABMM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224038815 557549961 /nfs/dbraw/zinc/54/99/61/557549961.db2.gz UULCCQAUZYMKRS-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000225470472 557726460 /nfs/dbraw/zinc/72/64/60/557726460.db2.gz IOXYTVRMVRECEE-OALUTQOASA-N -1 1 444.538 3.232 40 0 IGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1C ZINC000225543152 557739500 /nfs/dbraw/zinc/73/95/00/557739500.db2.gz OINKNGUBDHWGFH-UHFFFAOYSA-N -1 1 428.510 3.272 40 0 IGABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000225827093 557781799 /nfs/dbraw/zinc/78/17/99/557781799.db2.gz JJSQAEKKMFFPJA-UHFFFAOYSA-N -1 1 438.571 3.287 40 0 IGABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)c4cccc(OC)c4)CCO3)n2)s1 ZINC000257310210 568715651 /nfs/dbraw/zinc/71/56/51/568715651.db2.gz UEDLAGCJLVKSHM-QGZVFWFLSA-N -1 1 425.514 3.461 40 0 IGABMM Cc1nnc([N-]c2cccc([C@H]3CN(CC(=O)Nc4ccccc4F)CCO3)n2)s1 ZINC000257325803 568722848 /nfs/dbraw/zinc/72/28/48/568722848.db2.gz WUMQLMUODVFJGT-QGZVFWFLSA-N -1 1 428.493 3.136 40 0 IGABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc21 ZINC000015243336 569225416 /nfs/dbraw/zinc/22/54/16/569225416.db2.gz HAORCSFJIPTPFR-UHFFFAOYSA-N -1 1 442.278 3.001 40 0 IGABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[n-]c(=O)c21 ZINC000139114898 569254720 /nfs/dbraw/zinc/25/47/20/569254720.db2.gz VXCIMTMSBSQYJU-HUUCEWRRSA-N -1 1 439.516 3.002 40 0 IGABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 ZINC000013632300 521472022 /nfs/dbraw/zinc/47/20/22/521472022.db2.gz QMNCFVVPSGFDFY-UHFFFAOYSA-N -1 1 446.525 3.217 40 0 IGABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000020454609 521778663 /nfs/dbraw/zinc/77/86/63/521778663.db2.gz DMYOZDXRKKFLMN-UHFFFAOYSA-N -1 1 436.555 3.080 40 0 IGABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)ccc1Cl ZINC000020454128 521895709 /nfs/dbraw/zinc/89/57/09/521895709.db2.gz PAFXTRAUQORZHU-UHFFFAOYSA-N -1 1 438.889 3.063 40 0 IGABMM CN(CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccccc1 ZINC000012612856 522860289 /nfs/dbraw/zinc/86/02/89/522860289.db2.gz GLMBBYKSFUGOFW-UHFFFAOYSA-N -1 1 427.501 3.493 40 0 IGABMM COc1cc(C(=O)N2CCN([C@H](CCC(=O)[O-])c3ccccc3)CC2)cc(OC)c1OC ZINC000408611591 555977024 /nfs/dbraw/zinc/97/70/24/555977024.db2.gz UDHYINBYULJECT-LJQANCHMSA-N -1 1 442.512 3.076 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)N1CCOCC1 ZINC000408627265 555998079 /nfs/dbraw/zinc/99/80/79/555998079.db2.gz YXGJMEKGHNOLFW-UHFFFAOYSA-N -1 1 428.432 3.287 40 0 IGABMM CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)c2c(c1[O-])C(=O)O[C@H](C)C2 ZINC000014616103 556429989 /nfs/dbraw/zinc/42/99/89/556429989.db2.gz BPZZWRPHVVDAPT-PXAZEXFGSA-N -1 1 431.872 3.051 40 0 endogenous,in-man IGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C[C@]3(O)C(=O)Nc4ccccc43)cc2)cc1 ZINC000016310486 556599259 /nfs/dbraw/zinc/59/92/59/556599259.db2.gz LTFCIFYNVSTTCC-HSZRJFAPSA-N -1 1 436.489 3.209 40 0 IGABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000040400146 556642941 /nfs/dbraw/zinc/64/29/41/556642941.db2.gz RADCAKHDEBYWPQ-AWEZNQCLSA-N -1 1 433.468 3.203 40 0 IGABMM O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000044885593 556675251 /nfs/dbraw/zinc/67/52/51/556675251.db2.gz HKRBJJVNYBFHAP-UHFFFAOYSA-N -1 1 437.930 3.478 40 0 IGABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000223264884 557452595 /nfs/dbraw/zinc/45/25/95/557452595.db2.gz FHXZNSHSWIZZRB-UHFFFAOYSA-N -1 1 436.489 3.477 40 0 IGABMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(CCNC(C)=O)cc3)ccc2s1 ZINC000223310771 557457998 /nfs/dbraw/zinc/45/79/98/557457998.db2.gz SAXSZBJADTWLJB-UHFFFAOYSA-N -1 1 432.523 3.167 40 0 IGABMM COC(=O)c1ccc(NCCCn2ccnc2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223413238 557468708 /nfs/dbraw/zinc/46/87/08/557468708.db2.gz JAUDURICRKVBMC-UHFFFAOYSA-N -1 1 428.514 3.281 40 0 IGABMM COC(=O)c1ccc(NCc2cccnc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223419013 557470007 /nfs/dbraw/zinc/47/00/07/557470007.db2.gz XHDRPCLEAIZJFI-UHFFFAOYSA-N -1 1 427.482 3.290 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1N1C(=O)CCC1=O ZINC000224341349 557594621 /nfs/dbraw/zinc/59/46/21/557594621.db2.gz RORSFCTXDXCOEX-UHFFFAOYSA-N -1 1 428.388 3.168 40 0 IGABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)c1 ZINC000224542717 557619266 /nfs/dbraw/zinc/61/92/66/557619266.db2.gz ZUEXFORXMRRQAN-NRFANRHFSA-N -1 1 440.477 3.275 40 0 IGABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)cc3)cc2sc1=O ZINC000225729684 557769743 /nfs/dbraw/zinc/76/97/43/557769743.db2.gz WJCSRSNAIOPXKL-UHFFFAOYSA-N -1 1 431.539 3.401 40 0 IGABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2c1 ZINC000225790623 557778341 /nfs/dbraw/zinc/77/83/41/557778341.db2.gz ZHSZWGCONWEDQC-UHFFFAOYSA-N -1 1 446.550 3.434 40 0 IGABMM CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4ccccc4nc3N3[C@H]4C[C@](C)(CC(C)(C)C4)[C@H]32)C1=O ZINC000096803770 557838550 /nfs/dbraw/zinc/83/85/50/557838550.db2.gz STYLTALLJCVUIA-GPSVJYLHSA-N -1 1 432.524 3.259 40 0 IGABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)Cc4cccc(OC)c4)CCO3)n2)s1 ZINC000257288369 568705913 /nfs/dbraw/zinc/70/59/13/568705913.db2.gz PTYRHENOKIDBSZ-SFHVURJKSA-N -1 1 439.541 3.390 40 0 IGABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257305171 568713577 /nfs/dbraw/zinc/71/35/77/568713577.db2.gz SOSIXEDOVCNHRK-IBGZPJMESA-N -1 1 440.887 3.113 40 0 IGABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)CC4(O)CCCCC4)CCO3)n2)s1 ZINC000257315567 568718111 /nfs/dbraw/zinc/71/81/11/568718111.db2.gz VBYSZZKXMCCZGX-INIZCTEOSA-N -1 1 431.562 3.224 40 0 IGABMM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000139093210 569254537 /nfs/dbraw/zinc/25/45/37/569254537.db2.gz APPMMNZDRDGGQB-WMLDXEAASA-N -1 1 431.496 3.366 40 0 IGABMM Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)COCC(=O)[O-])C=C3C)[nH]c21 ZINC000072321019 291354699 /nfs/dbraw/zinc/35/46/99/291354699.db2.gz DMRPFADSWPITAR-FHWLQOOXSA-N -1 1 427.545 3.486 40 0 biogenic,in-vitro IGABMM Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000040390738 556637502 /nfs/dbraw/zinc/63/75/02/556637502.db2.gz NBUMEFAXFYSZDY-SFHVURJKSA-N -1 1 443.507 3.014 40 0 IGABMM CSCC[C@@H](NC(=O)c1noc2c1C[C@@H](C)CC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019497147 556769467 /nfs/dbraw/zinc/76/94/67/556769467.db2.gz HXHBMTXWDCEGOA-DZGCQCFKSA-N -1 1 439.541 3.169 40 0 IGABMM O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000072399057 556971504 /nfs/dbraw/zinc/97/15/04/556971504.db2.gz SAXKBMWMXFRGDK-OAQYLSRUSA-N -1 1 440.588 3.479 40 0 IGABMM Cc1n[nH]c(SC(=Cc2cc(Cl)cc(I)c2O)C(=O)[O-])n1 ZINC000409193050 556992706 /nfs/dbraw/zinc/99/27/06/556992706.db2.gz HMTRRHFZKBQZNA-OQFOIZHKSA-N -1 1 437.646 3.295 40 0 IGABMM CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233669 557250328 /nfs/dbraw/zinc/25/03/28/557250328.db2.gz KHXCCTFBBMWWTE-GOSISDBHSA-N -1 1 448.571 3.140 40 0 IGABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000013585977 557356136 /nfs/dbraw/zinc/35/61/36/557356136.db2.gz MZAIZJJPKNLXDJ-UHFFFAOYSA-N -1 1 447.538 3.101 40 0 IGABMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc4oc(=O)n(C)c4cc3C)ccc2s1 ZINC000223339674 557460367 /nfs/dbraw/zinc/46/03/67/557460367.db2.gz BSFVULVQLYQCJT-UHFFFAOYSA-N -1 1 432.479 3.242 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000223983798 557539212 /nfs/dbraw/zinc/53/92/12/557539212.db2.gz RRWSDHZWSTZDHW-UHFFFAOYSA-N -1 1 440.477 3.155 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCN(C)c3ccccc3)c2)cc1 ZINC000224044980 557550930 /nfs/dbraw/zinc/55/09/30/557550930.db2.gz QRVMUHBIZVNUBQ-UHFFFAOYSA-N -1 1 439.537 3.362 40 0 IGABMM Cc1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000224088336 557559024 /nfs/dbraw/zinc/55/90/24/557559024.db2.gz RNXGHGHZAACOPC-UHFFFAOYSA-N -1 1 438.505 3.497 40 0 IGABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCCC4)cc3)ccc21 ZINC000225157246 557693711 /nfs/dbraw/zinc/69/37/11/557693711.db2.gz VQFUBLNVOBVRQW-UHFFFAOYSA-N -1 1 441.553 3.413 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)cc1N1C(=O)CCC1=O ZINC000225200977 557699569 /nfs/dbraw/zinc/69/95/69/557699569.db2.gz RHSWYKYVQCNTEN-UHFFFAOYSA-N -1 1 436.489 3.401 40 0 IGABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)COc4ccccc4)CCO3)n2)s1 ZINC000257239282 568683516 /nfs/dbraw/zinc/68/35/16/568683516.db2.gz HOQVWVYJKURGSD-QGZVFWFLSA-N -1 1 425.514 3.218 40 0 IGABMM COc1ccccc1OCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000068867136 569249998 /nfs/dbraw/zinc/24/99/98/569249998.db2.gz YJARUWMRLOKUJI-UHFFFAOYSA-N -1 1 426.494 3.305 40 0 IGABMM CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012241577 522902370 /nfs/dbraw/zinc/90/23/70/522902370.db2.gz MVCHEEZKYMTZSA-IBGZPJMESA-N -1 1 449.511 3.211 40 0 IGABMM COc1ccccc1[C@H]1NC(=O)N[C@@](O)(C(F)(F)F)C1=C([O-])c1ccc(Cl)cc1 ZINC000035102891 524816482 /nfs/dbraw/zinc/81/64/82/524816482.db2.gz FBCMKBNRAJGVFT-RKVPGOIHSA-N -1 1 428.794 3.453 40 0 IGABMM COc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)c1 ZINC000001052628 555613535 /nfs/dbraw/zinc/61/35/35/555613535.db2.gz OFABUOFVAURICK-DAYGRLMNSA-N -1 1 428.794 3.453 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1I ZINC000408620642 555989676 /nfs/dbraw/zinc/98/96/76/555989676.db2.gz PZGJXQKMPJIBLA-UHFFFAOYSA-N -1 1 446.266 3.059 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000408693134 556093187 /nfs/dbraw/zinc/09/31/87/556093187.db2.gz IXJPPRABZJKBFS-UHFFFAOYSA-N -1 1 445.324 3.275 40 0 IGABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 ZINC000408693336 556093791 /nfs/dbraw/zinc/09/37/91/556093791.db2.gz OTGFYHZNZBCDOL-UHFFFAOYSA-N -1 1 446.525 3.217 40 0 IGABMM COC(=O)c1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000036556787 556288700 /nfs/dbraw/zinc/28/87/00/556288700.db2.gz XQIIIPVRIJRDRO-FZOAFFARSA-N -1 1 449.507 3.213 40 0 IGABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000040390728 556637650 /nfs/dbraw/zinc/63/76/50/556637650.db2.gz NXQKNTBJVCVRMZ-LJQANCHMSA-N -1 1 443.507 3.014 40 0 IGABMM O=C(NCc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000017860439 556679949 /nfs/dbraw/zinc/67/99/49/556679949.db2.gz QKUGQGPXQUXDMZ-UHFFFAOYSA-N -1 1 442.468 3.328 40 0 IGABMM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(I)c1O ZINC000409192084 556992210 /nfs/dbraw/zinc/99/22/10/556992210.db2.gz UOONOVPSXRJMPI-WDZFZDKYSA-N -1 1 447.254 3.040 40 0 IGABMM CCOc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc(I)c1O ZINC000409192084 556992213 /nfs/dbraw/zinc/99/22/13/556992213.db2.gz UOONOVPSXRJMPI-WDZFZDKYSA-N -1 1 447.254 3.040 40 0 IGABMM COc1ccccc1N1C(=O)[C@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-] ZINC000409287375 557050981 /nfs/dbraw/zinc/05/09/81/557050981.db2.gz UOKYTFLQGNSLMY-OYRHEFFESA-N -1 1 445.427 3.020 40 0 IGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 ZINC000010112262 557204703 /nfs/dbraw/zinc/20/47/03/557204703.db2.gz UCFFVOJFRIFZOO-UHFFFAOYSA-N -1 1 446.525 3.299 40 0 IGABMM Cc1cccnc1CN1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3 ZINC000100233889 557251366 /nfs/dbraw/zinc/25/13/66/557251366.db2.gz QBTMBKXTNCOXMY-QFIPXVFZSA-N -1 1 448.571 3.406 40 0 IGABMM CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccc(OC)c4)[n-]n3c(=O)c2C1 ZINC000100233966 557252087 /nfs/dbraw/zinc/25/20/87/557252087.db2.gz ATSZQOCSTQINHG-JOCHJYFZSA-N -1 1 449.555 3.465 40 0 IGABMM CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccc(O)c4)[n-]n3c(=O)c2C1 ZINC000100243202 557255468 /nfs/dbraw/zinc/25/54/68/557255468.db2.gz QBAVUVDZCCSRPP-JOCHJYFZSA-N -1 1 449.555 3.408 40 0 IGABMM CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccc(O)c4)[n-]n3c(=O)c2C1 ZINC000100243199 557255482 /nfs/dbraw/zinc/25/54/82/557255482.db2.gz QBAVUVDZCCSRPP-QFIPXVFZSA-N -1 1 449.555 3.408 40 0 IGABMM COc1ccc(C)cc1CN1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3 ZINC000100248198 557255666 /nfs/dbraw/zinc/25/56/66/557255666.db2.gz YGFUYPJEGCPGES-QFIPXVFZSA-N -1 1 449.555 3.384 40 0 IGABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)c(N4CCCC4=O)c3)ccc21 ZINC000222572004 557354168 /nfs/dbraw/zinc/35/41/68/557354168.db2.gz PYVJMIHQIDOIBD-UHFFFAOYSA-N -1 1 427.526 3.222 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)cc1 ZINC000223755902 557509408 /nfs/dbraw/zinc/50/94/08/557509408.db2.gz WKHUEMMDICDIEY-UHFFFAOYSA-N -1 1 448.522 3.305 40 0 IGABMM COc1cccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224074480 557555696 /nfs/dbraw/zinc/55/56/96/557555696.db2.gz FPRMZWIDGDHFIC-UHFFFAOYSA-N -1 1 426.494 3.305 40 0 IGABMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000000888074 557858079 /nfs/dbraw/zinc/85/80/79/557858079.db2.gz PEMMUXWFJRKKOI-UHFFFAOYSA-N -1 1 426.450 3.447 40 0 IGABMM CCN1CCN(C(=O)c2ncccc2[O-])C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257206721 568668139 /nfs/dbraw/zinc/66/81/39/568668139.db2.gz BERCMOPYNAVQHJ-HXUWFJFHSA-N -1 1 430.508 3.012 40 0 IGABMM O=C([O-])COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000034835103 569247856 /nfs/dbraw/zinc/24/78/56/569247856.db2.gz DEPUBPBIXZFATI-WUXMJOGZSA-N -1 1 449.213 3.008 40 0 IGABMM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000139093098 569254622 /nfs/dbraw/zinc/25/46/22/569254622.db2.gz APPMMNZDRDGGQB-RHSMWYFYSA-N -1 1 431.496 3.366 40 0 IGABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)c1ccccc1 ZINC000408555773 555892638 /nfs/dbraw/zinc/89/26/38/555892638.db2.gz GEZJQRZMVWIRIX-UHFFFAOYSA-N -1 1 439.493 3.237 40 0 IGABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C(=O)N1CCOCC1 ZINC000408588086 555938557 /nfs/dbraw/zinc/93/85/57/555938557.db2.gz CBOXZEQLHXFSRL-QGZVFWFLSA-N -1 1 440.521 3.267 40 0 IGABMM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000408593464 555959609 /nfs/dbraw/zinc/95/96/09/555959609.db2.gz NSLFPHMUOYLEQN-GFCCVEGCSA-N -1 1 447.340 3.324 40 0 IGABMM COc1cc(OC)cc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)c1 ZINC000408603205 555972205 /nfs/dbraw/zinc/97/22/05/555972205.db2.gz BLRXUQBUSRBFDQ-QFIPXVFZSA-N -1 1 426.513 3.376 40 0 IGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OC)c(O)c3)C(=O)[O-])n2)c1 ZINC000408630732 556001665 /nfs/dbraw/zinc/00/16/65/556001665.db2.gz AREJRQXMICDMFA-IDUWFGFVSA-N -1 1 429.454 3.421 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC000013612148 556534695 /nfs/dbraw/zinc/53/46/95/556534695.db2.gz ITGRNUOTTGWXRR-UHFFFAOYSA-N -1 1 430.526 3.129 40 0 IGABMM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000040389095 556637001 /nfs/dbraw/zinc/63/70/01/556637001.db2.gz APPMMNZDRDGGQB-PBHICJAKSA-N -1 1 431.496 3.366 40 0 IGABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[n-]c(=O)c21 ZINC000040400021 556642896 /nfs/dbraw/zinc/64/28/96/556642896.db2.gz IASPFDFBSMLDDE-CQSZACIVSA-N -1 1 433.468 3.149 40 0 IGABMM NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020040585 556971697 /nfs/dbraw/zinc/97/16/97/556971697.db2.gz PPQHKEAAYSAQRJ-UHFFFAOYSA-N -1 1 429.885 3.492 40 0 IGABMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)ccc2N1C(=O)c1ccccc1 ZINC000223268164 557453367 /nfs/dbraw/zinc/45/33/67/557453367.db2.gz LKVYUFUGXGUNKP-HNNXBMFYSA-N -1 1 435.505 3.178 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1C ZINC000223477353 557476921 /nfs/dbraw/zinc/47/69/21/557476921.db2.gz RLXCPLXGLRDYSD-UHFFFAOYSA-N -1 1 438.571 3.287 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c(C)c1 ZINC000223786434 557513080 /nfs/dbraw/zinc/51/30/80/557513080.db2.gz HQVGZCBMNGBTLO-UHFFFAOYSA-N -1 1 434.514 3.119 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3OC)cc2)cc1 ZINC000223981724 557538886 /nfs/dbraw/zinc/53/88/86/557538886.db2.gz HKORMXWVHIBRNH-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3OC)c2)cc1 ZINC000224038736 557549550 /nfs/dbraw/zinc/54/95/50/557549550.db2.gz WNSAEPUSAZDLEO-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000224693695 557641004 /nfs/dbraw/zinc/64/10/04/557641004.db2.gz OGXSWLYGDJYVTG-UHFFFAOYSA-N -1 1 428.510 3.272 40 0 IGABMM CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC000028493202 557714385 /nfs/dbraw/zinc/71/43/85/557714385.db2.gz FKSVBVOYDHVCNY-UHFFFAOYSA-N -1 1 445.541 3.019 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1Cl ZINC000225678774 557761808 /nfs/dbraw/zinc/76/18/08/557761808.db2.gz WAADFYWRRFFHLZ-UHFFFAOYSA-N -1 1 426.903 3.231 40 0 IGABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)COc4ccccc4F)CCO3)n2)s1 ZINC000257270516 568697748 /nfs/dbraw/zinc/69/77/48/568697748.db2.gz MUPAPKYOOJMCDJ-KRWDZBQOSA-N -1 1 443.504 3.357 40 0 IGABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)C(=O)N1CCOCC1 ZINC000408588085 555938569 /nfs/dbraw/zinc/93/85/69/555938569.db2.gz CBOXZEQLHXFSRL-KRWDZBQOSA-N -1 1 440.521 3.267 40 0 IGABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828447 556620456 /nfs/dbraw/zinc/62/04/56/556620456.db2.gz LAKMPXNONCXLGI-ZQIUZPCESA-N -1 1 439.516 3.000 40 0 IGABMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000040390730 556637632 /nfs/dbraw/zinc/63/76/32/556637632.db2.gz NXQKNTBJVCVRMZ-IBGZPJMESA-N -1 1 443.507 3.014 40 0 IGABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000040399818 556642359 /nfs/dbraw/zinc/64/23/59/556642359.db2.gz HIVKKXYTQGWNII-MRXNPFEDSA-N -1 1 433.468 3.203 40 0 IGABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000040399814 556642375 /nfs/dbraw/zinc/64/23/75/556642375.db2.gz VBJFAWLJCGZDJI-QGZVFWFLSA-N -1 1 433.468 3.203 40 0 IGABMM O=C(CCC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019014620 556691778 /nfs/dbraw/zinc/69/17/78/556691778.db2.gz RPPDRUYZOKVNOH-HXUWFJFHSA-N -1 1 426.561 3.089 40 0 IGABMM CSCC[C@@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019083702 556697877 /nfs/dbraw/zinc/69/78/77/556697877.db2.gz WNMRWDQODDKYRQ-CYBMUJFWSA-N -1 1 426.546 3.489 40 0 IGABMM O=S(=O)([N-]c1ncccn1)c1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000019418671 556755461 /nfs/dbraw/zinc/75/54/61/556755461.db2.gz SHDPTVKWVDLADG-UHFFFAOYSA-N -1 1 440.506 3.231 40 0 IGABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000409408814 557107997 /nfs/dbraw/zinc/10/79/97/557107997.db2.gz LSQLIXOBFUWNJO-UHFFFAOYSA-N -1 1 426.585 3.384 40 0 IGABMM CCOc1ccc(CN2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)cc1 ZINC000100243110 557255405 /nfs/dbraw/zinc/25/54/05/557255405.db2.gz MLPTWJXAEXKJTA-HSZRJFAPSA-N -1 1 449.555 3.465 40 0 IGABMM O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(SCc3cccc(F)c3)nc2N1 ZINC000013567432 557346354 /nfs/dbraw/zinc/34/63/54/557346354.db2.gz QLELPUNNQKHWNU-CQSZACIVSA-N -1 1 425.441 3.404 40 0 IGABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)ccc1Cl ZINC000223787835 557513395 /nfs/dbraw/zinc/51/33/95/557513395.db2.gz GFODXHDMWQKRTQ-UHFFFAOYSA-N -1 1 426.878 3.285 40 0 IGABMM O=C(NCc1nc(-c2ccccc2)no1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223930923 557530511 /nfs/dbraw/zinc/53/05/11/557530511.db2.gz STRRJUIADUFWFN-UHFFFAOYSA-N -1 1 434.477 3.467 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)cc1OC ZINC000223988188 557539931 /nfs/dbraw/zinc/53/99/31/557539931.db2.gz RZVXAWKGHZJBBP-UHFFFAOYSA-N -1 1 440.521 3.477 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1OC ZINC000223990271 557540500 /nfs/dbraw/zinc/54/05/00/557540500.db2.gz QWLNZIQIWINUBR-ZSZQSSIHSA-N -1 1 430.526 3.423 40 0 IGABMM COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000224073344 557555525 /nfs/dbraw/zinc/55/55/25/557555525.db2.gz GGTSMTCYIGPVJO-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM CCCn1c2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4=O)c3)cc2sc1=O ZINC000225734535 557770452 /nfs/dbraw/zinc/77/04/52/557770452.db2.gz GYWRRCCARDRKBT-UHFFFAOYSA-N -1 1 431.539 3.401 40 0 IGABMM CCCN1CCN(C(=O)c2ncccc2[O-])C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257213192 568671362 /nfs/dbraw/zinc/67/13/62/568671362.db2.gz CGNJNPYVYSQBDF-NRFANRHFSA-N -1 1 444.535 3.403 40 0 IGABMM COc1ccc(C2(C(=O)N3CCCC[C@H]3c3[n-]ncc3S(C)(=O)=O)CCCC2)cc1 ZINC000257263802 568694996 /nfs/dbraw/zinc/69/49/96/568694996.db2.gz LRNCJFTZNQDNJN-SFHVURJKSA-N -1 1 431.558 3.387 40 0 IGABMM CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)[C@@]23Cc2c(c(C=O)c(CO)cc2[O-])O3)C1(C)C ZINC000252582045 291353165 /nfs/dbraw/zinc/35/31/65/291353165.db2.gz ZTVXBYHCHQJAQR-NFXZVYSSSA-N -1 1 446.540 3.146 40 0 biogenic,in-vitro IGABMM CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)[C@]23Cc2c(c(C=O)c(CO)cc2[O-])O3)C1(C)C ZINC000252582046 291353169 /nfs/dbraw/zinc/35/31/69/291353169.db2.gz ZTVXBYHCHQJAQR-UIYMBOLSSA-N -1 1 446.540 3.146 40 0 biogenic,in-vitro IGABMM CC1=C[C@@H](CNC(=O)COCC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320927 291354682 /nfs/dbraw/zinc/35/46/82/291354682.db2.gz DTKJIHWDCCORMF-BQFCYCMXSA-N -1 1 431.508 3.317 40 0 biogenic,in-vitro IGABMM O=c1cc([O-])n(-c2ccccc2S(=O)(=O)Oc2ccccc2)c(=O)n1C1CCCCC1 ZINC000001578354 132245927 /nfs/dbraw/zinc/24/59/27/132245927.db2.gz BEFDXEZAPJMFBK-UHFFFAOYSA-N -1 1 442.493 3.472 40 0 IGABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)c(C)c3)ccc21 ZINC000012652621 519563415 /nfs/dbraw/zinc/56/34/15/519563415.db2.gz KYBRWWKZYMMZFW-UHFFFAOYSA-N -1 1 427.526 3.222 40 0 IGABMM CC1CCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)CC1 ZINC000022610243 521048641 /nfs/dbraw/zinc/04/86/41/521048641.db2.gz XBBCJZIIPLNZIO-QGZVFWFLSA-N -1 1 431.496 3.224 40 0 IGABMM CCc1ccc(NC(=O)CSc2nc(NS(=O)(=O)c3ccccc3)cc(=O)[n-]2)cc1 ZINC000012493526 523974043 /nfs/dbraw/zinc/97/40/43/523974043.db2.gz WTZGKLFNRYNKOY-UHFFFAOYSA-N -1 1 444.538 3.276 40 0 IGABMM O=C(CCCOc1cccc(F)c1)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012258605 526449479 /nfs/dbraw/zinc/44/94/79/526449479.db2.gz UKUKTBORYAXSAF-UHFFFAOYSA-N -1 1 437.475 3.344 40 0 IGABMM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)c(OC)c1 ZINC000408613090 555978026 /nfs/dbraw/zinc/97/80/26/555978026.db2.gz ZUIKIASCNAGVMH-OAHLLOKOSA-N -1 1 436.530 3.044 40 0 IGABMM CCOC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)CC1 ZINC000010113012 556326587 /nfs/dbraw/zinc/32/65/87/556326587.db2.gz NXPMSGVELPDJBU-UHFFFAOYSA-N -1 1 430.526 3.211 40 0 IGABMM Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000071792874 556609238 /nfs/dbraw/zinc/60/92/38/556609238.db2.gz BFERMUCDPJLURD-UHFFFAOYSA-N -1 1 431.251 3.172 40 0 IGABMM COc1ccc(OCCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000016517176 556613510 /nfs/dbraw/zinc/61/35/10/556613510.db2.gz YJTNYOYWMNYQJV-UHFFFAOYSA-N -1 1 426.494 3.305 40 0 IGABMM Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c1 ZINC000040390736 556637659 /nfs/dbraw/zinc/63/76/59/556637659.db2.gz NBUMEFAXFYSZDY-GOSISDBHSA-N -1 1 443.507 3.014 40 0 IGABMM COC(=O)c1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000015107717 556978280 /nfs/dbraw/zinc/97/82/80/556978280.db2.gz XQIIIPVRIJRDRO-ZJCBTPCYSA-N -1 1 449.507 3.213 40 0 IGABMM COc1ccc(OC)c(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000025830790 557228142 /nfs/dbraw/zinc/22/81/42/557228142.db2.gz YIIKLHCVWBUHEE-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(OC)cc4)[n-]n3c(=O)c2C1 ZINC000100233967 557251889 /nfs/dbraw/zinc/25/18/89/557251889.db2.gz MDRSNWFSALLXGC-QFIPXVFZSA-N -1 1 449.555 3.465 40 0 IGABMM CC(C)(CC(=O)[O-])c1cc(I)c(O)c(I)c1 ZINC000085398517 557346098 /nfs/dbraw/zinc/34/60/98/557346098.db2.gz JWSWOCMECQWTIC-UHFFFAOYSA-N -1 1 446.022 3.354 40 0 IGABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)c(C)c3)ccc21 ZINC000222594349 557358150 /nfs/dbraw/zinc/35/81/50/557358150.db2.gz MVFHDSBGVKDQCU-UHFFFAOYSA-N -1 1 427.526 3.222 40 0 IGABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl ZINC000223011050 557415381 /nfs/dbraw/zinc/41/53/81/557415381.db2.gz IBELHNFSSRPDCM-UHFFFAOYSA-N -1 1 432.951 3.098 40 0 IGABMM CCc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC ZINC000223680260 557501364 /nfs/dbraw/zinc/50/13/64/557501364.db2.gz OYADBFKYDGFURI-UHFFFAOYSA-N -1 1 438.571 3.233 40 0 IGABMM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)ccc1N1CCCC1=O ZINC000223789587 557513651 /nfs/dbraw/zinc/51/36/51/557513651.db2.gz XNNLHDXXJOJDKV-UHFFFAOYSA-N -1 1 427.526 3.358 40 0 IGABMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224038889 557549869 /nfs/dbraw/zinc/54/98/69/557549869.db2.gz BJKHPAQESMAPBO-UHFFFAOYSA-N -1 1 440.521 3.477 40 0 IGABMM COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c1 ZINC000224542773 557619247 /nfs/dbraw/zinc/61/92/47/557619247.db2.gz ZUEXFORXMRRQAN-OAQYLSRUSA-N -1 1 440.477 3.275 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 ZINC000224780181 557650712 /nfs/dbraw/zinc/65/07/12/557650712.db2.gz JVPAUMRLFWZASY-UHFFFAOYSA-N -1 1 428.510 3.272 40 0 IGABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(N4CCCC4=O)c3)cc2sc1=O ZINC000225104882 557688318 /nfs/dbraw/zinc/68/83/18/557688318.db2.gz BVCLTQKZKRKILX-UHFFFAOYSA-N -1 1 447.538 3.019 40 0 IGABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1N1CCCC1=O ZINC000225182283 557697204 /nfs/dbraw/zinc/69/72/04/557697204.db2.gz WQXWMHXCIJGHFD-UHFFFAOYSA-N -1 1 439.537 3.222 40 0 IGABMM Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000225255069 557705649 /nfs/dbraw/zinc/70/56/49/557705649.db2.gz KJHPBBJMAVZQPN-GOSISDBHSA-N -1 1 438.505 3.366 40 0 IGABMM CCOc1ccc(CN2CCO[C@@H](c3cccc([N-]c4nnc(C)s4)n3)C2)cc1CO ZINC000257237684 568682817 /nfs/dbraw/zinc/68/28/17/568682817.db2.gz HHPSPRDAJHDCOR-HXUWFJFHSA-N -1 1 441.557 3.450 40 0 IGABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257255815 568691264 /nfs/dbraw/zinc/69/12/64/568691264.db2.gz KIYVZEUOKMFHCD-IBGZPJMESA-N -1 1 440.887 3.113 40 0 IGABMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCC1)CC2 ZINC000253592412 569208977 /nfs/dbraw/zinc/20/89/77/569208977.db2.gz VVKVLSORIMQOKI-MDYRTPRTSA-N -1 1 426.561 3.357 40 0 IGABMM CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(c(C=O)c(CO)cc2[O-])O3)C(C)(C)[C@@H]1O ZINC000252581641 291353155 /nfs/dbraw/zinc/35/31/55/291353155.db2.gz GWNPFKVCTQYFQY-CLJAHHHUSA-N -1 1 446.540 3.146 40 0 biogenic,in-vitro IGABMM COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)CC1 ZINC000013674873 522912373 /nfs/dbraw/zinc/91/23/73/522912373.db2.gz GMGMHEUJCTYWQG-UHFFFAOYSA-N -1 1 444.553 3.438 40 0 IGABMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc(OC)c1O ZINC000013567309 522924243 /nfs/dbraw/zinc/92/42/43/522924243.db2.gz NBAIPGYQRLBFEY-AWEZNQCLSA-N -1 1 439.493 3.259 40 0 IGABMM COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000000909079 555582241 /nfs/dbraw/zinc/58/22/41/555582241.db2.gz NLKVNDGDQNJNTK-HDMKZQKVSA-N -1 1 428.794 3.453 40 0 IGABMM CSc1ccc(C(=O)C=C([O-])c2cnc(NS(=O)(=O)c3ccccc3)nc2)cc1 ZINC000408534231 555750190 /nfs/dbraw/zinc/75/01/90/555750190.db2.gz UIVACEQKKPQHDQ-UHFFFAOYSA-N -1 1 427.507 3.455 40 0 IGABMM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408557730 555896041 /nfs/dbraw/zinc/89/60/41/555896041.db2.gz OOGKKBIAHDJSOQ-UHFFFAOYSA-N -1 1 447.340 3.326 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)N1CCOCC1 ZINC000408607111 555967382 /nfs/dbraw/zinc/96/73/82/555967382.db2.gz QBYAOWOGJBWXMF-UHFFFAOYSA-N -1 1 439.331 3.031 40 0 IGABMM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000007059495 556114076 /nfs/dbraw/zinc/11/40/76/556114076.db2.gz NLKVNDGDQNJNTK-DAYGRLMNSA-N -1 1 428.794 3.453 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)CC1 ZINC000013669073 556549724 /nfs/dbraw/zinc/54/97/24/556549724.db2.gz BFLSVXZCJBVQFG-UHFFFAOYSA-N -1 1 444.553 3.438 40 0 IGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)ccc1OC ZINC000013681602 556556955 /nfs/dbraw/zinc/55/69/55/556556955.db2.gz FBKZZONFVMWUTF-UHFFFAOYSA-N -1 1 427.320 3.317 40 0 IGABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[n-]c(=O)c32)cc1 ZINC000040390483 556637214 /nfs/dbraw/zinc/63/72/14/556637214.db2.gz FTSNUEOYIMHWMJ-RDJZCZTQSA-N -1 1 439.516 3.002 40 0 IGABMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[n-]c(=O)c21 ZINC000040399831 556642568 /nfs/dbraw/zinc/64/25/68/556642568.db2.gz LHYMBDFVEWFHIA-INIZCTEOSA-N -1 1 433.468 3.149 40 0 IGABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000040400011 556642963 /nfs/dbraw/zinc/64/29/63/556642963.db2.gz KCSOSKBYTXMUGU-AWEZNQCLSA-N -1 1 433.468 3.203 40 0 IGABMM CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019499856 556771730 /nfs/dbraw/zinc/77/17/30/556771730.db2.gz WNCQZTJKBHTDSW-CXAGYDPISA-N -1 1 428.558 3.048 40 0 IGABMM CCC(CC)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019500177 556771992 /nfs/dbraw/zinc/77/19/92/556771992.db2.gz CWXRTDPBNLXSMM-SFHVURJKSA-N -1 1 442.585 3.438 40 0 IGABMM Cc1cccnc1CN1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3 ZINC000100233881 557251399 /nfs/dbraw/zinc/25/13/99/557251399.db2.gz QBTMBKXTNCOXMY-JOCHJYFZSA-N -1 1 448.571 3.406 40 0 IGABMM Cc1cnccc1CN1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3 ZINC000100233852 557251460 /nfs/dbraw/zinc/25/14/60/557251460.db2.gz RSPKSZFFNRGWBX-JOCHJYFZSA-N -1 1 448.571 3.406 40 0 IGABMM CCOc1ccccc1CN1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3 ZINC000100243100 557254830 /nfs/dbraw/zinc/25/48/30/557254830.db2.gz KJAOTZJXTDVROF-JOCHJYFZSA-N -1 1 449.555 3.465 40 0 IGABMM COc1c(C)cccc1CN1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3 ZINC000100243141 557255287 /nfs/dbraw/zinc/25/52/87/557255287.db2.gz RMHPYDJISQPTPP-JOCHJYFZSA-N -1 1 449.555 3.384 40 0 IGABMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)ccc2N1C(=O)c1ccccc1 ZINC000223268114 557453455 /nfs/dbraw/zinc/45/34/55/557453455.db2.gz LKVYUFUGXGUNKP-OAHLLOKOSA-N -1 1 435.505 3.178 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1N1C(=O)CCC1=O ZINC000223582095 557488605 /nfs/dbraw/zinc/48/86/05/557488605.db2.gz TVUHYHFDEJAMNL-UHFFFAOYSA-N -1 1 429.281 3.456 40 0 IGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1C ZINC000223797442 557514830 /nfs/dbraw/zinc/51/48/30/557514830.db2.gz LEWQZEMYDNSEDR-UHFFFAOYSA-N -1 1 431.251 3.187 40 0 IGABMM CNC(=O)c1ccc(OC)c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000224025489 557546861 /nfs/dbraw/zinc/54/68/61/557546861.db2.gz BXMQWVZIRLQTNU-UHFFFAOYSA-N -1 1 439.493 3.108 40 0 IGABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1Cl ZINC000224869052 557660414 /nfs/dbraw/zinc/66/04/14/557660414.db2.gz PGRJHJFMEUXSSU-UHFFFAOYSA-N -1 1 434.901 3.227 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1Br ZINC000225037531 557681518 /nfs/dbraw/zinc/68/15/18/557681518.db2.gz UTBKJQNBZIQRJO-UHFFFAOYSA-N -1 1 429.317 3.172 40 0 IGABMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)sc(=O)n4C)cc2sc1=O ZINC000225073480 557685358 /nfs/dbraw/zinc/68/53/58/557685358.db2.gz GBJWJGCDRFCNGD-UHFFFAOYSA-N -1 1 435.552 3.187 40 0 IGABMM COc1ccc(C2(C(=O)N3CCCC[C@@H]3c3[n-]ncc3S(C)(=O)=O)CCCC2)cc1 ZINC000257263801 568694899 /nfs/dbraw/zinc/69/48/99/568694899.db2.gz LRNCJFTZNQDNJN-GOSISDBHSA-N -1 1 431.558 3.387 40 0 IGABMM Cc1nnc([N-]c2cccc([C@H]3CN(S(=O)(=O)c4ccc(F)c(C)c4)CCO3)n2)s1 ZINC000257342636 568729619 /nfs/dbraw/zinc/72/96/19/568729619.db2.gz ZPMXWBZOVVDHGW-QGZVFWFLSA-N -1 1 449.533 3.195 40 0 IGABMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000253590652 569208788 /nfs/dbraw/zinc/20/87/88/569208788.db2.gz DBZUUQWHTJEADB-MDYRTPRTSA-N -1 1 426.561 3.357 40 0 IGABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253569992 569208858 /nfs/dbraw/zinc/20/88/58/569208858.db2.gz NANBQBIUWYNYBP-CZUORRHYSA-N -1 1 425.489 3.024 40 0 IGABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253569531 569208865 /nfs/dbraw/zinc/20/88/65/569208865.db2.gz MKSQUBAFHWFNMZ-KGLIPLIRSA-N -1 1 425.489 3.024 40 0 IGABMM O=C(COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)NC1=O)Nc1ccccc1F ZINC000033535748 569244399 /nfs/dbraw/zinc/24/43/99/569244399.db2.gz VHUBZMPOLYHRAO-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM O=C(COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)NC1=O)Nc1ccccc1F ZINC000033535748 569244400 /nfs/dbraw/zinc/24/44/00/569244400.db2.gz VHUBZMPOLYHRAO-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM O=C(COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O)Nc1ccccc1F ZINC000033535748 569244402 /nfs/dbraw/zinc/24/44/02/569244402.db2.gz VHUBZMPOLYHRAO-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM Cc1nc(/C=C/C(=O)N2CCC(c3nccnc3[N-]c3nc(C)cc(C)n3)CC2)cs1 ZINC000585291821 569584814 /nfs/dbraw/zinc/58/48/14/569584814.db2.gz TUSOMGFLGLHULU-SNAWJCMRSA-N -1 1 435.557 3.811 40 0 IGABMM Cc1cccc(NC(=O)CSc2nc(NS(=O)(=O)c3ccccc3)cc(=O)[n-]2)c1 ZINC000012492609 524602281 /nfs/dbraw/zinc/60/22/81/524602281.db2.gz JYKAVKBWTUWKOV-UHFFFAOYSA-N -1 1 430.511 3.022 40 0 IGABMM COc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000021961251 524958839 /nfs/dbraw/zinc/95/88/39/524958839.db2.gz XNTRMDMBNDAYQR-UHFFFAOYSA-N -1 1 426.494 3.305 40 0 IGABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCc1ccccn1 ZINC000408605205 555965736 /nfs/dbraw/zinc/96/57/36/555965736.db2.gz MZFFGAMDLLVIJQ-UHFFFAOYSA-N -1 1 431.901 3.231 40 0 IGABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000408693121 556093198 /nfs/dbraw/zinc/09/31/98/556093198.db2.gz IKRHRLXMXCLAFU-UHFFFAOYSA-N -1 1 446.525 3.299 40 0 IGABMM CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400407 556643387 /nfs/dbraw/zinc/64/33/87/556643387.db2.gz AGGDAYOIEVPGRY-KRWDZBQOSA-N -1 1 431.452 3.089 40 0 IGABMM COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1OC ZINC000047156248 556695139 /nfs/dbraw/zinc/69/51/39/556695139.db2.gz OHVSPHGQZOFIAJ-UHFFFAOYSA-N -1 1 440.521 3.477 40 0 IGABMM CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCCC1)CC2 ZINC000019499851 556771710 /nfs/dbraw/zinc/77/17/10/556771710.db2.gz QQXLVYYSHIHKJT-JXFKEZNVSA-N -1 1 428.577 3.335 40 0 IGABMM CCC(CC)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1cccs1)CC2 ZINC000019500179 556772009 /nfs/dbraw/zinc/77/20/09/556772009.db2.gz LJVPIYMXPJOHDK-KRWDZBQOSA-N -1 1 428.558 3.130 40 0 IGABMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc4sc(C(=O)OC)cc4c3)ccc21 ZINC000019936888 556951408 /nfs/dbraw/zinc/95/14/08/556951408.db2.gz QDZBUIZNKWGTOD-UHFFFAOYSA-N -1 1 432.479 3.417 40 0 IGABMM O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000072399056 556971361 /nfs/dbraw/zinc/97/13/61/556971361.db2.gz SAXKBMWMXFRGDK-NRFANRHFSA-N -1 1 440.588 3.479 40 0 IGABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000409197835 556995324 /nfs/dbraw/zinc/99/53/24/556995324.db2.gz PVQAICAGTBRBAR-CAOOACKPSA-N -1 1 446.868 3.492 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 ZINC000106289339 557333651 /nfs/dbraw/zinc/33/36/51/557333651.db2.gz GXTGQRPMAKJPPO-UHFFFAOYSA-N -1 1 426.450 3.477 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC000223755821 557509383 /nfs/dbraw/zinc/50/93/83/557509383.db2.gz BXBVJIXBUCWWAL-UHFFFAOYSA-N -1 1 436.486 3.436 40 0 IGABMM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1N1CCCC1=O ZINC000223789672 557513679 /nfs/dbraw/zinc/51/36/79/557513679.db2.gz DZCRKWDBPDZBBF-UHFFFAOYSA-N -1 1 427.526 3.358 40 0 IGABMM COc1cccc(OC)c1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000224081040 557557723 /nfs/dbraw/zinc/55/77/23/557557723.db2.gz YBNUYIRCLDMPCD-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4CC)cc2sc1=O ZINC000225128286 557690326 /nfs/dbraw/zinc/69/03/26/557690326.db2.gz KCXSNDSNHOHZKV-UHFFFAOYSA-N -1 1 435.552 3.280 40 0 IGABMM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3cc4c(cc3OC)CCCC4)n2)c1 ZINC000225229511 557702839 /nfs/dbraw/zinc/70/28/39/557702839.db2.gz KMVULWQWJSLLGB-UHFFFAOYSA-N -1 1 429.498 3.111 40 0 IGABMM Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000225255101 557705672 /nfs/dbraw/zinc/70/56/72/557705672.db2.gz KJHPBBJMAVZQPN-SFHVURJKSA-N -1 1 438.505 3.366 40 0 IGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C)c(N4CCCC4=O)c3)cc2sc1=O ZINC000225697308 557765790 /nfs/dbraw/zinc/76/57/90/557765790.db2.gz DSRAMAUJKIKJAC-UHFFFAOYSA-N -1 1 431.539 3.319 40 0 IGABMM CC1(C)SC(=S)N(CCN2CCOCC2)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000015162158 568731772 /nfs/dbraw/zinc/73/17/72/568731772.db2.gz QAWLSDQTARDCRR-OAHLLOKOSA-N -1 1 445.010 3.334 40 0 IGABMM O=C([O-])c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000020240405 569241178 /nfs/dbraw/zinc/24/11/78/569241178.db2.gz XWDDJOZJYHHSPO-OVVQPSECSA-N -1 1 442.519 3.471 40 0 IGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)OCC)c(Cl)c2)ccc1OC ZINC000022512585 521747226 /nfs/dbraw/zinc/74/72/26/521747226.db2.gz QCQIBAMVYKMKHD-UHFFFAOYSA-N -1 1 440.905 3.076 40 0 IGABMM O=C([O-])COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000034861910 555541686 /nfs/dbraw/zinc/54/16/86/555541686.db2.gz UIYUHWNGUPYCAU-NTUHNPAUSA-N -1 1 449.213 3.008 40 0 IGABMM CCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000408713244 556129867 /nfs/dbraw/zinc/12/98/67/556129867.db2.gz PHDJBJXFPKEMOF-UHFFFAOYSA-N -1 1 434.905 3.289 40 0 IGABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000040399812 556642274 /nfs/dbraw/zinc/64/22/74/556642274.db2.gz UMCUXSWVJORUBK-KRWDZBQOSA-N -1 1 433.468 3.203 40 0 IGABMM O=C(NC1CCCCC1)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400343 556643370 /nfs/dbraw/zinc/64/33/70/556643370.db2.gz FDKKMWGBNORUOZ-AWEZNQCLSA-N -1 1 449.433 3.407 40 0 IGABMM CSCC[C@H](NC(=O)c1noc2c1C[C@H](C)CC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019497146 556769380 /nfs/dbraw/zinc/76/93/80/556769380.db2.gz HXHBMTXWDCEGOA-HIFRSBDPSA-N -1 1 439.541 3.169 40 0 IGABMM CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCCC1)CC2 ZINC000019499848 556771751 /nfs/dbraw/zinc/77/17/51/556771751.db2.gz QQXLVYYSHIHKJT-OXQOHEQNSA-N -1 1 428.577 3.335 40 0 IGABMM COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)ccc1O ZINC000001464514 556792901 /nfs/dbraw/zinc/79/29/01/556792901.db2.gz MJZCHUYGOTXWQZ-HDMKZQKVSA-N -1 1 444.793 3.158 40 0 IGABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 ZINC000409363152 557083112 /nfs/dbraw/zinc/08/31/12/557083112.db2.gz UTQQZBNMQXCYLV-UHFFFAOYSA-N -1 1 437.521 3.466 40 0 IGABMM CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCCN4Cc4cccc(F)c4)cc3nc2C1 ZINC000100234350 557252881 /nfs/dbraw/zinc/25/28/81/557252881.db2.gz NMMBJIVXMIJTCC-OAQYLSRUSA-N -1 1 437.519 3.452 40 0 IGABMM CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCCN4Cc4ccc(F)cc4)cc3nc2C1 ZINC000100234326 557253011 /nfs/dbraw/zinc/25/30/11/557253011.db2.gz GVYHKJMTUSQYBO-NRFANRHFSA-N -1 1 437.519 3.452 40 0 IGABMM CCOc1ccc(CN2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)cc1 ZINC000100243112 557255476 /nfs/dbraw/zinc/25/54/76/557255476.db2.gz MLPTWJXAEXKJTA-QHCPKHFHSA-N -1 1 449.555 3.465 40 0 IGABMM CN1C(=O)[N-]C(=O)[C@]2(Cc3cc4ccccc4nc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O ZINC000102819182 557308805 /nfs/dbraw/zinc/30/88/05/557308805.db2.gz STYLTALLJCVUIA-ICYAZPSDSA-N -1 1 432.524 3.259 40 0 IGABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC000223068032 557425290 /nfs/dbraw/zinc/42/52/90/557425290.db2.gz XEIOQDVKSUXTHC-UHFFFAOYSA-N -1 1 438.571 3.287 40 0 IGABMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000224024074 557546683 /nfs/dbraw/zinc/54/66/83/557546683.db2.gz FEBKSGPNBNJXPS-UHFFFAOYSA-N -1 1 426.922 3.306 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccco3)cc2)cc1OC ZINC000224085918 557558574 /nfs/dbraw/zinc/55/85/74/557558574.db2.gz MZVURUROABWCON-UHFFFAOYSA-N -1 1 430.482 3.370 40 0 IGABMM CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(=O)OC)c3)ccc21 ZINC000225691775 557764443 /nfs/dbraw/zinc/76/44/43/557764443.db2.gz FVXWTMNPMHBFAZ-UHFFFAOYSA-N -1 1 426.903 3.324 40 0 IGABMM Cc1nnc([N-]c2cccc([C@@H]3CN(CC(=O)N(C)C4CCCCC4)CCO3)n2)s1 ZINC000257313098 568716751 /nfs/dbraw/zinc/71/67/51/568716751.db2.gz URASPOOOSWSXQA-SFHVURJKSA-N -1 1 430.578 3.150 40 0 IGABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000020450552 521473320 /nfs/dbraw/zinc/47/33/20/521473320.db2.gz VYAHGMJKGXKPKA-UHFFFAOYSA-N -1 1 432.498 3.108 40 0 IGABMM COCc1nc(N2CCN(c3cccc(OC)c3)CC2)[n-]c(=O)c1CCc1ccccc1 ZINC000022448800 523213951 /nfs/dbraw/zinc/21/39/51/523213951.db2.gz YFKRQEVBGPRZJX-UHFFFAOYSA-N -1 1 434.540 3.037 40 0 IGABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Cl ZINC000408585632 555936171 /nfs/dbraw/zinc/93/61/71/555936171.db2.gz HJQIHDDGTXEBSV-UHFFFAOYSA-N -1 1 427.862 3.113 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000013676463 556554471 /nfs/dbraw/zinc/55/44/71/556554471.db2.gz DGFLXOYDKRVCJG-UHFFFAOYSA-N -1 1 430.526 3.129 40 0 IGABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828443 556620348 /nfs/dbraw/zinc/62/03/48/556620348.db2.gz LAKMPXNONCXLGI-VBQJREDUSA-N -1 1 439.516 3.000 40 0 IGABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000040400003 556642632 /nfs/dbraw/zinc/64/26/32/556642632.db2.gz UBXFDZNIQOWSMJ-HNNXBMFYSA-N -1 1 433.468 3.203 40 0 IGABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000040400007 556642641 /nfs/dbraw/zinc/64/26/41/556642641.db2.gz GVEJZWYDFVINPY-HNNXBMFYSA-N -1 1 433.468 3.203 40 0 IGABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400401 556643382 /nfs/dbraw/zinc/64/33/82/556643382.db2.gz ZJOMTUYLUGHYAE-HNNXBMFYSA-N -1 1 433.468 3.285 40 0 IGABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400395 556643410 /nfs/dbraw/zinc/64/34/10/556643410.db2.gz VFWIRVNXOVCDRU-QGZVFWFLSA-N -1 1 433.468 3.285 40 0 IGABMM CCc1[nH]nc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c1C ZINC000019520979 556777666 /nfs/dbraw/zinc/77/76/66/556777666.db2.gz BZJLHFAKOPBRIY-HXUWFJFHSA-N -1 1 428.496 3.140 40 0 IGABMM CCOc1ccc(O[C@H](C)C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019533557 556793341 /nfs/dbraw/zinc/79/33/41/556793341.db2.gz ZUQWDQIIQWFERJ-SJORKVTESA-N -1 1 434.496 3.014 40 0 IGABMM Cc1ncsc1C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019562230 556803845 /nfs/dbraw/zinc/80/38/45/556803845.db2.gz JZUXXBZFZWVFLB-GOSISDBHSA-N -1 1 435.484 3.450 40 0 IGABMM COc1ccc2nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[n-]3)nc(C)c2c1 ZINC000009939161 557194457 /nfs/dbraw/zinc/19/44/57/557194457.db2.gz JXCCSWDPSYRWSG-UHFFFAOYSA-N -1 1 435.513 3.473 40 0 IGABMM Cc1nc(N2CCN(C(=O)c3ccco3)CC2)[n-]c(=O)c1Cc1cccc2ccccc21 ZINC000014162214 557427786 /nfs/dbraw/zinc/42/77/86/557427786.db2.gz ZDLBZWTZVJTPNC-UHFFFAOYSA-N -1 1 428.492 3.378 40 0 IGABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CCN(C)CC2)cc1 ZINC000223423230 557470475 /nfs/dbraw/zinc/47/04/75/557470475.db2.gz JVVODYQKETYTCD-UHFFFAOYSA-N -1 1 431.558 3.113 40 0 IGABMM CCc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1OC ZINC000223684714 557501799 /nfs/dbraw/zinc/50/17/99/557501799.db2.gz HNQSPGCLGJXBNG-UHFFFAOYSA-N -1 1 426.560 3.089 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)cc1 ZINC000225250426 557705042 /nfs/dbraw/zinc/70/50/42/557705042.db2.gz CKYLBBSCLCMGNJ-LJQANCHMSA-N -1 1 438.505 3.366 40 0 IGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 ZINC000026115579 569242334 /nfs/dbraw/zinc/24/23/34/569242334.db2.gz KOPDZEZROPLANA-UHFFFAOYSA-N -1 1 434.539 3.232 40 0 IGABMM COc1ccccc1[C@H]1NC(=O)N[C@@](O)(C(F)(F)F)C1=C([O-])c1ccc(Cl)cc1 ZINC000027795096 569299538 /nfs/dbraw/zinc/29/95/38/569299538.db2.gz FBCMKBNRAJGVFT-DAYGRLMNSA-N -1 1 428.794 3.453 40 0 IGABMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000022842649 525004256 /nfs/dbraw/zinc/00/42/56/525004256.db2.gz NKAUASNUKUWTOO-UHFFFAOYSA-N -1 1 426.535 3.500 40 0 IGABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2c(C)cc(I)cc2C)n1 ZINC000035105507 555766558 /nfs/dbraw/zinc/76/65/58/555766558.db2.gz ZRAQQXJMUZDXAD-UHFFFAOYSA-N -1 1 429.283 3.443 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408594247 555960509 /nfs/dbraw/zinc/96/05/09/555960509.db2.gz ODIFUWUNYHUSAA-INIZCTEOSA-N -1 1 448.541 3.204 40 0 IGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)ccc1OC ZINC000013683303 556274628 /nfs/dbraw/zinc/27/46/28/556274628.db2.gz HBYDAVUBUJLFCH-UHFFFAOYSA-N -1 1 433.711 3.272 40 0 IGABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3CC)[n-]c(=O)c21 ZINC000040390558 556637384 /nfs/dbraw/zinc/63/73/84/556637384.db2.gz VXCIMTMSBSQYJU-GJZGRUSLSA-N -1 1 439.516 3.002 40 0 IGABMM COc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)c1 ZINC000040400519 556643283 /nfs/dbraw/zinc/64/32/83/556643283.db2.gz XMHRGIQBPLMNFU-INIZCTEOSA-N -1 1 433.468 3.203 40 0 IGABMM COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400499 556643343 /nfs/dbraw/zinc/64/33/43/556643343.db2.gz MCWHRLVVOXJQJM-HNNXBMFYSA-N -1 1 433.468 3.203 40 0 IGABMM O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019370238 556747752 /nfs/dbraw/zinc/74/77/52/556747752.db2.gz LSQATXGCXBMBED-JOCHJYFZSA-N -1 1 448.567 3.141 40 0 IGABMM CC(C)c1cc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)[nH]n1 ZINC000019451941 556762744 /nfs/dbraw/zinc/76/27/44/556762744.db2.gz AFDRQSRQWWJJEE-FQEVSTJZSA-N -1 1 428.496 3.392 40 0 IGABMM CSCC[C@@H](NC(=O)c1noc2c1C[C@H](C)CC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019497145 556769557 /nfs/dbraw/zinc/76/95/57/556769557.db2.gz HXHBMTXWDCEGOA-UKRRQHHQSA-N -1 1 439.541 3.169 40 0 IGABMM CCc1nnc([N-]c2cccc([C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)n2)s1 ZINC000072376092 556953931 /nfs/dbraw/zinc/95/39/31/556953931.db2.gz DWVYKPXNBQPMDL-AWEZNQCLSA-N -1 1 448.574 3.412 40 0 IGABMM O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000020049685 556974497 /nfs/dbraw/zinc/97/44/97/556974497.db2.gz XVTGLBMUKOIXMW-UHFFFAOYSA-N -1 1 437.930 3.478 40 0 IGABMM COc1ccc(OC)c(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000025830821 557228014 /nfs/dbraw/zinc/22/80/14/557228014.db2.gz AFVDEPYEOYQJQT-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM CC(C)(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCCN4Cc4ccncc4)cc3nc2C1 ZINC000100234412 557252803 /nfs/dbraw/zinc/25/28/03/557252803.db2.gz NFOIYRFEWLHJQZ-HXUWFJFHSA-N -1 1 434.544 3.098 40 0 IGABMM COCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)c1 ZINC000223983619 557539226 /nfs/dbraw/zinc/53/92/26/557539226.db2.gz WGUDVCDVTJLONQ-UHFFFAOYSA-N -1 1 433.267 3.247 40 0 IGABMM Cc1nc2cc([C@@H]3CCCCN3Cc3cccnc3)[n-]n2c(=O)c1CCC(=O)N1CCCC1 ZINC000257243323 568685253 /nfs/dbraw/zinc/68/52/53/568685253.db2.gz IGJXSHHLKBTLAL-QFIPXVFZSA-N -1 1 448.571 3.421 40 0 IGABMM COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=S)NC2=O)cc1 ZINC000033415116 569243998 /nfs/dbraw/zinc/24/39/98/569243998.db2.gz ZJCRVEUUXMILLC-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=S)NC2=O)cc1 ZINC000033415116 569243999 /nfs/dbraw/zinc/24/39/99/569243999.db2.gz ZJCRVEUUXMILLC-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM COc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000033415116 569244000 /nfs/dbraw/zinc/24/40/00/569244000.db2.gz ZJCRVEUUXMILLC-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1 ZINC000033559980 569244538 /nfs/dbraw/zinc/24/45/38/569244538.db2.gz FJTBUQUZSRVUPS-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1 ZINC000033559980 569244540 /nfs/dbraw/zinc/24/45/40/569244540.db2.gz FJTBUQUZSRVUPS-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM COc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1 ZINC000033559980 569244541 /nfs/dbraw/zinc/24/45/41/569244541.db2.gz FJTBUQUZSRVUPS-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM O=S(=O)(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000020459528 527197409 /nfs/dbraw/zinc/19/74/09/527197409.db2.gz SLYZNXCHARHPRN-UHFFFAOYSA-N -1 1 437.930 3.478 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408594249 555960568 /nfs/dbraw/zinc/96/05/68/555960568.db2.gz ODIFUWUNYHUSAA-MRXNPFEDSA-N -1 1 448.541 3.204 40 0 IGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1C ZINC000408693086 556093254 /nfs/dbraw/zinc/09/32/54/556093254.db2.gz GFLHDIHFNHJVHN-UHFFFAOYSA-N -1 1 446.525 3.217 40 0 IGABMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000408722382 556148844 /nfs/dbraw/zinc/14/88/44/556148844.db2.gz SWYKKSKCGRRIDK-UHFFFAOYSA-N -1 1 436.445 3.075 40 0 IGABMM O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000015271903 556514013 /nfs/dbraw/zinc/51/40/13/556514013.db2.gz NVWNCBLKZDLPDD-UHFFFAOYSA-N -1 1 428.441 3.285 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C[C@@]3(O)C(=O)Nc4ccccc43)cc2)cc1 ZINC000016310483 556599269 /nfs/dbraw/zinc/59/92/69/556599269.db2.gz LTFCIFYNVSTTCC-QHCPKHFHSA-N -1 1 436.489 3.209 40 0 IGABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC(=O)N3)cc1 ZINC000040399816 556642300 /nfs/dbraw/zinc/64/23/00/556642300.db2.gz VBJFAWLJCGZDJI-KRWDZBQOSA-N -1 1 433.468 3.203 40 0 IGABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000040399951 556642690 /nfs/dbraw/zinc/64/26/90/556642690.db2.gz CXLXHRFOBIBBQX-INIZCTEOSA-N -1 1 433.468 3.203 40 0 IGABMM CSCC[C@H](NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019083704 556697917 /nfs/dbraw/zinc/69/79/17/556697917.db2.gz WNMRWDQODDKYRQ-ZDUSSCGKSA-N -1 1 426.546 3.489 40 0 IGABMM CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019499858 556771823 /nfs/dbraw/zinc/77/18/23/556771823.db2.gz WNCQZTJKBHTDSW-DYVFJYSZSA-N -1 1 428.558 3.048 40 0 IGABMM COc1ccc(CCCC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1C ZINC000019571285 556811329 /nfs/dbraw/zinc/81/13/29/556811329.db2.gz BJBQJPBEBDSNNU-IBGZPJMESA-N -1 1 432.524 3.488 40 0 IGABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000040390481 556814630 /nfs/dbraw/zinc/81/46/30/556814630.db2.gz FTSNUEOYIMHWMJ-WBVHZDCISA-N -1 1 439.516 3.002 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cc1 ZINC000023155878 557070216 /nfs/dbraw/zinc/07/02/16/557070216.db2.gz DFHCFDWJWYLPMD-LJQANCHMSA-N -1 1 438.505 3.366 40 0 IGABMM Cc1cc(C)nc(SCc2cc(=O)c3c([O-])n(-c4nc5ccccc5s4)nc3[nH]2)n1 ZINC000010152708 557207577 /nfs/dbraw/zinc/20/75/77/557207577.db2.gz VNFNXCHCIPCRJG-UHFFFAOYSA-N -1 1 436.522 3.316 40 0 IGABMM Cc1cc(C)nc(SCc2cc([O-])c3c(=O)n(-c4nc5ccccc5s4)nc-3[nH]2)n1 ZINC000010152708 557207582 /nfs/dbraw/zinc/20/75/82/557207582.db2.gz VNFNXCHCIPCRJG-UHFFFAOYSA-N -1 1 436.522 3.316 40 0 IGABMM CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233666 557250419 /nfs/dbraw/zinc/25/04/19/557250419.db2.gz KHXCCTFBBMWWTE-SFHVURJKSA-N -1 1 448.571 3.140 40 0 IGABMM CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4OC)[n-]n3c(=O)c2C1 ZINC000100233952 557251483 /nfs/dbraw/zinc/25/14/83/557251483.db2.gz IKOIUCIYGCUSJP-NRFANRHFSA-N -1 1 449.555 3.465 40 0 IGABMM CCC(=O)N1CCc2c(nc3cc([C@H]4CCCCN4Cc4cccc(OC)c4)[n-]n3c2=O)C1 ZINC000100234108 557252437 /nfs/dbraw/zinc/25/24/37/557252437.db2.gz CTMIWJHMIAAYIL-JOCHJYFZSA-N -1 1 449.555 3.465 40 0 IGABMM COc1ccc(C)cc1CN1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3 ZINC000100248194 557255735 /nfs/dbraw/zinc/25/57/35/557255735.db2.gz YGFUYPJEGCPGES-JOCHJYFZSA-N -1 1 449.555 3.384 40 0 IGABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222999614 557413938 /nfs/dbraw/zinc/41/39/38/557413938.db2.gz AAJCTCPBWUYICK-UHFFFAOYSA-N -1 1 431.514 3.221 40 0 IGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000014398725 557436282 /nfs/dbraw/zinc/43/62/82/557436282.db2.gz LBXXEFGJDUSGDK-UHFFFAOYSA-N -1 1 446.525 3.155 40 0 IGABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000223270383 557454157 /nfs/dbraw/zinc/45/41/57/557454157.db2.gz UJXRVSQESLZXDA-UHFFFAOYSA-N -1 1 430.267 3.075 40 0 IGABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCCC4)cc3)ccc21 ZINC000223846279 557520121 /nfs/dbraw/zinc/52/01/21/557520121.db2.gz HIPKCALSFYLHPZ-UHFFFAOYSA-N -1 1 427.526 3.023 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1OC ZINC000223987902 557539913 /nfs/dbraw/zinc/53/99/13/557539913.db2.gz NXYHEBPBTTUIAB-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000225254844 557705611 /nfs/dbraw/zinc/70/56/11/557705611.db2.gz OSWXHOGHVGQXGN-SFHVURJKSA-N -1 1 438.505 3.366 40 0 IGABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000225470539 557726525 /nfs/dbraw/zinc/72/65/25/557726525.db2.gz IOXYTVRMVRECEE-RBUKOAKNSA-N -1 1 444.538 3.232 40 0 IGABMM COc1cccc(CC(=O)N2CCO[C@H](c3cccc([N-]c4nnc(C)s4)n3)C2)c1 ZINC000257276239 568700487 /nfs/dbraw/zinc/70/04/87/568700487.db2.gz NSYHPAKWRBNRQK-SFHVURJKSA-N -1 1 425.514 3.136 40 0 IGABMM Cc1nnc([N-]c2cccc([C@@H]3CN(S(=O)(=O)c4ccc(F)c(C)c4)CCO3)n2)s1 ZINC000257342635 568729663 /nfs/dbraw/zinc/72/96/63/568729663.db2.gz ZPMXWBZOVVDHGW-KRWDZBQOSA-N -1 1 449.533 3.195 40 0 IGABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253568292 569208779 /nfs/dbraw/zinc/20/87/79/569208779.db2.gz LAKMPXNONCXLGI-CKEIUWERSA-N -1 1 439.516 3.413 40 0 IGABMM O=S(=O)([O-])c1ccc(NN=c2cc(C(F)(F)F)nc(NC3CCCCC3)[nH]2)cc1 ZINC000329020331 569584202 /nfs/dbraw/zinc/58/42/02/569584202.db2.gz OAYWRBYNOYZXSV-UHFFFAOYSA-N -1 1 431.440 3.926 40 0 IGABMM COC(=O)c1ccc(NCc2ccccn2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223418930 522130106 /nfs/dbraw/zinc/13/01/06/522130106.db2.gz ZSBRAXRJTDNZJJ-UHFFFAOYSA-N -1 1 427.482 3.290 40 0 IGABMM COc1cc(C)c(CCCC(=O)N2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)cc1C ZINC000012258487 522187669 /nfs/dbraw/zinc/18/76/69/522187669.db2.gz LZTOHAXUZFFUTP-UHFFFAOYSA-N -1 1 433.512 3.172 40 0 IGABMM COc1ccc(C(=O)N2CCN([C@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)cc1OC ZINC000408609952 555980170 /nfs/dbraw/zinc/98/01/70/555980170.db2.gz POLFVGVMVMXFQV-HXUWFJFHSA-N -1 1 426.513 3.376 40 0 IGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(OC)c3O)C(=O)[O-])n2)c1 ZINC000408631773 556003366 /nfs/dbraw/zinc/00/33/66/556003366.db2.gz GIBGIEHJQKMYEG-SXGWCWSVSA-N -1 1 429.454 3.421 40 0 IGABMM Cc1nc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)nc2c1C(=O)C[C@H](C)C2 ZINC000013636279 556541193 /nfs/dbraw/zinc/54/11/93/556541193.db2.gz QIIRNRQIMODLEI-GFCCVEGCSA-N -1 1 435.509 3.443 40 0 IGABMM CC(C)(C)C(=O)NC(=S)c1c([O-])n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000016322695 556600646 /nfs/dbraw/zinc/60/06/46/556600646.db2.gz XEANPUZTIKEHTF-UHFFFAOYSA-N -1 1 439.562 3.457 40 0 IGABMM C[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000040389097 556637020 /nfs/dbraw/zinc/63/70/20/556637020.db2.gz APPMMNZDRDGGQB-YOEHRIQHSA-N -1 1 431.496 3.366 40 0 IGABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400017 556643018 /nfs/dbraw/zinc/64/30/18/556643018.db2.gz MTGFYKQBLAAWOC-OAHLLOKOSA-N -1 1 433.468 3.149 40 0 IGABMM COc1ccccc1OCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000018075647 556683046 /nfs/dbraw/zinc/68/30/46/556683046.db2.gz ITJNBPIEAFZCSY-UHFFFAOYSA-N -1 1 426.494 3.305 40 0 IGABMM O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCC3)[n-]c(=O)c2C1 ZINC000019014589 556691395 /nfs/dbraw/zinc/69/13/95/556691395.db2.gz ZJYAYYCRKALRGY-FQEVSTJZSA-N -1 1 426.561 3.089 40 0 IGABMM O=C(CCC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019014618 556691933 /nfs/dbraw/zinc/69/19/33/556691933.db2.gz RPPDRUYZOKVNOH-FQEVSTJZSA-N -1 1 426.561 3.089 40 0 IGABMM CSCC[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019214326 556711353 /nfs/dbraw/zinc/71/13/53/556711353.db2.gz JUCUQIPNJCVCCL-QGZVFWFLSA-N -1 1 444.582 3.221 40 0 IGABMM O=C1[N-]C(=S)NC1=Cc1ccc(OCc2ccc(I)cc2)cc1 ZINC000408993388 556912754 /nfs/dbraw/zinc/91/27/54/556912754.db2.gz DNJDHBYTWITDCH-OQLLNIDSSA-N -1 1 436.274 3.215 40 0 IGABMM CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc([O-])c(Br)c2)C1=O ZINC000409229841 557017165 /nfs/dbraw/zinc/01/71/65/557017165.db2.gz AHVJBXGRZDHCOQ-MHWRWJLKSA-N -1 1 444.285 3.249 40 0 IGABMM CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCCN4Cc4ccccc4F)cc3nc2C1 ZINC000100234342 557252857 /nfs/dbraw/zinc/25/28/57/557252857.db2.gz DCVNCSYJAOWJTP-OAQYLSRUSA-N -1 1 437.519 3.452 40 0 IGABMM COc1cccc(CN2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)c1 ZINC000100242924 557254451 /nfs/dbraw/zinc/25/44/51/557254451.db2.gz BLSFWKYZVFULEQ-QFIPXVFZSA-N -1 1 435.528 3.075 40 0 IGABMM COc1ccc(CN2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)cc1 ZINC000100242885 557254459 /nfs/dbraw/zinc/25/44/59/557254459.db2.gz DECJHSTTXNJOKC-QFIPXVFZSA-N -1 1 435.528 3.075 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1N1C(=O)CCC1=O ZINC000223029497 557417860 /nfs/dbraw/zinc/41/78/60/557417860.db2.gz ANFDBPHOZULIET-UHFFFAOYSA-N -1 1 428.388 3.168 40 0 IGABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000223981786 557538897 /nfs/dbraw/zinc/53/88/97/557538897.db2.gz JPPFCETZOISJHK-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1 ZINC000224076403 557556202 /nfs/dbraw/zinc/55/62/02/557556202.db2.gz MOZDUQFCYNTXDO-UHFFFAOYSA-N -1 1 438.505 3.497 40 0 IGABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)sc(=O)n4CC)ccc21 ZINC000225125364 557690016 /nfs/dbraw/zinc/69/00/16/557690016.db2.gz VOGBDBXMVPSLIH-UHFFFAOYSA-N -1 1 431.539 3.183 40 0 IGABMM CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4ccccc4nc3N3[C@@H]4C[C@@](C)(CC(C)(C)C4)[C@H]32)C1=O ZINC000096803769 557838473 /nfs/dbraw/zinc/83/84/73/557838473.db2.gz STYLTALLJCVUIA-PSRFTFJXSA-N -1 1 432.524 3.259 40 0 IGABMM CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)[C@]23Cc2c(c(C=O)c(CO)cc2[O-])O3)C1(C)C ZINC000252582043 291353609 /nfs/dbraw/zinc/35/36/09/291353609.db2.gz ZTVXBYHCHQJAQR-AOSAFVJRSA-N -1 1 446.540 3.146 40 0 biogenic,in-vitro IGABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1OC ZINC000022526160 524066704 /nfs/dbraw/zinc/06/67/04/524066704.db2.gz ULVXPDIPZHKVNZ-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000021631848 526981347 /nfs/dbraw/zinc/98/13/47/526981347.db2.gz JGSCNTXMRYNERZ-UHFFFAOYSA-N -1 1 442.278 3.219 40 0 IGABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)c1 ZINC000408595874 555962912 /nfs/dbraw/zinc/96/29/12/555962912.db2.gz VRVOEQATRZYDEJ-UHFFFAOYSA-N -1 1 426.494 3.191 40 0 IGABMM COc1cc(OC)cc(C(=O)N2CCN([C@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)c1 ZINC000408603204 555972161 /nfs/dbraw/zinc/97/21/61/555972161.db2.gz BLRXUQBUSRBFDQ-JOCHJYFZSA-N -1 1 426.513 3.376 40 0 IGABMM O=C([O-])c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000004706531 556006922 /nfs/dbraw/zinc/00/69/22/556006922.db2.gz USKLIJOJKWFTOA-UHFFFAOYSA-N -1 1 428.495 3.390 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)N1CCCC1 ZINC000408693310 556093922 /nfs/dbraw/zinc/09/39/22/556093922.db2.gz NNKRLPNRVAYWSY-UHFFFAOYSA-N -1 1 439.331 3.495 40 0 IGABMM COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000007059485 556114175 /nfs/dbraw/zinc/11/41/75/556114175.db2.gz NLKVNDGDQNJNTK-RKVPGOIHSA-N -1 1 428.794 3.453 40 0 IGABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)c(C)c2)CC(=O)N3)cc1 ZINC000040399810 556642349 /nfs/dbraw/zinc/64/23/49/556642349.db2.gz UMCUXSWVJORUBK-QGZVFWFLSA-N -1 1 433.468 3.203 40 0 IGABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(OC)c1 ZINC000045651508 556687140 /nfs/dbraw/zinc/68/71/40/556687140.db2.gz KTJNCHLQYQYQFF-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM Cc1nn(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c(C)c1C ZINC000019556581 556799310 /nfs/dbraw/zinc/79/93/10/556799310.db2.gz HJFZXWLPPBVWFP-QFIPXVFZSA-N -1 1 442.523 3.054 40 0 IGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(I)cc3)cc2oc1=O ZINC000019936767 556951236 /nfs/dbraw/zinc/95/12/36/556951236.db2.gz SOGWWHQYUPDYNC-UHFFFAOYSA-N -1 1 444.250 3.020 40 0 IGABMM NC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020104621 556981635 /nfs/dbraw/zinc/98/16/35/556981635.db2.gz NUIAPDHFOFUDSW-UHFFFAOYSA-N -1 1 429.885 3.492 40 0 IGABMM O=C(OC1=C([O-])N(c2ccccc2F)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000409303053 557055853 /nfs/dbraw/zinc/05/58/53/557055853.db2.gz GNYHGMHQQIOVJT-BGYRXZFFSA-N -1 1 433.391 3.150 40 0 IGABMM CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCCN4Cc4cccnc4)[n-]n3c2=O)C1 ZINC000100234100 557252522 /nfs/dbraw/zinc/25/25/22/557252522.db2.gz MMKGEQNWNJGPJX-NRFANRHFSA-N -1 1 434.544 3.098 40 0 IGABMM COc1ccc(CN2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)cc1 ZINC000100242888 557254530 /nfs/dbraw/zinc/25/45/30/557254530.db2.gz DECJHSTTXNJOKC-JOCHJYFZSA-N -1 1 435.528 3.075 40 0 IGABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc(C)c3)cc2)c1 ZINC000222735500 557381245 /nfs/dbraw/zinc/38/12/45/557381245.db2.gz ZEVALKYNDCMNOM-UHFFFAOYSA-N -1 1 440.521 3.500 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(=O)N1CCC(C)CC1 ZINC000014399523 557436752 /nfs/dbraw/zinc/43/67/52/557436752.db2.gz JKGCBLVJTQJJPB-UHFFFAOYSA-N -1 1 446.525 3.139 40 0 IGABMM CNC(=O)c1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000223970730 557536674 /nfs/dbraw/zinc/53/66/74/557536674.db2.gz QTNRKWPXTKMZMD-UHFFFAOYSA-N -1 1 439.493 3.108 40 0 IGABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2sc1=O ZINC000225125690 557690209 /nfs/dbraw/zinc/69/02/09/557690209.db2.gz YWCBHBOTIZQCIJ-UHFFFAOYSA-N -1 1 443.550 3.183 40 0 IGABMM Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000225250580 557705055 /nfs/dbraw/zinc/70/50/55/557705055.db2.gz BCCAYZQJFWSJSZ-LJQANCHMSA-N -1 1 438.505 3.366 40 0 IGABMM Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000225250620 557705072 /nfs/dbraw/zinc/70/50/72/557705072.db2.gz BCCAYZQJFWSJSZ-IBGZPJMESA-N -1 1 438.505 3.366 40 0 IGABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000225470577 557726532 /nfs/dbraw/zinc/72/65/32/557726532.db2.gz IOXYTVRMVRECEE-RTBURBONSA-N -1 1 444.538 3.232 40 0 IGABMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 ZINC000225748339 557772442 /nfs/dbraw/zinc/77/24/42/557772442.db2.gz SBFYQSGJMMFSSD-UHFFFAOYSA-N -1 1 439.518 3.011 40 0 IGABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000026117466 569242482 /nfs/dbraw/zinc/24/24/82/569242482.db2.gz ITIHDXAFRPKMLN-UHFFFAOYSA-N -1 1 444.937 3.474 40 0 IGABMM CSc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 ZINC000026117429 569242500 /nfs/dbraw/zinc/24/25/00/569242500.db2.gz VLMRZRLRTCSHBO-UHFFFAOYSA-N -1 1 438.596 3.404 40 0 IGABMM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)C1 ZINC000139081509 569254587 /nfs/dbraw/zinc/25/45/87/569254587.db2.gz JWSQYDMCLMDQQE-WMLDXEAASA-N -1 1 431.496 3.224 40 0 IGABMM Cc1nc(/C=C/C(=O)N2CCC[C@H](c3nccnc3[N-]c3nc(C)cc(C)n3)C2)cs1 ZINC000585291874 569584859 /nfs/dbraw/zinc/58/48/59/569584859.db2.gz URCRCRVXONQOLO-LXXRFIIISA-N -1 1 435.557 3.811 40 0 IGABMM CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(c(C=O)c(CO)cc2[O-])O3)C1(C)C ZINC000252582044 291353150 /nfs/dbraw/zinc/35/31/50/291353150.db2.gz ZTVXBYHCHQJAQR-CLJAHHHUSA-N -1 1 446.540 3.146 40 0 biogenic,in-vitro IGABMM Cc1nc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)nc2c1C(=O)CC(C)(C)C2 ZINC000020633907 526978065 /nfs/dbraw/zinc/97/80/65/526978065.db2.gz PEPIBYLVCLCZBT-UHFFFAOYSA-N -1 1 449.536 3.421 40 0 IGABMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000408536049 555758304 /nfs/dbraw/zinc/75/83/04/555758304.db2.gz VLNMLMYLVKNQBB-UHFFFAOYSA-N -1 1 449.536 3.396 40 0 IGABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)cc1 ZINC000408584807 555934773 /nfs/dbraw/zinc/93/47/73/555934773.db2.gz VJLWNADYIKHDQJ-UHFFFAOYSA-N -1 1 435.498 3.305 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCOCC1 ZINC000408627196 555998088 /nfs/dbraw/zinc/99/80/88/555998088.db2.gz YIQCKLICYWMBPJ-UHFFFAOYSA-N -1 1 428.432 3.287 40 0 IGABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCOCC1 ZINC000408636686 556019609 /nfs/dbraw/zinc/01/96/09/556019609.db2.gz SWBAJPKHXWDHEO-UHFFFAOYSA-N -1 1 445.324 3.032 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)CC1 ZINC000013632706 556539803 /nfs/dbraw/zinc/53/98/03/556539803.db2.gz JGFFSFVXKRMNAN-UHFFFAOYSA-N -1 1 444.553 3.438 40 0 IGABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)c1 ZINC000013675613 556553916 /nfs/dbraw/zinc/55/39/16/556553916.db2.gz UUBPBCXOCVCGRU-UHFFFAOYSA-N -1 1 433.267 3.499 40 0 IGABMM CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCCC1)CC2 ZINC000019499849 556771761 /nfs/dbraw/zinc/77/17/61/556771761.db2.gz QQXLVYYSHIHKJT-OXJNMPFZSA-N -1 1 428.577 3.335 40 0 IGABMM COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c(Cl)c3)C2=O)cc1 ZINC000409212674 557007371 /nfs/dbraw/zinc/00/73/71/557007371.db2.gz RPVYQJMJMNSQKW-MFOYZWKCSA-N -1 1 432.885 3.407 40 0 IGABMM Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccc(C(N)=O)cc4)ccc32)cc1 ZINC000223376755 557464847 /nfs/dbraw/zinc/46/48/47/557464847.db2.gz SSFSCZHYSUIEPE-UHFFFAOYSA-N -1 1 435.505 3.098 40 0 IGABMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1)N1CCCCC1 ZINC000223789427 557513611 /nfs/dbraw/zinc/51/36/11/557513611.db2.gz XEEDBFDPPOXPHL-UHFFFAOYSA-N -1 1 427.526 3.240 40 0 IGABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C)c(N4CCCC4=O)c3)ccc21 ZINC000223848378 557520353 /nfs/dbraw/zinc/52/03/53/557520353.db2.gz XZBALVHFIXKSJF-UHFFFAOYSA-N -1 1 427.526 3.222 40 0 IGABMM COc1cccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000223929185 557530026 /nfs/dbraw/zinc/53/00/26/557530026.db2.gz GOAODQUCOXCPKI-UHFFFAOYSA-N -1 1 426.494 3.305 40 0 IGABMM O=C(c1cnccn1)N1CCC(c2ccnc([N-]c3ncccc3C(F)(F)F)n2)CC1 ZINC000257311456 568715940 /nfs/dbraw/zinc/71/59/40/568715940.db2.gz UJNPSIBNJZASLJ-UHFFFAOYSA-N -1 1 429.406 3.444 40 0 IGABMM CCN(CC)c1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000009408875 569295970 /nfs/dbraw/zinc/29/59/70/569295970.db2.gz QCRWDEYAJVFLBJ-KJOQGJGQSA-N -1 1 449.551 3.348 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)n2)cc1C ZINC000096305749 569584317 /nfs/dbraw/zinc/58/43/17/569584317.db2.gz FDTCWKFYQIPNFQ-UHFFFAOYSA-N -1 1 445.566 3.917 40 0 IGABMM COc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)c1 ZINC000035993548 524186522 /nfs/dbraw/zinc/18/65/22/524186522.db2.gz OFABUOFVAURICK-RKVPGOIHSA-N -1 1 428.794 3.453 40 0 IGABMM Cc1nc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)nc2c1C(=O)C[C@@H](C)C2 ZINC000013636275 556541251 /nfs/dbraw/zinc/54/12/51/556541251.db2.gz QIIRNRQIMODLEI-LBPRGKRZSA-N -1 1 435.509 3.443 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1N1CCCC1=O ZINC000044901325 556677655 /nfs/dbraw/zinc/67/76/55/556677655.db2.gz JFFDBQXLLOLSGZ-UHFFFAOYSA-N -1 1 425.304 3.385 40 0 IGABMM O=C(c1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019342705 556740431 /nfs/dbraw/zinc/74/04/31/556740431.db2.gz WQVIMUYRSOBUHS-GOSISDBHSA-N -1 1 440.569 3.274 40 0 IGABMM COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1 ZINC000409061714 556939412 /nfs/dbraw/zinc/93/94/12/556939412.db2.gz GMQJKYMOHJVQLV-YBEGLDIGSA-N -1 1 432.885 3.202 40 0 IGABMM CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4OC)[n-]n3c(=O)c2C1 ZINC000100233957 557252031 /nfs/dbraw/zinc/25/20/31/557252031.db2.gz IKOIUCIYGCUSJP-OAQYLSRUSA-N -1 1 449.555 3.465 40 0 IGABMM CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCCN4Cc4ccc(F)cc4)cc3nc2C1 ZINC000100234330 557252956 /nfs/dbraw/zinc/25/29/56/557252956.db2.gz GVYHKJMTUSQYBO-OAQYLSRUSA-N -1 1 437.519 3.452 40 0 IGABMM O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(SCc3cccc(F)c3)nc2N1 ZINC000013567431 557346397 /nfs/dbraw/zinc/34/63/97/557346397.db2.gz QLELPUNNQKHWNU-AWEZNQCLSA-N -1 1 425.441 3.404 40 0 IGABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 ZINC000026117009 557447907 /nfs/dbraw/zinc/44/79/07/557447907.db2.gz YZLINIDBRHLSJD-UHFFFAOYSA-N -1 1 426.947 3.335 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccco3)cc2)cc1OC ZINC000223991862 557540671 /nfs/dbraw/zinc/54/06/71/557540671.db2.gz MDNWKFMGCQSASQ-UHFFFAOYSA-N -1 1 444.509 3.460 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1 ZINC000224041299 557550091 /nfs/dbraw/zinc/55/00/91/557550091.db2.gz ZDOIVJYMYNBMCN-UHFFFAOYSA-N -1 1 440.477 3.155 40 0 IGABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000225032427 557680609 /nfs/dbraw/zinc/68/06/09/557680609.db2.gz VDYFQAWPDQBDJV-UHFFFAOYSA-N -1 1 426.560 3.143 40 0 IGABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)NC(C)C)c3)cc2sc1=O ZINC000225100764 557688022 /nfs/dbraw/zinc/68/80/22/557688022.db2.gz VPBWFXMZJHHBTR-UHFFFAOYSA-N -1 1 449.554 3.031 40 0 IGABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)cc2sc1=O ZINC000225122638 557689700 /nfs/dbraw/zinc/68/97/00/557689700.db2.gz VRRDNMZYDJDBKP-UHFFFAOYSA-N -1 1 431.539 3.183 40 0 IGABMM CCCN1CCN(C(=O)c2cncc([O-])c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257219172 568674052 /nfs/dbraw/zinc/67/40/52/568674052.db2.gz DFWBLBKSXXXWLI-QFIPXVFZSA-N -1 1 444.535 3.403 40 0 IGABMM Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000108946859 569253171 /nfs/dbraw/zinc/25/31/71/569253171.db2.gz JAANXPXAUQNSPS-WOJGMQOQSA-N -1 1 433.420 3.047 40 0 IGABMM CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H](C)[C@]23Cc2c(c(C=O)c(CO)cc2[O-])O3)C(C)(C)[C@H]1O ZINC000230080242 291353163 /nfs/dbraw/zinc/35/31/63/291353163.db2.gz GWNPFKVCTQYFQY-PRYLJOLQSA-N -1 1 446.540 3.146 40 0 biogenic,in-vitro IGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)OCC)c2)ccc1OC ZINC000020481694 521747253 /nfs/dbraw/zinc/74/72/53/521747253.db2.gz DKVAEWFGWRFDPG-UHFFFAOYSA-N -1 1 440.905 3.076 40 0 IGABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc(OC)c1O ZINC000013567310 522961536 /nfs/dbraw/zinc/96/15/36/522961536.db2.gz NBAIPGYQRLBFEY-CQSZACIVSA-N -1 1 439.493 3.259 40 0 IGABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)N1CCOCC1 ZINC000408555004 555885827 /nfs/dbraw/zinc/88/58/27/555885827.db2.gz FJPUPEBHDKEVHQ-UHFFFAOYSA-N -1 1 445.324 3.032 40 0 IGABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2C)c1 ZINC000408616876 555988063 /nfs/dbraw/zinc/98/80/63/555988063.db2.gz CPXILLYXQFBQEI-UHFFFAOYSA-N -1 1 426.542 3.429 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)CC1 ZINC000010112586 556325913 /nfs/dbraw/zinc/32/59/13/556325913.db2.gz VMFKYKLOKNCHCB-UHFFFAOYSA-N -1 1 444.553 3.438 40 0 IGABMM Cc1ccc2nc(C[C@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289591 556623956 /nfs/dbraw/zinc/62/39/56/556623956.db2.gz VZDUXFWABYIYMJ-IRXDYDNUSA-N -1 1 427.526 3.216 40 0 biogenic,in-vitro IGABMM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)C1 ZINC000040388862 556636597 /nfs/dbraw/zinc/63/65/97/556636597.db2.gz JWSQYDMCLMDQQE-PBHICJAKSA-N -1 1 431.496 3.224 40 0 IGABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399827 556642341 /nfs/dbraw/zinc/64/23/41/556642341.db2.gz BYKSJGVMHLLBQM-KRWDZBQOSA-N -1 1 433.468 3.149 40 0 IGABMM O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCC3)[n-]c(=O)c2C1 ZINC000019014591 556691486 /nfs/dbraw/zinc/69/14/86/556691486.db2.gz ZJYAYYCRKALRGY-HXUWFJFHSA-N -1 1 426.561 3.089 40 0 IGABMM CSCC[C@H](NC(=O)c1cc(C(C)(C)C)nn1C)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019083792 556698302 /nfs/dbraw/zinc/69/83/02/556698302.db2.gz SNTKHEVQHYHZFT-AWEZNQCLSA-N -1 1 440.573 3.499 40 0 IGABMM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)C(C)(C)C)[n-]c(=O)c3C2)s1 ZINC000019216970 556712149 /nfs/dbraw/zinc/71/21/49/556712149.db2.gz QLKWCSWMODLQPV-INIZCTEOSA-N -1 1 428.558 3.048 40 0 IGABMM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)C(C)(C)C)[n-]c(=O)c3C2)s1 ZINC000019216972 556712171 /nfs/dbraw/zinc/71/21/71/556712171.db2.gz QLKWCSWMODLQPV-MRXNPFEDSA-N -1 1 428.558 3.048 40 0 IGABMM O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019370236 556747778 /nfs/dbraw/zinc/74/77/78/556747778.db2.gz LSQATXGCXBMBED-QFIPXVFZSA-N -1 1 448.567 3.141 40 0 IGABMM CSCC[C@H](NC(=O)c1noc2c1C[C@@H](C)CC2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019497148 556769549 /nfs/dbraw/zinc/76/95/49/556769549.db2.gz HXHBMTXWDCEGOA-ZFWWWQNUSA-N -1 1 439.541 3.169 40 0 IGABMM CCOc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019533555 556793253 /nfs/dbraw/zinc/79/32/53/556793253.db2.gz ZUQWDQIIQWFERJ-IRXDYDNUSA-N -1 1 434.496 3.014 40 0 IGABMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 ZINC000008810712 557173210 /nfs/dbraw/zinc/17/32/10/557173210.db2.gz LFOIJVZIXRAPNV-UHFFFAOYSA-N -1 1 431.420 3.117 40 0 IGABMM COc1cccc2c(C)nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[n-]3)nc12 ZINC000009939145 557194491 /nfs/dbraw/zinc/19/44/91/557194491.db2.gz RYMDWJZJFYEWDE-UHFFFAOYSA-N -1 1 435.513 3.473 40 0 IGABMM CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4ccccc4nc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O ZINC000102819186 557308787 /nfs/dbraw/zinc/30/87/87/557308787.db2.gz STYLTALLJCVUIA-CSHOJPIFSA-N -1 1 432.524 3.259 40 0 IGABMM COCCN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409145085 557312479 /nfs/dbraw/zinc/31/24/79/557312479.db2.gz PVNKRGWSVAOSHZ-BJMVGYQFSA-N -1 1 439.658 3.333 40 0 IGABMM CCN1CCN(c2ccc(C(=O)OC)cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)CC1 ZINC000223416909 557469427 /nfs/dbraw/zinc/46/94/27/557469427.db2.gz LIOWPJCGTDLSGH-UHFFFAOYSA-N -1 1 437.949 3.069 40 0 IGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1C ZINC000223786257 557513117 /nfs/dbraw/zinc/51/31/17/557513117.db2.gz HBDGEZBVZGMLCW-UHFFFAOYSA-N -1 1 434.514 3.119 40 0 IGABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000225083961 557686229 /nfs/dbraw/zinc/68/62/29/557686229.db2.gz OIMRABATTMCQEO-UHFFFAOYSA-N -1 1 430.482 3.098 40 0 IGABMM Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000225254807 557705619 /nfs/dbraw/zinc/70/56/19/557705619.db2.gz OSWXHOGHVGQXGN-GOSISDBHSA-N -1 1 438.505 3.366 40 0 IGABMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000225606645 557750589 /nfs/dbraw/zinc/75/05/89/557750589.db2.gz PCMRMUALDAAJAK-UHFFFAOYSA-N -1 1 442.534 3.118 40 0 IGABMM Cc1nnc([N-]c2cccc([C@@H]3CN(S(=O)(=O)c4ccc(F)cc4C)CCO3)n2)s1 ZINC000257221687 568675263 /nfs/dbraw/zinc/67/52/63/568675263.db2.gz DQCORONMRDIBJK-INIZCTEOSA-N -1 1 449.533 3.195 40 0 IGABMM CCOc1ccc(CN2CCO[C@H](c3cccc([N-]c4nnc(C)s4)n3)C2)cc1CO ZINC000257237683 568682745 /nfs/dbraw/zinc/68/27/45/568682745.db2.gz HHPSPRDAJHDCOR-FQEVSTJZSA-N -1 1 441.557 3.450 40 0 IGABMM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCC1)CC2 ZINC000253592414 569208997 /nfs/dbraw/zinc/20/89/97/569208997.db2.gz VVKVLSORIMQOKI-SYNHAJSKSA-N -1 1 426.561 3.357 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1C(=O)N1CCOCC1 ZINC000408603481 555972675 /nfs/dbraw/zinc/97/26/75/555972675.db2.gz KHUOIIYGQNHIKQ-UHFFFAOYSA-N -1 1 439.331 3.031 40 0 IGABMM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)C1 ZINC000040388864 556636718 /nfs/dbraw/zinc/63/67/18/556636718.db2.gz JWSQYDMCLMDQQE-YOEHRIQHSA-N -1 1 431.496 3.224 40 0 IGABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000040400005 556642672 /nfs/dbraw/zinc/64/26/72/556642672.db2.gz GVEJZWYDFVINPY-OAHLLOKOSA-N -1 1 433.468 3.203 40 0 IGABMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3OC)[n-]c(=O)c21 ZINC000040400023 556643004 /nfs/dbraw/zinc/64/30/04/556643004.db2.gz IASPFDFBSMLDDE-AWEZNQCLSA-N -1 1 433.468 3.149 40 0 IGABMM O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019368826 556746774 /nfs/dbraw/zinc/74/67/74/556746774.db2.gz NYTNKBCRMBPMQW-NRFANRHFSA-N -1 1 434.540 3.212 40 0 IGABMM O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019368829 556746784 /nfs/dbraw/zinc/74/67/84/556746784.db2.gz NYTNKBCRMBPMQW-OAQYLSRUSA-N -1 1 434.540 3.212 40 0 IGABMM CC(C)c1cc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)[nH]n1 ZINC000019451943 556762652 /nfs/dbraw/zinc/76/26/52/556762652.db2.gz AFDRQSRQWWJJEE-HXUWFJFHSA-N -1 1 428.496 3.392 40 0 IGABMM Cc1ncc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccc(F)cc2)c(C)n1 ZINC000019552536 556796236 /nfs/dbraw/zinc/79/62/36/556796236.db2.gz UZHBUNYWKSHFFD-OAQYLSRUSA-N -1 1 444.470 3.092 40 0 IGABMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)ccc2s1 ZINC000020025210 556967090 /nfs/dbraw/zinc/96/70/90/556967090.db2.gz VSUYITSEJZGEQI-UHFFFAOYSA-N -1 1 434.495 3.456 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCn3ccnc3)c(Cl)c2)cc1 ZINC000020105870 556982390 /nfs/dbraw/zinc/98/23/90/556982390.db2.gz GTWWGBSGQRZMOB-UHFFFAOYSA-N -1 1 432.933 3.466 40 0 IGABMM CCCN1C(=O)N/C(=C/c2cc(OC)c([O-])c(Br)c2Br)C1=O ZINC000409245994 557027686 /nfs/dbraw/zinc/02/76/86/557027686.db2.gz CHDIIDGHBLNATP-VMPITWQZSA-N -1 1 434.084 3.229 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)CC1 ZINC000010112599 557205118 /nfs/dbraw/zinc/20/51/18/557205118.db2.gz BAMGFRADMCIDDZ-UHFFFAOYSA-N -1 1 430.526 3.129 40 0 IGABMM CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233687 557251070 /nfs/dbraw/zinc/25/10/70/557251070.db2.gz NXDSENOAJOHQGS-IEBWSBKVSA-N -1 1 448.571 3.140 40 0 IGABMM Cc1cnccc1CN1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3 ZINC000100233924 557251603 /nfs/dbraw/zinc/25/16/03/557251603.db2.gz WTZVVWDOMCIPNT-QFIPXVFZSA-N -1 1 446.555 3.160 40 0 IGABMM CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCCN4Cc4cccc(OC)c4)[n-]n3c2=O)C1 ZINC000100234105 557252334 /nfs/dbraw/zinc/25/23/34/557252334.db2.gz CTMIWJHMIAAYIL-QFIPXVFZSA-N -1 1 449.555 3.465 40 0 IGABMM CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCCN4Cc4cccnc4)[n-]n3c2=O)C1 ZINC000100234101 557252537 /nfs/dbraw/zinc/25/25/37/557252537.db2.gz MMKGEQNWNJGPJX-OAQYLSRUSA-N -1 1 434.544 3.098 40 0 IGABMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)ccc1O ZINC000013567410 557346073 /nfs/dbraw/zinc/34/60/73/557346073.db2.gz YJOCMSFCAXEYLI-CYBMUJFWSA-N -1 1 427.457 3.390 40 0 IGABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 ZINC000026114622 557441774 /nfs/dbraw/zinc/44/17/74/557441774.db2.gz TYDMEXNXEDRUBR-UHFFFAOYSA-N -1 1 434.539 3.232 40 0 IGABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)sc(=O)n4C)cc2sc1=O ZINC000225073424 557685450 /nfs/dbraw/zinc/68/54/50/557685450.db2.gz VSKLVBLXJYNVPO-UHFFFAOYSA-N -1 1 435.552 3.358 40 0 IGABMM CCn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)OC)c3)ccc21 ZINC000225122435 557689792 /nfs/dbraw/zinc/68/97/92/557689792.db2.gz ZUFLSQJGMWQTKY-UHFFFAOYSA-N -1 1 426.903 3.324 40 0 IGABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000253569991 569208853 /nfs/dbraw/zinc/20/88/53/569208853.db2.gz NANBQBIUWYNYBP-CJNGLKHVSA-N -1 1 425.489 3.024 40 0 IGABMM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000000912984 569212255 /nfs/dbraw/zinc/21/22/55/569212255.db2.gz PGCKAJIVIJLFNR-VKJFTORMSA-N -1 1 442.777 3.173 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)c1ccc(C)cc1 ZINC000408557791 555896027 /nfs/dbraw/zinc/89/60/27/555896027.db2.gz OBWGWAQAUONWCT-UHFFFAOYSA-N -1 1 439.493 3.156 40 0 IGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1C ZINC000408601750 555970289 /nfs/dbraw/zinc/97/02/89/555970289.db2.gz HATKCWQXQOPVTD-UHFFFAOYSA-N -1 1 444.294 3.150 40 0 IGABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1C ZINC000040390713 556637705 /nfs/dbraw/zinc/63/77/05/556637705.db2.gz GEQGSMIYECTDTF-IBGZPJMESA-N -1 1 443.507 3.014 40 0 IGABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400019 556642947 /nfs/dbraw/zinc/64/29/47/556642947.db2.gz MTGFYKQBLAAWOC-HNNXBMFYSA-N -1 1 433.468 3.149 40 0 IGABMM CCc1nn(C)c(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c1C ZINC000019521044 556777847 /nfs/dbraw/zinc/77/78/47/556777847.db2.gz HDYZYKFWGMJBKN-OAQYLSRUSA-N -1 1 442.523 3.150 40 0 IGABMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)n1 ZINC000001371905 556784795 /nfs/dbraw/zinc/78/47/95/556784795.db2.gz NLRMTLLHVASBMX-UHFFFAOYSA-N -1 1 428.558 3.325 40 0 IGABMM COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(C(=O)c1cncc([O-])c1)CC3)c1cccn1-2 ZINC000072327312 556903890 /nfs/dbraw/zinc/90/38/90/556903890.db2.gz DSTROBHGNHEPAH-VWLOTQADSA-N -1 1 446.507 3.303 40 0 IGABMM Cc1nn(Cc2ccccc2)c(C)c1CN1CCc2c(=O)[n-]c(-c3ccccn3)nc2C1 ZINC000072336799 556909516 /nfs/dbraw/zinc/90/95/16/556909516.db2.gz AVDUGDVKKQRZKN-UHFFFAOYSA-N -1 1 426.524 3.252 40 0 IGABMM CCc1nnc([N-]c2cccc([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)n2)s1 ZINC000072376091 556953791 /nfs/dbraw/zinc/95/37/91/556953791.db2.gz DWVYKPXNBQPMDL-CQSZACIVSA-N -1 1 448.574 3.412 40 0 IGABMM CCCc1n[n-]c(=S)n1NCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000022111542 557179512 /nfs/dbraw/zinc/17/95/12/557179512.db2.gz RZKBTHCHZUDOBD-UHFFFAOYSA-N -1 1 430.486 3.470 40 0 IGABMM O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc21 ZINC000223264707 557452601 /nfs/dbraw/zinc/45/26/01/557452601.db2.gz RTJDZWDAMMHIMU-UHFFFAOYSA-N -1 1 436.489 3.462 40 0 IGABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCCC4)cc3)ccc21 ZINC000223848892 557520608 /nfs/dbraw/zinc/52/06/08/557520608.db2.gz SMCYHELQWYZTJR-UHFFFAOYSA-N -1 1 441.553 3.413 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cccc(OC)c3)cc2)cc1 ZINC000224084487 557558458 /nfs/dbraw/zinc/55/84/58/557558458.db2.gz COHCMVLUTNHEIC-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)ccc1OC ZINC000225155793 557693358 /nfs/dbraw/zinc/69/33/58/557693358.db2.gz LHSCEZMYOBNANB-UHFFFAOYSA-N -1 1 449.554 3.203 40 0 IGABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)COc4ccccc4F)CCO3)n2)s1 ZINC000257270517 568697960 /nfs/dbraw/zinc/69/79/60/568697960.db2.gz MUPAPKYOOJMCDJ-QGZVFWFLSA-N -1 1 443.504 3.357 40 0 IGABMM COc1cccc(CC(=O)N2CCO[C@@H](c3cccc([N-]c4nnc(C)s4)n3)C2)c1 ZINC000257276238 568700426 /nfs/dbraw/zinc/70/04/26/568700426.db2.gz NSYHPAKWRBNRQK-GOSISDBHSA-N -1 1 425.514 3.136 40 0 IGABMM CCN1CCN(C(=O)c2cncc([O-])c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257278792 568701547 /nfs/dbraw/zinc/70/15/47/568701547.db2.gz ODRNXEBPYMJNMO-NRFANRHFSA-N -1 1 430.508 3.012 40 0 IGABMM CCN1CCN(C(=O)c2cncc([O-])c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257278793 568701616 /nfs/dbraw/zinc/70/16/16/568701616.db2.gz ODRNXEBPYMJNMO-OAQYLSRUSA-N -1 1 430.508 3.012 40 0 IGABMM COc1ccc(NC(=O)CN2CCO[C@H](c3cccc([N-]c4nnc(C)s4)n3)C2)cc1 ZINC000257293984 568708415 /nfs/dbraw/zinc/70/84/15/568708415.db2.gz QRYPRADCJFYRAV-SFHVURJKSA-N -1 1 440.529 3.006 40 0 IGABMM CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000010366576 569223944 /nfs/dbraw/zinc/22/39/44/569223944.db2.gz JZIBRGWSJWVYIK-UHFFFAOYSA-N -1 1 445.522 3.111 40 0 IGABMM O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)cc(Br)c2O)C1=O ZINC000210666053 569255877 /nfs/dbraw/zinc/25/58/77/569255877.db2.gz YDGDCKPZCACFNU-KRXBUXKQSA-N -1 1 437.065 3.038 40 0 IGABMM Cc1nc(-c2cccs2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)CCCC(=O)[O-])n1 ZINC000008623073 291360578 /nfs/dbraw/zinc/36/05/78/291360578.db2.gz PMMRBQKVXAZVKB-BBWFWOEESA-N -1 1 428.558 3.062 40 0 biogenic,in-vitro IGABMM Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CCCC(=O)[O-])n1 ZINC000008623073 291360579 /nfs/dbraw/zinc/36/05/79/291360579.db2.gz PMMRBQKVXAZVKB-BBWFWOEESA-N -1 1 428.558 3.062 40 0 biogenic,in-vitro IGABMM CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012241570 523065677 /nfs/dbraw/zinc/06/56/77/523065677.db2.gz MVCHEEZKYMTZSA-LJQANCHMSA-N -1 1 449.511 3.211 40 0 IGABMM CC(C)c1cc(=O)[n-]c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000013567012 535340354 /nfs/dbraw/zinc/34/03/54/535340354.db2.gz SEKGRXHQZMZOGD-UHFFFAOYSA-N -1 1 440.491 3.353 40 0 IGABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCc1cccnc1 ZINC000408600336 555958705 /nfs/dbraw/zinc/95/87/05/555958705.db2.gz AFUFYSMERJCGAD-UHFFFAOYSA-N -1 1 431.901 3.231 40 0 IGABMM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636015 556011851 /nfs/dbraw/zinc/01/18/51/556011851.db2.gz KOUWGQGFTQBLTK-LBPRGKRZSA-N -1 1 447.340 3.324 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000030753195 556503567 /nfs/dbraw/zinc/50/35/67/556503567.db2.gz STKNSWHLNVZZAE-UHFFFAOYSA-N -1 1 436.917 3.166 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c(C)c1 ZINC000030864930 556512017 /nfs/dbraw/zinc/51/20/17/556512017.db2.gz VGYVEHUXHXNHOS-UHFFFAOYSA-N -1 1 432.498 3.108 40 0 IGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1C ZINC000013668406 556548930 /nfs/dbraw/zinc/54/89/30/556548930.db2.gz FNOZMDXOOYUBMX-UHFFFAOYSA-N -1 1 446.525 3.217 40 0 IGABMM CSCC[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019214328 556711409 /nfs/dbraw/zinc/71/14/09/556711409.db2.gz JUCUQIPNJCVCCL-KRWDZBQOSA-N -1 1 444.582 3.221 40 0 IGABMM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)[n-]c(=O)c3C2)s1 ZINC000019216984 556712129 /nfs/dbraw/zinc/71/21/29/556712129.db2.gz SKTWSCJPEZYGCI-SFHVURJKSA-N -1 1 440.569 3.192 40 0 IGABMM CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233681 557250282 /nfs/dbraw/zinc/25/02/82/557250282.db2.gz NXDSENOAJOHQGS-MJGOQNOKSA-N -1 1 448.571 3.140 40 0 IGABMM CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCCN4Cc4cccc(F)c4)cc3nc2C1 ZINC000100234348 557252921 /nfs/dbraw/zinc/25/29/21/557252921.db2.gz NMMBJIVXMIJTCC-NRFANRHFSA-N -1 1 437.519 3.452 40 0 IGABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)sc(=O)n4C(C)C)ccc21 ZINC000225177738 557696690 /nfs/dbraw/zinc/69/66/90/557696690.db2.gz JBFJYWUJMRPBQN-UHFFFAOYSA-N -1 1 431.539 3.354 40 0 IGABMM CS(=O)(=O)c1c[n-]nc1[C@@H]1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257207790 568668564 /nfs/dbraw/zinc/66/85/64/568668564.db2.gz BJGHAMWCEAVUGI-QGZVFWFLSA-N -1 1 443.500 3.161 40 0 IGABMM CS(=O)(=O)c1cn[n-]c1[C@@H]1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257207790 568668569 /nfs/dbraw/zinc/66/85/69/568668569.db2.gz BJGHAMWCEAVUGI-QGZVFWFLSA-N -1 1 443.500 3.161 40 0 IGABMM Cc1nc2cc([C@H]3CCCCN3Cc3cccnc3)[n-]n2c(=O)c1CCC(=O)N1CCCC1 ZINC000257243322 568685280 /nfs/dbraw/zinc/68/52/80/568685280.db2.gz IGJXSHHLKBTLAL-JOCHJYFZSA-N -1 1 448.571 3.421 40 0 IGABMM COc1ccc(NC(=O)CN2CCO[C@@H](c3cccc([N-]c4nnc(C)s4)n3)C2)cc1 ZINC000257293983 568708371 /nfs/dbraw/zinc/70/83/71/568708371.db2.gz QRYPRADCJFYRAV-GOSISDBHSA-N -1 1 440.529 3.006 40 0 IGABMM CC1(C)SC(=S)N(CCN2CCOCC2)[C@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000015162161 568731790 /nfs/dbraw/zinc/73/17/90/568731790.db2.gz QAWLSDQTARDCRR-HNNXBMFYSA-N -1 1 445.010 3.334 40 0 IGABMM CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012241548 523052453 /nfs/dbraw/zinc/05/24/53/523052453.db2.gz PAFVEDKSDNNMEF-OAQYLSRUSA-N -1 1 449.511 3.211 40 0 IGABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000408546626 555801766 /nfs/dbraw/zinc/80/17/66/555801766.db2.gz GEHJAIQDTLVBCV-UHFFFAOYSA-N -1 1 445.522 3.111 40 0 IGABMM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408611243 555976331 /nfs/dbraw/zinc/97/63/31/555976331.db2.gz WHVHHZJIHXOIHM-UHFFFAOYSA-N -1 1 426.922 3.062 40 0 IGABMM COc1cc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccccc3)CC2)cc(OC)c1OC ZINC000408611590 555977073 /nfs/dbraw/zinc/97/70/73/555977073.db2.gz UDHYINBYULJECT-IBGZPJMESA-N -1 1 442.512 3.076 40 0 IGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(O)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408635096 556012236 /nfs/dbraw/zinc/01/22/36/556012236.db2.gz YSICHJXJJWQHRX-IDUWFGFVSA-N -1 1 429.454 3.421 40 0 IGABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)ccc1Cl ZINC000013681536 556557065 /nfs/dbraw/zinc/55/70/65/556557065.db2.gz GUNUSKFIAWDLFZ-UHFFFAOYSA-N -1 1 440.905 3.074 40 0 IGABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400397 556643291 /nfs/dbraw/zinc/64/32/91/556643291.db2.gz VFWIRVNXOVCDRU-KRWDZBQOSA-N -1 1 433.468 3.285 40 0 IGABMM O=C(Cc1cccnc1)N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019402930 556754119 /nfs/dbraw/zinc/75/41/19/556754119.db2.gz ASBLSBFMYJZOCZ-OAQYLSRUSA-N -1 1 429.455 3.009 40 0 IGABMM CCOc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019533551 556793416 /nfs/dbraw/zinc/79/34/16/556793416.db2.gz ZUQWDQIIQWFERJ-DLBZAZTESA-N -1 1 434.496 3.014 40 0 IGABMM COC(=O)c1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@](C)(O)[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000015107711 556978272 /nfs/dbraw/zinc/97/82/72/556978272.db2.gz XQIIIPVRIJRDRO-QVNIBDNGSA-N -1 1 449.507 3.213 40 0 IGABMM CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(OC)cc4)[n-]n3c(=O)c2C1 ZINC000100233968 557251963 /nfs/dbraw/zinc/25/19/63/557251963.db2.gz MDRSNWFSALLXGC-JOCHJYFZSA-N -1 1 449.555 3.465 40 0 IGABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1OC ZINC000026114609 557441759 /nfs/dbraw/zinc/44/17/59/557441759.db2.gz OZBSOTMFTDMLTH-UHFFFAOYSA-N -1 1 436.555 3.463 40 0 IGABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 ZINC000223786349 557513158 /nfs/dbraw/zinc/51/31/58/557513158.db2.gz PHQWTNBHSSCHSZ-UHFFFAOYSA-N -1 1 434.514 3.119 40 0 IGABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 ZINC000223791680 557513942 /nfs/dbraw/zinc/51/39/42/557513942.db2.gz WZHADCXITPQVJP-UHFFFAOYSA-N -1 1 436.555 3.080 40 0 IGABMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1OC ZINC000224073417 557555502 /nfs/dbraw/zinc/55/55/02/557555502.db2.gz AVQZQAIFWHRXFJ-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000224082367 557557771 /nfs/dbraw/zinc/55/77/71/557557771.db2.gz SMNNHILFCDDZOH-UHFFFAOYSA-N -1 1 438.505 3.497 40 0 IGABMM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(OC)c1 ZINC000224094469 557559970 /nfs/dbraw/zinc/55/99/70/557559970.db2.gz AUVOKQQFLUBKAY-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3cccc(OC)c3)c2)cc1 ZINC000224097616 557560211 /nfs/dbraw/zinc/56/02/11/557560211.db2.gz RQLDKMVDQWUISM-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM Cc1nnc([N-]c2cccc([C@H]3CN(S(=O)(=O)c4ccc(F)cc4C)CCO3)n2)s1 ZINC000257221688 568675245 /nfs/dbraw/zinc/67/52/45/568675245.db2.gz DQCORONMRDIBJK-MRXNPFEDSA-N -1 1 449.533 3.195 40 0 IGABMM Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)c(C)n1C[C@@H]1CCCO1 ZINC000222017935 568906916 /nfs/dbraw/zinc/90/69/16/568906916.db2.gz UPPWSZJSZAHBDR-UTKZUKDTSA-N -1 1 439.604 3.162 40 0 IGABMM COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)COCC(=O)[O-])C=C3C)[nH]c2c1 ZINC000072321014 291358909 /nfs/dbraw/zinc/35/89/09/291358909.db2.gz OGMLPJGOLSEZLD-LNLFQRSKSA-N -1 1 443.544 3.186 40 0 biogenic,in-vitro IGABMM CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012241555 522885792 /nfs/dbraw/zinc/88/57/92/522885792.db2.gz PAFVEDKSDNNMEF-NRFANRHFSA-N -1 1 449.511 3.211 40 0 IGABMM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1C ZINC000020493366 525083473 /nfs/dbraw/zinc/08/34/73/525083473.db2.gz NXJYFUOPPZLWAO-UHFFFAOYSA-N -1 1 433.511 3.000 40 0 IGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc4c(c3)OCO4)C(=O)[O-])n2)c1 ZINC000408630753 556001731 /nfs/dbraw/zinc/00/17/31/556001731.db2.gz AUMQAKQPBKTVQW-FMQZQXMHSA-N -1 1 427.438 3.435 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)N1CCCC1 ZINC000408693462 556099230 /nfs/dbraw/zinc/09/92/30/556099230.db2.gz VPYQAEBSICEHKY-UHFFFAOYSA-N -1 1 439.331 3.495 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000408693539 556099307 /nfs/dbraw/zinc/09/93/07/556099307.db2.gz ZEJRPZVFIQWRKR-UHFFFAOYSA-N -1 1 446.525 3.299 40 0 IGABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000029046320 556466063 /nfs/dbraw/zinc/46/60/63/556466063.db2.gz WUMOEBLBESIETR-UHFFFAOYSA-N -1 1 426.560 3.143 40 0 IGABMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000016049042 556580789 /nfs/dbraw/zinc/58/07/89/556580789.db2.gz ASCNETZYKFOLIU-UHFFFAOYSA-N -1 1 444.962 3.324 40 0 IGABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[n-]c(=O)c32)cc1 ZINC000139109920 556721327 /nfs/dbraw/zinc/72/13/27/556721327.db2.gz FTSNUEOYIMHWMJ-DOTOQJQBSA-N -1 1 439.516 3.002 40 0 IGABMM CCc1nn(C)c(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c1C ZINC000019521043 556777872 /nfs/dbraw/zinc/77/78/72/556777872.db2.gz HDYZYKFWGMJBKN-NRFANRHFSA-N -1 1 442.523 3.150 40 0 IGABMM Cc1ncsc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019562227 556803822 /nfs/dbraw/zinc/80/38/22/556803822.db2.gz JZUXXBZFZWVFLB-SFHVURJKSA-N -1 1 435.484 3.450 40 0 IGABMM COc1ccc(CCCC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1C ZINC000019571282 556811314 /nfs/dbraw/zinc/81/13/14/556811314.db2.gz BJBQJPBEBDSNNU-LJQANCHMSA-N -1 1 432.524 3.488 40 0 IGABMM Cc1nnc([N-]c2cccc(C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)n2)s1 ZINC000072376178 556954489 /nfs/dbraw/zinc/95/44/89/556954489.db2.gz IZHPOGJDVSXSAB-UHFFFAOYSA-N -1 1 434.547 3.158 40 0 IGABMM CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccc(OC)c4)[n-]n3c(=O)c2C1 ZINC000100233964 557252070 /nfs/dbraw/zinc/25/20/70/557252070.db2.gz ATSZQOCSTQINHG-QFIPXVFZSA-N -1 1 449.555 3.465 40 0 IGABMM CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCCN4Cc4ccccc4F)cc3nc2C1 ZINC000100234336 557253003 /nfs/dbraw/zinc/25/30/03/557253003.db2.gz DCVNCSYJAOWJTP-NRFANRHFSA-N -1 1 437.519 3.452 40 0 IGABMM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000169689173 557461021 /nfs/dbraw/zinc/46/10/21/557461021.db2.gz PGCKAJIVIJLFNR-MPGHIAIKSA-N -1 1 442.777 3.173 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1NC(C)=O ZINC000225177337 557696764 /nfs/dbraw/zinc/69/67/64/557696764.db2.gz WGJQVQLADODHHG-UHFFFAOYSA-N -1 1 435.527 3.412 40 0 IGABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1[N-]S(C)(=O)=O ZINC000225470504 557726541 /nfs/dbraw/zinc/72/65/41/557726541.db2.gz IOXYTVRMVRECEE-MOPGFXCFSA-N -1 1 444.538 3.232 40 0 IGABMM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccccc1F ZINC000033375526 569243660 /nfs/dbraw/zinc/24/36/60/569243660.db2.gz WJRWEXCSHHIGTQ-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccccc1F ZINC000033375526 569243661 /nfs/dbraw/zinc/24/36/61/569243661.db2.gz WJRWEXCSHHIGTQ-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM O=C(COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccccc1F ZINC000033375526 569243662 /nfs/dbraw/zinc/24/36/62/569243662.db2.gz WJRWEXCSHHIGTQ-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)c1 ZINC000009676725 569559507 /nfs/dbraw/zinc/55/95/07/569559507.db2.gz DTJREDZSQBKUTH-UHFFFAOYSA-N -1 1 428.510 3.353 40 0 IGABMM Cc1nc(/C=C/C(=O)N2CCC[C@@H](c3nccnc3[N-]c3nc(C)cc(C)n3)C2)cs1 ZINC000585291872 569584804 /nfs/dbraw/zinc/58/48/04/569584804.db2.gz URCRCRVXONQOLO-DKRLNXSXSA-N -1 1 435.557 3.811 40 0 IGABMM COc1cccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)c1 ZINC000012291645 524187114 /nfs/dbraw/zinc/18/71/14/524187114.db2.gz OFABUOFVAURICK-HDMKZQKVSA-N -1 1 428.794 3.453 40 0 IGABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OCC)cc2)cc1 ZINC000408583319 555929979 /nfs/dbraw/zinc/92/99/79/555929979.db2.gz HKWRKZYPKFSMHK-UHFFFAOYSA-N -1 1 435.498 3.386 40 0 IGABMM CCOC(=O)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)CC1 ZINC000010113029 556326611 /nfs/dbraw/zinc/32/66/11/556326611.db2.gz ITVPIXNFQNDJBL-UHFFFAOYSA-N -1 1 445.541 3.019 40 0 IGABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c(C)c1 ZINC000040390760 556637573 /nfs/dbraw/zinc/63/75/73/556637573.db2.gz DPDNQTPMZLBJKE-SFHVURJKSA-N -1 1 443.507 3.014 40 0 IGABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000040400001 556642716 /nfs/dbraw/zinc/64/27/16/556642716.db2.gz UBXFDZNIQOWSMJ-OAHLLOKOSA-N -1 1 433.468 3.203 40 0 IGABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)c2ccccc2O3)cc1 ZINC000019142025 556706394 /nfs/dbraw/zinc/70/63/94/556706394.db2.gz SCGOFRJASLJZBN-UHFFFAOYSA-N -1 1 444.490 3.384 40 0 IGABMM CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019499859 556771736 /nfs/dbraw/zinc/77/17/36/556771736.db2.gz WNCQZTJKBHTDSW-GUYCJALGSA-N -1 1 428.558 3.048 40 0 IGABMM CCOc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019533553 556793289 /nfs/dbraw/zinc/79/32/89/556793289.db2.gz ZUQWDQIIQWFERJ-IAGOWNOFSA-N -1 1 434.496 3.014 40 0 IGABMM Cc1ncc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccc(F)cc2)c(C)n1 ZINC000019552533 556796214 /nfs/dbraw/zinc/79/62/14/556796214.db2.gz UZHBUNYWKSHFFD-NRFANRHFSA-N -1 1 444.470 3.092 40 0 IGABMM O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21 ZINC000019961162 556955170 /nfs/dbraw/zinc/95/51/70/556955170.db2.gz NFRGJLHESGPORE-SFHVURJKSA-N -1 1 445.479 3.227 40 0 IGABMM O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21 ZINC000019961158 556955257 /nfs/dbraw/zinc/95/52/57/556955257.db2.gz NFRGJLHESGPORE-GOSISDBHSA-N -1 1 445.479 3.227 40 0 IGABMM CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)CC1 ZINC000409409485 557108461 /nfs/dbraw/zinc/10/84/61/557108461.db2.gz PMFBRTKQTXZHLJ-UHFFFAOYSA-N -1 1 445.541 3.019 40 0 IGABMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 ZINC000008810877 557173496 /nfs/dbraw/zinc/17/34/96/557173496.db2.gz JTIBPTWEWDYGCB-UHFFFAOYSA-N -1 1 431.420 3.117 40 0 IGABMM CCOc1cc(CNn2c(-c3ccccc3)n[n-]c2=S)cc(Cl)c1OCC(N)=O ZINC000022110176 557178410 /nfs/dbraw/zinc/17/84/10/557178410.db2.gz CXVGKOFFGOXXPN-UHFFFAOYSA-N -1 1 433.921 3.268 40 0 IGABMM COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)ccc1O ZINC000004143867 557531328 /nfs/dbraw/zinc/53/13/28/557531328.db2.gz MJZCHUYGOTXWQZ-RKVPGOIHSA-N -1 1 444.793 3.158 40 0 IGABMM COc1cccc(OC)c1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000224094547 557560062 /nfs/dbraw/zinc/56/00/62/557560062.db2.gz HHZKERSGLPFUIA-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM Cc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000224099284 557560631 /nfs/dbraw/zinc/56/06/31/557560631.db2.gz JGMUUZJSHIWENG-UHFFFAOYSA-N -1 1 438.505 3.497 40 0 IGABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000224293263 557586452 /nfs/dbraw/zinc/58/64/52/557586452.db2.gz VLBKDPLUSZTMJI-UHFFFAOYSA-N -1 1 426.560 3.143 40 0 IGABMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1N1CCCC1=O ZINC000225174626 557696292 /nfs/dbraw/zinc/69/62/92/557696292.db2.gz AGQIMOWACRDKAW-UHFFFAOYSA-N -1 1 439.537 3.222 40 0 IGABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225254669 557705606 /nfs/dbraw/zinc/70/56/06/557705606.db2.gz JJEJWDUDLJVNES-KRWDZBQOSA-N -1 1 438.505 3.366 40 0 IGABMM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc21 ZINC000225672316 557760781 /nfs/dbraw/zinc/76/07/81/557760781.db2.gz PPBYQUONTBNRGT-UHFFFAOYSA-N -1 1 446.291 3.005 40 0 IGABMM CCN1CCN(C(=O)c2ncccc2[O-])C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257206720 568668353 /nfs/dbraw/zinc/66/83/53/568668353.db2.gz BERCMOPYNAVQHJ-FQEVSTJZSA-N -1 1 430.508 3.012 40 0 IGABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257325522 568722377 /nfs/dbraw/zinc/72/23/77/568722377.db2.gz WTHVXUMETBDLCB-LJQANCHMSA-N -1 1 440.887 3.113 40 0 IGABMM O=C1N[C@@H](c2ccc(OC(F)F)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000011859113 569217283 /nfs/dbraw/zinc/21/72/83/569217283.db2.gz YMQUCPIBEBAZSR-GLJUWKHASA-N -1 1 430.329 3.392 40 0 IGABMM Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000108165430 569252556 /nfs/dbraw/zinc/25/25/56/569252556.db2.gz DHQLFCMFCYUKSI-YBFXNURJSA-N -1 1 447.447 3.356 40 0 IGABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4CC)[n-]c(=O)c32)cc1 ZINC000139109804 569254810 /nfs/dbraw/zinc/25/48/10/569254810.db2.gz FTSNUEOYIMHWMJ-NVXWUHKLSA-N -1 1 439.516 3.002 40 0 IGABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCc1ccncc1 ZINC000408601375 555969817 /nfs/dbraw/zinc/96/98/17/555969817.db2.gz GDWMNXYUCOBWGP-UHFFFAOYSA-N -1 1 431.901 3.231 40 0 IGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc4c(c3)OCCO4)C(=O)[O-])n2)c1 ZINC000408633961 556009478 /nfs/dbraw/zinc/00/94/78/556009478.db2.gz QKJLMANWLAUCGQ-LSCVHKIXSA-N -1 1 441.465 3.478 40 0 IGABMM CCOC(=O)N1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)CC1 ZINC000010112847 556326180 /nfs/dbraw/zinc/32/61/80/556326180.db2.gz PWRPNHPHDJWNDE-UHFFFAOYSA-N -1 1 445.541 3.019 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)CC1 ZINC000013648917 556545100 /nfs/dbraw/zinc/54/51/00/556545100.db2.gz DRVZDFAENJLGKE-UHFFFAOYSA-N -1 1 444.553 3.438 40 0 IGABMM O=C([O-])C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289380 556625772 /nfs/dbraw/zinc/62/57/72/556625772.db2.gz ROVNSFSWIRXANF-GJZGRUSLSA-N -1 1 431.489 3.046 40 0 biogenic,in-vitro IGABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000005940355 557144690 /nfs/dbraw/zinc/14/46/90/557144690.db2.gz NDRIWMMWEXTWQB-UHFFFAOYSA-N -1 1 447.376 3.280 40 0 IGABMM CC(C)(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCCN4Cc4ccccn4)cc3nc2C1 ZINC000100234424 557252849 /nfs/dbraw/zinc/25/28/49/557252849.db2.gz BQVUWLKBGUYYDH-FQEVSTJZSA-N -1 1 434.544 3.098 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1OC ZINC000016097098 557469234 /nfs/dbraw/zinc/46/92/34/557469234.db2.gz WOKMTIKHYZWCNQ-UHFFFAOYSA-N -1 1 448.522 3.305 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1C(=O)NC(C)C ZINC000223786760 557513147 /nfs/dbraw/zinc/51/31/47/557513147.db2.gz SXZIIRTUHRIRDT-UHFFFAOYSA-N -1 1 445.541 3.069 40 0 IGABMM CC(C)n1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2sc1=O ZINC000225183661 557697126 /nfs/dbraw/zinc/69/71/26/557697126.db2.gz LBXMWKPVUJVACE-UHFFFAOYSA-N -1 1 435.552 3.358 40 0 IGABMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)ccc1Cl ZINC000225678740 557761839 /nfs/dbraw/zinc/76/18/39/557761839.db2.gz QBDJKXAJYVEZDX-UHFFFAOYSA-N -1 1 426.903 3.231 40 0 IGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)c(C)c3)cc2sc1=O ZINC000225697280 557765801 /nfs/dbraw/zinc/76/58/01/557765801.db2.gz RRIQWWOLGNDWLL-UHFFFAOYSA-N -1 1 431.539 3.319 40 0 IGABMM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000026117048 569242486 /nfs/dbraw/zinc/24/24/86/569242486.db2.gz JZXFBWUCJSQJPL-UHFFFAOYSA-N -1 1 436.555 3.080 40 0 IGABMM CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(c(C=O)c(CO)cc2[O-])O3)C(C)(C)[C@H]1O ZINC000252581642 291353159 /nfs/dbraw/zinc/35/31/59/291353159.db2.gz GWNPFKVCTQYFQY-UFFJORDPSA-N -1 1 446.540 3.146 40 0 biogenic,in-vitro IGABMM CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)CC1 ZINC000022610246 521048746 /nfs/dbraw/zinc/04/87/46/521048746.db2.gz XBBCJZIIPLNZIO-KRWDZBQOSA-N -1 1 431.496 3.224 40 0 IGABMM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636023 556012756 /nfs/dbraw/zinc/01/27/56/556012756.db2.gz KQYVYVVTMGQGRG-UHFFFAOYSA-N -1 1 447.340 3.326 40 0 IGABMM COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1F ZINC000408681483 556076260 /nfs/dbraw/zinc/07/62/60/556076260.db2.gz WRQBBXPFYKYZTR-UHFFFAOYSA-N -1 1 442.534 3.200 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)NC(C)C ZINC000010008975 556321228 /nfs/dbraw/zinc/32/12/28/556321228.db2.gz AAVKZKWLAWQQBW-UHFFFAOYSA-N -1 1 427.320 3.397 40 0 IGABMM CCOC(=O)N1CCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000013680177 556556301 /nfs/dbraw/zinc/55/63/01/556556301.db2.gz IAOFJHSEMYOSPL-UHFFFAOYSA-N -1 1 445.541 3.019 40 0 IGABMM CCOC(=O)C1CCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000013682074 556557348 /nfs/dbraw/zinc/55/73/48/556557348.db2.gz HESFIWSHFXXELX-UHFFFAOYSA-N -1 1 430.526 3.211 40 0 IGABMM NC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000038755279 556617535 /nfs/dbraw/zinc/61/75/35/556617535.db2.gz UPSYPHFBXBUWOU-UHFFFAOYSA-N -1 1 429.885 3.492 40 0 IGABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000040400009 556643026 /nfs/dbraw/zinc/64/30/26/556643026.db2.gz KCSOSKBYTXMUGU-CQSZACIVSA-N -1 1 433.468 3.203 40 0 IGABMM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000047156128 556695151 /nfs/dbraw/zinc/69/51/51/556695151.db2.gz AJHNZHYSEDODTA-UHFFFAOYSA-N -1 1 435.549 3.445 40 0 IGABMM CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233683 557251058 /nfs/dbraw/zinc/25/10/58/557251058.db2.gz NXDSENOAJOHQGS-HKUYNNGSSA-N -1 1 448.571 3.140 40 0 IGABMM CC(C)(C)C(=O)N1CCc2c(=O)n3[n-]c([C@H]4CCCN4Cc4ccccn4)cc3nc2C1 ZINC000100234427 557252938 /nfs/dbraw/zinc/25/29/38/557252938.db2.gz BQVUWLKBGUYYDH-HXUWFJFHSA-N -1 1 434.544 3.098 40 0 IGABMM CC(C)(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCCN4Cc4ccncc4)cc3nc2C1 ZINC000100234410 557252987 /nfs/dbraw/zinc/25/29/87/557252987.db2.gz NFOIYRFEWLHJQZ-FQEVSTJZSA-N -1 1 434.544 3.098 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN(C)c3ccccc3)cc2)cc1 ZINC000223987087 557539716 /nfs/dbraw/zinc/53/97/16/557539716.db2.gz ZAYRCDHQZMQJCP-UHFFFAOYSA-N -1 1 439.537 3.362 40 0 IGABMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c(OC)c1 ZINC000224073272 557555458 /nfs/dbraw/zinc/55/54/58/557555458.db2.gz PDXVEPSTSFPJHI-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM COc1cccc(OC)c1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224073491 557555786 /nfs/dbraw/zinc/55/57/86/557555786.db2.gz YLHFCLUILOMODF-UHFFFAOYSA-N -1 1 426.494 3.435 40 0 IGABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225254637 557705705 /nfs/dbraw/zinc/70/57/05/557705705.db2.gz JJEJWDUDLJVNES-QGZVFWFLSA-N -1 1 438.505 3.366 40 0 IGABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)cc(C(=O)OC)c1 ZINC000225872342 557787792 /nfs/dbraw/zinc/78/77/92/557787792.db2.gz OISBYXDKXJZXBW-UHFFFAOYSA-N -1 1 429.450 3.222 40 0 IGABMM CCCN1CCN(C(=O)c2cncc([O-])c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257219171 568673991 /nfs/dbraw/zinc/67/39/91/568673991.db2.gz DFWBLBKSXXXWLI-JOCHJYFZSA-N -1 1 444.535 3.403 40 0 IGABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257255816 568691219 /nfs/dbraw/zinc/69/12/19/568691219.db2.gz KIYVZEUOKMFHCD-LJQANCHMSA-N -1 1 440.887 3.113 40 0 IGABMM Cc1nnc([N-]c2cccc([C@H]3CN(CC(=O)N(C)C4CCCCC4)CCO3)n2)s1 ZINC000257313097 568716904 /nfs/dbraw/zinc/71/69/04/568716904.db2.gz URASPOOOSWSXQA-GOSISDBHSA-N -1 1 430.578 3.150 40 0 IGABMM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000033933494 526678008 /nfs/dbraw/zinc/67/80/08/526678008.db2.gz PGCKAJIVIJLFNR-RLFYNMQTSA-N -1 1 442.777 3.173 40 0 IGABMM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408589999 555947136 /nfs/dbraw/zinc/94/71/36/555947136.db2.gz GPLYNGKWPFZBOZ-GFCCVEGCSA-N -1 1 447.340 3.324 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000408693198 556093524 /nfs/dbraw/zinc/09/35/24/556093524.db2.gz KHFZMKKOPLBVQB-UHFFFAOYSA-N -1 1 445.324 3.275 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc4c(c3)OCCO4)c2)cc1 ZINC000015557420 556534635 /nfs/dbraw/zinc/53/46/35/556534635.db2.gz MBEYOUORPLIXNZ-UHFFFAOYSA-N -1 1 438.505 3.497 40 0 IGABMM COC(=O)c1cc(NC(=O)c2cc(NC(C)=O)c3ccccc3c2[O-])cc(C(=O)OC)c1 ZINC000016321137 556600329 /nfs/dbraw/zinc/60/03/29/556600329.db2.gz GXOCKJCMXPBXGI-UHFFFAOYSA-N -1 1 436.420 3.329 40 0 IGABMM O=C([O-])C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000514289752 556623934 /nfs/dbraw/zinc/62/39/34/556623934.db2.gz ZXWYPKDJRVLUHV-HOTGVXAUSA-N -1 1 425.460 3.263 40 0 biogenic,in-vitro IGABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[n-]c(=O)c21 ZINC000040399829 556642556 /nfs/dbraw/zinc/64/25/56/556642556.db2.gz LHYMBDFVEWFHIA-MRXNPFEDSA-N -1 1 433.468 3.149 40 0 IGABMM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)C4CCCC4)[n-]c(=O)c3C2)s1 ZINC000019216987 556712220 /nfs/dbraw/zinc/71/22/20/556712220.db2.gz SKTWSCJPEZYGCI-GOSISDBHSA-N -1 1 440.569 3.192 40 0 IGABMM COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(C(=O)c1cncc([O-])c1)CC3)c1cccn1-2 ZINC000072327311 556903914 /nfs/dbraw/zinc/90/39/14/556903914.db2.gz DSTROBHGNHEPAH-RUZDIDTESA-N -1 1 446.507 3.303 40 0 IGABMM O=C(c1cnc(-c2ccccc2)[n-]c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019937333 556951453 /nfs/dbraw/zinc/95/14/53/556951453.db2.gz OHFKZIJAAGLRLS-UHFFFAOYSA-N -1 1 428.414 3.418 40 0 IGABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000020021038 556964809 /nfs/dbraw/zinc/96/48/09/556964809.db2.gz HSHFQRSRKSKMDP-UHFFFAOYSA-N -1 1 444.484 3.330 40 0 IGABMM CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4Cc4ccsc4)[n-]n3c2=O)C1 ZINC000100234386 557252864 /nfs/dbraw/zinc/25/28/64/557252864.db2.gz FTMSUSBAYPMCDM-IBGZPJMESA-N -1 1 425.558 3.374 40 0 IGABMM CCOc1ccccc1CN1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3 ZINC000100243104 557254852 /nfs/dbraw/zinc/25/48/52/557254852.db2.gz KJAOTZJXTDVROF-QFIPXVFZSA-N -1 1 449.555 3.465 40 0 IGABMM CN1C(=O)S/C(=C/c2cc(Br)cc(I)c2[O-])C1=O ZINC000408816867 557424445 /nfs/dbraw/zinc/42/44/45/557424445.db2.gz WTJCTJXPTCDYBV-FPYGCLRLSA-N -1 1 440.056 3.425 40 0 IGABMM O=C1N[C@@H](c2ccc(OC(F)F)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169616049 557460322 /nfs/dbraw/zinc/46/03/22/557460322.db2.gz YMQUCPIBEBAZSR-DEYYWGMASA-N -1 1 430.329 3.392 40 0 IGABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc(C(=O)OC)c1 ZINC000223667349 557499819 /nfs/dbraw/zinc/49/98/19/557499819.db2.gz XBZDRIBGVOQXMH-UHFFFAOYSA-N -1 1 433.482 3.164 40 0 IGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)ccc1OC ZINC000223784165 557512711 /nfs/dbraw/zinc/51/27/11/557512711.db2.gz QTIJMIVOYONDLT-UHFFFAOYSA-N -1 1 440.521 3.477 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1Cl ZINC000223787906 557513375 /nfs/dbraw/zinc/51/33/75/557513375.db2.gz VYYLQXLNDRLSTK-UHFFFAOYSA-N -1 1 426.878 3.285 40 0 IGABMM COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc([O-])cc2O3)cc1Cl ZINC000225819883 557781049 /nfs/dbraw/zinc/78/10/49/557781049.db2.gz URWUFEGZKWGFMT-UHFFFAOYSA-N -1 1 437.901 3.243 40 0 IGABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257325521 568722612 /nfs/dbraw/zinc/72/26/12/568722612.db2.gz WTHVXUMETBDLCB-IBGZPJMESA-N -1 1 440.887 3.113 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1F ZINC000032587880 569243465 /nfs/dbraw/zinc/24/34/65/569243465.db2.gz HUAVFJLPVCETTG-UHFFFAOYSA-N -1 1 436.486 3.436 40 0 IGABMM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc4ccccc42)CC(=O)N3)C1 ZINC000139081395 569254627 /nfs/dbraw/zinc/25/46/27/569254627.db2.gz JWSQYDMCLMDQQE-RHSMWYFYSA-N -1 1 431.496 3.224 40 0 IGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1C ZINC000022516665 521547209 /nfs/dbraw/zinc/54/72/09/521547209.db2.gz JUJFRWKIPWNKGD-UHFFFAOYSA-N -1 1 432.498 3.108 40 0 IGABMM Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)c3cncc([O-])c3)CC2)on1 ZINC000012133134 526046495 /nfs/dbraw/zinc/04/64/95/526046495.db2.gz MOTYMUPUIUETDH-UHFFFAOYSA-N -1 1 434.500 3.161 40 0 IGABMM COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)[O-])c3ccc(C)cc3)CC2)cc1OC ZINC000408609950 555980165 /nfs/dbraw/zinc/98/01/65/555980165.db2.gz POLFVGVMVMXFQV-FQEVSTJZSA-N -1 1 426.513 3.376 40 0 IGABMM COC(=O)c1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000036556789 556288807 /nfs/dbraw/zinc/28/88/07/556288807.db2.gz XQIIIPVRIJRDRO-DZRGJMJISA-N -1 1 449.507 3.213 40 0 IGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1 ZINC000028196357 556445181 /nfs/dbraw/zinc/44/51/81/556445181.db2.gz KHTLQPGKAPOIIU-UHFFFAOYSA-N -1 1 431.251 3.187 40 0 IGABMM CCOC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)CC1 ZINC000013677537 556555125 /nfs/dbraw/zinc/55/51/25/556555125.db2.gz TUTCHLPTKIMSFQ-UHFFFAOYSA-N -1 1 430.526 3.211 40 0 IGABMM Cc1ccc(C(c2c(=O)nc3[nH]cccc-3c2O)c2c([O-])c3cccnc3[nH]c2=O)cc1 ZINC000016292141 556598107 /nfs/dbraw/zinc/59/81/07/556598107.db2.gz ROQSJRKSCCEBBG-UHFFFAOYSA-N -1 1 426.432 3.059 40 0 IGABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000040399950 556642743 /nfs/dbraw/zinc/64/27/43/556642743.db2.gz CXLXHRFOBIBBQX-MRXNPFEDSA-N -1 1 433.468 3.203 40 0 IGABMM O=C(Cc1cccnc1)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019402933 556754105 /nfs/dbraw/zinc/75/41/05/556754105.db2.gz ASBLSBFMYJZOCZ-NRFANRHFSA-N -1 1 429.455 3.009 40 0 IGABMM Cc1cc(C)nc(-n2nc3[nH]c(COc4ccc(Cl)cc4Cl)cc(=O)c3c2[O-])n1 ZINC000009926403 557193820 /nfs/dbraw/zinc/19/38/20/557193820.db2.gz ZNROQLDDFNZEIC-UHFFFAOYSA-N -1 1 432.267 3.300 40 0 IGABMM Cc1cc(C)nc(-n2nc3[nH]c(COc4ccc(Cl)cc4Cl)cc([O-])c-3c2=O)n1 ZINC000009926403 557193824 /nfs/dbraw/zinc/19/38/24/557193824.db2.gz ZNROQLDDFNZEIC-UHFFFAOYSA-N -1 1 432.267 3.300 40 0 IGABMM COC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)CC1 ZINC000010112593 557205262 /nfs/dbraw/zinc/20/52/62/557205262.db2.gz CALDJEFMQRTDMZ-UHFFFAOYSA-N -1 1 430.526 3.129 40 0 IGABMM Cc1cnccc1CN1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3 ZINC000100233923 557251518 /nfs/dbraw/zinc/25/15/18/557251518.db2.gz WTZVVWDOMCIPNT-JOCHJYFZSA-N -1 1 446.555 3.160 40 0 IGABMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c(Cl)cc21 ZINC000223344992 557460873 /nfs/dbraw/zinc/46/08/73/557460873.db2.gz PWTMUZMSUWDQAA-UHFFFAOYSA-N -1 1 435.658 3.487 40 0 IGABMM COc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)ccc1O ZINC000004143869 557531408 /nfs/dbraw/zinc/53/14/08/557531408.db2.gz MJZCHUYGOTXWQZ-DAYGRLMNSA-N -1 1 444.793 3.158 40 0 IGABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)ccc1F ZINC000225603756 557750139 /nfs/dbraw/zinc/75/01/39/557750139.db2.gz WZGTVFCDCXHSCL-UHFFFAOYSA-N -1 1 426.535 3.500 40 0 IGABMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)N4CCCCC4)cc3)cc2sc1=O ZINC000225683137 557762762 /nfs/dbraw/zinc/76/27/62/557762762.db2.gz UZUKMUCEHLHTID-UHFFFAOYSA-N -1 1 431.539 3.027 40 0 IGABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257305172 568713553 /nfs/dbraw/zinc/71/35/53/568713553.db2.gz SOSIXEDOVCNHRK-LJQANCHMSA-N -1 1 440.887 3.113 40 0 IGABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)CC4(O)CCCCC4)CCO3)n2)s1 ZINC000257315568 568718057 /nfs/dbraw/zinc/71/80/57/568718057.db2.gz VBYSZZKXMCCZGX-MRXNPFEDSA-N -1 1 431.562 3.224 40 0 IGABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253569532 569208862 /nfs/dbraw/zinc/20/88/62/569208862.db2.gz MKSQUBAFHWFNMZ-ZIAGYGMSSA-N -1 1 425.489 3.024 40 0 IGABMM O=C1N[C@@H](c2ccc3c(c2)OCO3)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000013427351 569316143 /nfs/dbraw/zinc/31/61/43/569316143.db2.gz PGCKAJIVIJLFNR-RVKKMQEKSA-N -1 1 442.777 3.173 40 0 IGABMM Cc1ccc(S(=O)(=O)Nc2cc(=O)[n-]c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000012492612 525593580 /nfs/dbraw/zinc/59/35/80/525593580.db2.gz AHKBVKBORGCUET-UHFFFAOYSA-N -1 1 444.538 3.331 40 0 IGABMM O=C([O-])COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000020501865 527619570 /nfs/dbraw/zinc/61/95/70/527619570.db2.gz QRDNEVXKPVQSKQ-XPWALMASSA-N -1 1 444.443 3.201 40 0 IGABMM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000408590001 555947178 /nfs/dbraw/zinc/94/71/78/555947178.db2.gz GPLYNGKWPFZBOZ-LBPRGKRZSA-N -1 1 447.340 3.324 40 0 IGABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 ZINC000408597198 555964665 /nfs/dbraw/zinc/96/46/65/555964665.db2.gz XVUWAPXYXUQTNH-UHFFFAOYSA-N -1 1 440.521 3.234 40 0 IGABMM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl ZINC000408636014 556011829 /nfs/dbraw/zinc/01/18/29/556011829.db2.gz KOUWGQGFTQBLTK-GFCCVEGCSA-N -1 1 447.340 3.324 40 0 IGABMM CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000035394362 556094950 /nfs/dbraw/zinc/09/49/50/556094950.db2.gz VUHIGOGZRXGDQI-AWNIVKPZSA-N -1 1 448.815 3.297 40 0 IGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c(C)c1 ZINC000013670445 556551354 /nfs/dbraw/zinc/55/13/54/556551354.db2.gz OWWRQZSJLHRAAT-UHFFFAOYSA-N -1 1 446.525 3.217 40 0 IGABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828445 556620400 /nfs/dbraw/zinc/62/04/00/556620400.db2.gz LAKMPXNONCXLGI-GRDNDAEWSA-N -1 1 439.516 3.000 40 0 IGABMM COc1ccc(C(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccc(OC)cc4[nH]3)C2)cc1 ZINC000514288414 556624609 /nfs/dbraw/zinc/62/46/09/556624609.db2.gz DFKCHUHHYKWAGO-IRXDYDNUSA-N -1 1 437.496 3.376 40 0 biogenic,in-vitro IGABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399825 556642396 /nfs/dbraw/zinc/64/23/96/556642396.db2.gz BYKSJGVMHLLBQM-QGZVFWFLSA-N -1 1 433.468 3.149 40 0 IGABMM COc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)c1 ZINC000040400521 556643301 /nfs/dbraw/zinc/64/33/01/556643301.db2.gz XMHRGIQBPLMNFU-MRXNPFEDSA-N -1 1 433.468 3.203 40 0 IGABMM Cc1nn(CC(=O)N[C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c(C)c1C ZINC000019556584 556799274 /nfs/dbraw/zinc/79/92/74/556799274.db2.gz HJFZXWLPPBVWFP-JOCHJYFZSA-N -1 1 442.523 3.054 40 0 IGABMM CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc([O-])c(Br)c3)C2=O)CC1 ZINC000409343964 557071197 /nfs/dbraw/zinc/07/11/97/557071197.db2.gz GBBGBMJBYVSZMK-OQLLNIDSSA-N -1 1 439.331 3.450 40 0 IGABMM CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1 ZINC000216400936 557145292 /nfs/dbraw/zinc/14/52/92/557145292.db2.gz IJMJHUWMHYVNGA-UHFFFAOYSA-N -1 1 433.511 3.082 40 0 IGABMM CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4Cc4ccsc4)[n-]n3c2=O)C1 ZINC000100234389 557252810 /nfs/dbraw/zinc/25/28/10/557252810.db2.gz FTMSUSBAYPMCDM-LJQANCHMSA-N -1 1 425.558 3.374 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1N1C(=O)CCC1=O ZINC000223077388 557427215 /nfs/dbraw/zinc/42/72/15/557427215.db2.gz RHOOLMNARTYMEB-UHFFFAOYSA-N -1 1 429.281 3.456 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)cc1NC(C)=O ZINC000223788888 557513662 /nfs/dbraw/zinc/51/36/62/557513662.db2.gz XSMGEHGCEYCKPX-UHFFFAOYSA-N -1 1 431.514 3.081 40 0 IGABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)cc1 ZINC000225250466 557705007 /nfs/dbraw/zinc/70/50/07/557705007.db2.gz CKYLBBSCLCMGNJ-IBGZPJMESA-N -1 1 438.505 3.366 40 0 IGABMM Cc1ccc(NC(=O)CSc2nc(NS(=O)(=O)c3ccc(C)cc3)cc(=O)[n-]2)cc1 ZINC000008671521 562960909 /nfs/dbraw/zinc/96/09/09/562960909.db2.gz IPRFSMUAITXYOU-UHFFFAOYSA-N -1 1 444.538 3.331 40 0 IGABMM CS(=O)(=O)c1c[n-]nc1[C@H]1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257207789 568668606 /nfs/dbraw/zinc/66/86/06/568668606.db2.gz BJGHAMWCEAVUGI-KRWDZBQOSA-N -1 1 443.500 3.161 40 0 IGABMM CS(=O)(=O)c1cn[n-]c1[C@H]1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257207789 568668610 /nfs/dbraw/zinc/66/86/10/568668610.db2.gz BJGHAMWCEAVUGI-KRWDZBQOSA-N -1 1 443.500 3.161 40 0 IGABMM CCCN1CCN(C(=O)c2ncccc2[O-])C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257213193 568671405 /nfs/dbraw/zinc/67/14/05/568671405.db2.gz CGNJNPYVYSQBDF-OAQYLSRUSA-N -1 1 444.535 3.403 40 0 IGABMM O=C(CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O)N1CCCCC1 ZINC000205811682 569255728 /nfs/dbraw/zinc/25/57/28/569255728.db2.gz AWIXISIJLWMSOE-NTEUORMPSA-N -1 1 425.304 3.204 40 0 IGABMM CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H](C)[C@]23Cc2c(c(C=O)c(CO)cc2[O-])O3)C(C)(C)[C@@H]1O ZINC000252581640 291353172 /nfs/dbraw/zinc/35/31/72/291353172.db2.gz GWNPFKVCTQYFQY-AOSAFVJRSA-N -1 1 446.540 3.146 40 0 biogenic,in-vitro IGABMM COCc1nc(N2CCN(c3ccccc3OC)CC2)[n-]c(=O)c1CCc1ccccc1 ZINC000022448760 523215693 /nfs/dbraw/zinc/21/56/93/523215693.db2.gz ZCJYHZLLMQEPGA-UHFFFAOYSA-N -1 1 434.540 3.037 40 0 IGABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)c1 ZINC000408595241 555961711 /nfs/dbraw/zinc/96/17/11/555961711.db2.gz ULJZUOGDQBEPGC-UHFFFAOYSA-N -1 1 440.521 3.500 40 0 IGABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C ZINC000408612839 555977995 /nfs/dbraw/zinc/97/79/95/555977995.db2.gz YXTDVDSLSSACRQ-UHFFFAOYSA-N -1 1 430.267 3.359 40 0 IGABMM COC(=O)c1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1 ZINC000408633551 556008470 /nfs/dbraw/zinc/00/84/70/556008470.db2.gz NUIGADVLVNCZAR-IUXPMGMMSA-N -1 1 441.465 3.493 40 0 IGABMM COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)NC1=O ZINC000035351975 556080984 /nfs/dbraw/zinc/08/09/84/556080984.db2.gz CQXLIFZWYZDFBU-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)NC1=O ZINC000035351975 556080986 /nfs/dbraw/zinc/08/09/86/556080986.db2.gz CQXLIFZWYZDFBU-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM COc1ccccc1NC(=O)COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=S)NC1=O ZINC000035351975 556080989 /nfs/dbraw/zinc/08/09/89/556080989.db2.gz CQXLIFZWYZDFBU-UHFFFAOYSA-N -1 1 445.884 3.121 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1C(=O)N1CCCCC1 ZINC000408693070 556093133 /nfs/dbraw/zinc/09/31/33/556093133.db2.gz FLHDJBDMKASEFQ-UHFFFAOYSA-N -1 1 431.514 3.081 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1C(=O)N1CCC(C)CC1 ZINC000408705975 556112274 /nfs/dbraw/zinc/11/22/74/556112274.db2.gz RTZDTMDEXYIOOS-UHFFFAOYSA-N -1 1 445.541 3.327 40 0 IGABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828440 556620332 /nfs/dbraw/zinc/62/03/32/556620332.db2.gz LAKMPXNONCXLGI-JKIFEVAISA-N -1 1 439.516 3.000 40 0 IGABMM COc1ccc2nc(C[C@H]3CN(C(=O)COc4ccccc4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288343 556624741 /nfs/dbraw/zinc/62/47/41/556624741.db2.gz ACAMGJRYBQJFGL-IRXDYDNUSA-N -1 1 437.496 3.132 40 0 biogenic,in-vitro IGABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(C)ccc1C)CC(=O)N2 ZINC000040400144 556643079 /nfs/dbraw/zinc/64/30/79/556643079.db2.gz RADCAKHDEBYWPQ-CQSZACIVSA-N -1 1 433.468 3.203 40 0 IGABMM O=C(NC1CCCCC1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400345 556643289 /nfs/dbraw/zinc/64/32/89/556643289.db2.gz FDKKMWGBNORUOZ-CQSZACIVSA-N -1 1 449.433 3.407 40 0 IGABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400399 556643315 /nfs/dbraw/zinc/64/33/15/556643315.db2.gz ZJOMTUYLUGHYAE-OAHLLOKOSA-N -1 1 433.468 3.285 40 0 IGABMM O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019342702 556740270 /nfs/dbraw/zinc/74/02/70/556740270.db2.gz WQVIMUYRSOBUHS-SFHVURJKSA-N -1 1 440.569 3.274 40 0 IGABMM CCC(CC)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1cccs1)CC2 ZINC000019500178 556772078 /nfs/dbraw/zinc/77/20/78/556772078.db2.gz LJVPIYMXPJOHDK-QGZVFWFLSA-N -1 1 428.558 3.130 40 0 IGABMM Cc1cnccc1CN1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3 ZINC000100233857 557251549 /nfs/dbraw/zinc/25/15/49/557251549.db2.gz RSPKSZFFNRGWBX-QFIPXVFZSA-N -1 1 448.571 3.406 40 0 IGABMM COC(=O)c1ccc(NCc2ccncc2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223419091 557469995 /nfs/dbraw/zinc/46/99/95/557469995.db2.gz YQCIKEFJUVMLGA-UHFFFAOYSA-N -1 1 427.482 3.290 40 0 IGABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc4c(cc3OC)CCCC4)n2)cc1 ZINC000223555768 557485432 /nfs/dbraw/zinc/48/54/32/557485432.db2.gz IHFDVTIJTLPNGY-UHFFFAOYSA-N -1 1 429.498 3.111 40 0 IGABMM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000223583449 557488831 /nfs/dbraw/zinc/48/88/31/557488831.db2.gz XKONKKFBXQDSLC-UHFFFAOYSA-N -1 1 429.498 3.284 40 0 IGABMM O=S(=O)(Cc1ccccc1F)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000223650808 557497386 /nfs/dbraw/zinc/49/73/86/557497386.db2.gz CPFMWJVPBGDBKY-UHFFFAOYSA-N -1 1 426.267 3.258 40 0 IGABMM COc1ccc(CCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 ZINC000223981832 557538940 /nfs/dbraw/zinc/53/89/40/557538940.db2.gz DWNDVGBZGZYOGY-UHFFFAOYSA-N -1 1 440.521 3.477 40 0 IGABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2sc1=O ZINC000225104832 557688377 /nfs/dbraw/zinc/68/83/77/557688377.db2.gz ZMRGOLMQWRBATJ-UHFFFAOYSA-N -1 1 431.539 3.319 40 0 IGABMM CS(=O)(=O)c1c[n-]nc1C[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 ZINC000257239597 568683424 /nfs/dbraw/zinc/68/34/24/568683424.db2.gz HQBHRRPKPZKWGI-INIZCTEOSA-N -1 1 433.549 3.245 40 0 IGABMM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 ZINC000257239597 568683426 /nfs/dbraw/zinc/68/34/26/568683426.db2.gz HQBHRRPKPZKWGI-INIZCTEOSA-N -1 1 433.549 3.245 40 0 IGABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)COc4ccccc4)CCO3)n2)s1 ZINC000257239281 568683513 /nfs/dbraw/zinc/68/35/13/568683513.db2.gz HOQVWVYJKURGSD-KRWDZBQOSA-N -1 1 425.514 3.218 40 0 IGABMM CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)Cc4cccc(OC)c4)CCO3)n2)s1 ZINC000257288368 568705925 /nfs/dbraw/zinc/70/59/25/568705925.db2.gz PTYRHENOKIDBSZ-GOSISDBHSA-N -1 1 439.541 3.390 40 0 IGABMM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)c4cccc(OC)c4)CCO3)n2)s1 ZINC000257310209 568715696 /nfs/dbraw/zinc/71/56/96/568715696.db2.gz UEDLAGCJLVKSHM-KRWDZBQOSA-N -1 1 425.514 3.461 40 0 IGABMM CC1(C)CC(=O)c2cnc(NC(=O)CSc3nc(-c4ccccc4)cc(=O)[n-]3)nc2C1 ZINC000020633868 520277973 /nfs/dbraw/zinc/27/79/73/520277973.db2.gz KQVYEBOMLJNAIE-UHFFFAOYSA-N -1 1 435.509 3.113 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)c1ccccc1C ZINC000408558236 555897174 /nfs/dbraw/zinc/89/71/74/555897174.db2.gz PXQMHMXMNHSTBM-UHFFFAOYSA-N -1 1 439.493 3.156 40 0 IGABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCOCC1 ZINC000408562298 555905425 /nfs/dbraw/zinc/90/54/25/555905425.db2.gz YSVRAWHRUNKLAU-UHFFFAOYSA-N -1 1 445.324 3.032 40 0 IGABMM COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1F ZINC000408677169 556071107 /nfs/dbraw/zinc/07/11/07/556071107.db2.gz ARPYZSOANHRONN-UHFFFAOYSA-N -1 1 436.486 3.436 40 0 IGABMM O=C(COc1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000035332015 556079271 /nfs/dbraw/zinc/07/92/71/556079271.db2.gz VBCKPVZASHBJEZ-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM O=C(COc1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000035332015 556079274 /nfs/dbraw/zinc/07/92/74/556079274.db2.gz VBCKPVZASHBJEZ-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM O=C(COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl)Nc1ccc(F)cc1 ZINC000035332015 556079276 /nfs/dbraw/zinc/07/92/76/556079276.db2.gz VBCKPVZASHBJEZ-UHFFFAOYSA-N -1 1 433.848 3.251 40 0 IGABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 ZINC000408705758 556111943 /nfs/dbraw/zinc/11/19/43/556111943.db2.gz MWTQMIFLWFJRBM-UHFFFAOYSA-N -1 1 446.525 3.155 40 0 IGABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NCC)c2)cc1 ZINC000010008944 556321171 /nfs/dbraw/zinc/32/11/71/556321171.db2.gz SFUBMDVIXSOOJQ-UHFFFAOYSA-N -1 1 434.514 3.203 40 0 IGABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)c(C)c1 ZINC000040390757 556637641 /nfs/dbraw/zinc/63/76/41/556637641.db2.gz DPDNQTPMZLBJKE-GOSISDBHSA-N -1 1 443.507 3.014 40 0 IGABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3CC)[n-]c(=O)c21 ZINC000139115037 556721257 /nfs/dbraw/zinc/72/12/57/556721257.db2.gz VXCIMTMSBSQYJU-LSDHHAIUSA-N -1 1 439.516 3.002 40 0 IGABMM CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019499857 556771769 /nfs/dbraw/zinc/77/17/69/556771769.db2.gz WNCQZTJKBHTDSW-SUMWQHHRSA-N -1 1 428.558 3.048 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1N1CCCC1=O ZINC000216408239 557145473 /nfs/dbraw/zinc/14/54/73/557145473.db2.gz COZDQPMSTZSDSA-UHFFFAOYSA-N -1 1 425.304 3.385 40 0 IGABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000010112238 557204755 /nfs/dbraw/zinc/20/47/55/557204755.db2.gz QPNARXQHQBUVFN-UHFFFAOYSA-N -1 1 446.525 3.299 40 0 IGABMM CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233690 557251010 /nfs/dbraw/zinc/25/10/10/557251010.db2.gz NXDSENOAJOHQGS-PKOBYXMFSA-N -1 1 448.571 3.140 40 0 IGABMM COc1cccc(CN2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)=O)CC4)c1 ZINC000100242927 557254875 /nfs/dbraw/zinc/25/48/75/557254875.db2.gz BLSFWKYZVFULEQ-JOCHJYFZSA-N -1 1 435.528 3.075 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1F ZINC000032587943 557806282 /nfs/dbraw/zinc/80/62/82/557806282.db2.gz GEGWUMRRAFNKGI-UHFFFAOYSA-N -1 1 442.534 3.200 40 0 IGABMM CS(=O)(=O)c1c[n-]nc1C[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 ZINC000257239598 568683506 /nfs/dbraw/zinc/68/35/06/568683506.db2.gz HQBHRRPKPZKWGI-MRXNPFEDSA-N -1 1 433.549 3.245 40 0 IGABMM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 ZINC000257239598 568683507 /nfs/dbraw/zinc/68/35/07/568683507.db2.gz HQBHRRPKPZKWGI-MRXNPFEDSA-N -1 1 433.549 3.245 40 0 IGABMM CO[C@H]1c2c([O-])c(C(=O)NCCc3ccccn3)ccc2O[C@@H]2C[C@H]3C[C@H](C3(C)C)[C@@]21O ZINC000257244253 568685821 /nfs/dbraw/zinc/68/58/21/568685821.db2.gz IKOBUCIQLZKKTP-YFQPGXIDSA-N -1 1 438.524 3.005 40 0 IGABMM Cc1nnc([N-]c2cccc([C@@H]3CN(CC(=O)Nc4ccccc4F)CCO3)n2)s1 ZINC000257325802 568722842 /nfs/dbraw/zinc/72/28/42/568722842.db2.gz WUMQLMUODVFJGT-KRWDZBQOSA-N -1 1 428.493 3.136 40 0 IGABMM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000253590654 569208762 /nfs/dbraw/zinc/20/87/62/569208762.db2.gz DBZUUQWHTJEADB-SYNHAJSKSA-N -1 1 426.561 3.357 40 0 IGABMM CCN(CC)c1ccc([C@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000009408873 569295998 /nfs/dbraw/zinc/29/59/98/569295998.db2.gz QCRWDEYAJVFLBJ-RZPFDVGOSA-N -1 1 449.551 3.348 40 0 IGABMM Cc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)COCC(=O)[O-])C=C3C)[nH]c2c1 ZINC000072320922 291354691 /nfs/dbraw/zinc/35/46/91/291354691.db2.gz KGFUAPPNWODNEN-FHWLQOOXSA-N -1 1 427.545 3.486 40 0 biogenic,in-vitro IGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H]3COc4ccccc4O3)c2)cc1 ZINC000023155879 525613296 /nfs/dbraw/zinc/61/32/96/525613296.db2.gz DFHCFDWJWYLPMD-IBGZPJMESA-N -1 1 438.505 3.366 40 0 IGABMM COC(=O)C1CCN(C(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000010112596 556326322 /nfs/dbraw/zinc/32/63/22/556326322.db2.gz MIZZBZQGGPWWCZ-UHFFFAOYSA-N -1 1 430.526 3.129 40 0 IGABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1C ZINC000040390711 556637589 /nfs/dbraw/zinc/63/75/89/556637589.db2.gz GEQGSMIYECTDTF-LJQANCHMSA-N -1 1 443.507 3.014 40 0 IGABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000040399820 556642312 /nfs/dbraw/zinc/64/23/12/556642312.db2.gz HIVKKXYTQGWNII-INIZCTEOSA-N -1 1 433.468 3.203 40 0 IGABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(C)cc3)[n-]c(=O)c21 ZINC000040400501 556643350 /nfs/dbraw/zinc/64/33/50/556643350.db2.gz MCWHRLVVOXJQJM-OAHLLOKOSA-N -1 1 433.468 3.203 40 0 IGABMM CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400409 556643417 /nfs/dbraw/zinc/64/34/17/556643417.db2.gz AGGDAYOIEVPGRY-QGZVFWFLSA-N -1 1 431.452 3.089 40 0 IGABMM CSCC[C@@H](NC(=O)c1cc(C(C)(C)C)nn1C)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019083790 556698177 /nfs/dbraw/zinc/69/81/77/556698177.db2.gz SNTKHEVQHYHZFT-CQSZACIVSA-N -1 1 440.573 3.499 40 0 IGABMM CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCCC1)CC2 ZINC000019499850 556771779 /nfs/dbraw/zinc/77/17/79/556771779.db2.gz QQXLVYYSHIHKJT-UZLBHIALSA-N -1 1 428.577 3.335 40 0 IGABMM CCC(CC)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019500176 556772113 /nfs/dbraw/zinc/77/21/13/556772113.db2.gz CWXRTDPBNLXSMM-GOSISDBHSA-N -1 1 442.585 3.438 40 0 IGABMM CCc1[nH]nc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)c1C ZINC000019520978 556777621 /nfs/dbraw/zinc/77/76/21/556777621.db2.gz BZJLHFAKOPBRIY-FQEVSTJZSA-N -1 1 428.496 3.140 40 0 IGABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3CC)[n-]c(=O)c21 ZINC000040390556 556815352 /nfs/dbraw/zinc/81/53/52/556815352.db2.gz VXCIMTMSBSQYJU-CABCVRRESA-N -1 1 439.516 3.002 40 0 IGABMM COC(=O)C1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)CC1 ZINC000020035197 556969961 /nfs/dbraw/zinc/96/99/61/556969961.db2.gz PPXWFMQACQSQDZ-UHFFFAOYSA-N -1 1 436.917 3.166 40 0 IGABMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1Cl ZINC000409223498 557017730 /nfs/dbraw/zinc/01/77/30/557017730.db2.gz GADGWYIEVVVLKF-UHFFFAOYSA-N -1 1 434.695 3.455 40 0 IGABMM COc1c(C)cccc1CN1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(C)=O)CC3 ZINC000100243145 557255254 /nfs/dbraw/zinc/25/52/54/557255254.db2.gz RMHPYDJISQPTPP-QFIPXVFZSA-N -1 1 449.555 3.384 40 0 IGABMM O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(=O)[n-]c(SCc3ccccc3F)nc2N1 ZINC000013567434 557346362 /nfs/dbraw/zinc/34/63/62/557346362.db2.gz MUNBXNWHTXBGOQ-CYBMUJFWSA-N -1 1 425.441 3.404 40 0 IGABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000026117004 557447930 /nfs/dbraw/zinc/44/79/30/557447930.db2.gz MSLITZMSKKXVDX-UHFFFAOYSA-N -1 1 426.947 3.335 40 0 IGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)cc1OC ZINC000223990321 557540505 /nfs/dbraw/zinc/54/05/05/557540505.db2.gz QWLNZIQIWINUBR-GMBSWORKSA-N -1 1 430.526 3.423 40 0 IGABMM CCOCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224071935 557555248 /nfs/dbraw/zinc/55/52/48/557555248.db2.gz JMAVRJFXVZWHMX-UHFFFAOYSA-N -1 1 426.922 3.306 40 0 IGABMM COc1ccccc1[C@H]1NC(=O)N[C@](O)(C(F)(F)F)C1=C([O-])c1ccc(Cl)cc1 ZINC000027795102 557583128 /nfs/dbraw/zinc/58/31/28/557583128.db2.gz FBCMKBNRAJGVFT-HDMKZQKVSA-N -1 1 428.794 3.453 40 0 IGABMM CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000028493210 557714349 /nfs/dbraw/zinc/71/43/49/557714349.db2.gz XNAHLDYMEVJJPK-UHFFFAOYSA-N -1 1 445.541 3.019 40 0 IGABMM CCOc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000033710926 569245966 /nfs/dbraw/zinc/24/59/66/569245966.db2.gz WJVNZGLSQJPTSU-UHFFFAOYSA-N -1 1 427.438 3.327 40 0 IGABMM CCOc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000033710926 569245967 /nfs/dbraw/zinc/24/59/67/569245967.db2.gz WJVNZGLSQJPTSU-UHFFFAOYSA-N -1 1 427.438 3.327 40 0 IGABMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000033710926 569245968 /nfs/dbraw/zinc/24/59/68/569245968.db2.gz WJVNZGLSQJPTSU-UHFFFAOYSA-N -1 1 427.438 3.327 40 0 IGABMM