smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000104346132 570899676 /nfs/dbraw/zinc/89/96/76/570899676.db2.gz DKQMUIFAFMNPOJ-OAHLLOKOSA-N 1 2 375.381 1.374 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 ZINC000250665634 570902522 /nfs/dbraw/zinc/90/25/22/570902522.db2.gz ICKOVDBYNHSSOD-CJNGLKHVSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 ZINC000250665634 570902525 /nfs/dbraw/zinc/90/25/25/570902525.db2.gz ICKOVDBYNHSSOD-CJNGLKHVSA-N 1 2 389.408 1.810 40 5 GDBBLO Cn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409144171 534708179 /nfs/dbraw/zinc/70/81/79/534708179.db2.gz NJMMSCFFFDVYRF-UHFFFAOYSA-N 1 2 376.442 1.256 40 5 GDBBLO Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000104346176 570899638 /nfs/dbraw/zinc/89/96/38/570899638.db2.gz CNOXWDSACJOSBL-OAHLLOKOSA-N 1 2 375.381 1.374 40 5 GDBBLO O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000017333480 570969603 /nfs/dbraw/zinc/96/96/03/570969603.db2.gz IQFKVBTUBVQRKR-UHFFFAOYSA-N 1 2 391.449 1.906 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000250666773 570902273 /nfs/dbraw/zinc/90/22/73/570902273.db2.gz IXDQKWALENFNJD-DOMZBBRYSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000250666773 570902275 /nfs/dbraw/zinc/90/22/75/570902275.db2.gz IXDQKWALENFNJD-DOMZBBRYSA-N 1 2 375.381 1.502 40 5 GDBBLO O=[N+]([O-])c1ccc(CNc2cc(-c3cccnc3)[nH+]c(NCCCO)n2)cc1 ZINC000329040776 203770509 /nfs/dbraw/zinc/77/05/09/203770509.db2.gz SFIUCWCXAHPOHJ-UHFFFAOYSA-N 1 2 380.408 1.697 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000250666774 570902479 /nfs/dbraw/zinc/90/24/79/570902479.db2.gz IXDQKWALENFNJD-WFASDCNBSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000250666774 570902481 /nfs/dbraw/zinc/90/24/81/570902481.db2.gz IXDQKWALENFNJD-WFASDCNBSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3C)C2=O)C1 ZINC000250664989 570902512 /nfs/dbraw/zinc/90/25/12/570902512.db2.gz HQKBEVXARWHRKB-CJNGLKHVSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3C)C2=O)C1 ZINC000250664989 570902515 /nfs/dbraw/zinc/90/25/15/570902515.db2.gz HQKBEVXARWHRKB-CJNGLKHVSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3C)C2=O)C1 ZINC000014607429 570893124 /nfs/dbraw/zinc/89/31/24/570893124.db2.gz HQKBEVXARWHRKB-XJKSGUPXSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3C)C2=O)C1 ZINC000014607429 570893127 /nfs/dbraw/zinc/89/31/27/570893127.db2.gz HQKBEVXARWHRKB-XJKSGUPXSA-N 1 2 389.408 1.810 40 5 GDBBLO O=[N+]([O-])c1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NCCCO)n1 ZINC000328992461 203769118 /nfs/dbraw/zinc/76/91/18/203769118.db2.gz IVBKGTZWROQRPG-UHFFFAOYSA-N 1 2 380.408 1.697 40 5 GDBBLO O=[N+]([O-])c1ccc(C[N@H+](CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575420699 570307980 /nfs/dbraw/zinc/30/79/80/570307980.db2.gz JFSROQCWICRSPJ-SFHVURJKSA-N 1 2 397.497 1.306 40 5 GDBBLO O=[N+]([O-])c1ccc(C[N@@H+](CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575420699 570307982 /nfs/dbraw/zinc/30/79/82/570307982.db2.gz JFSROQCWICRSPJ-SFHVURJKSA-N 1 2 397.497 1.306 40 5 GDBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H]([N@@H+]2CCCC[C@H]2CCO)C1=O ZINC000250286819 570900075 /nfs/dbraw/zinc/90/00/75/570900075.db2.gz VLBRCCBSMWEZIQ-SWLSCSKDSA-N 1 2 377.397 1.472 40 5 GDBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H]([N@H+]2CCCC[C@H]2CCO)C1=O ZINC000250286819 570900076 /nfs/dbraw/zinc/90/00/76/570900076.db2.gz VLBRCCBSMWEZIQ-SWLSCSKDSA-N 1 2 377.397 1.472 40 5 GDBBLO O=C(Nc1ccccc1C(=O)NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000408614282 231080979 /nfs/dbraw/zinc/08/09/79/231080979.db2.gz AMJWZRIMJVAIAR-UHFFFAOYSA-N 1 2 398.419 1.909 40 5 GDBBLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000104278546 570898886 /nfs/dbraw/zinc/89/88/86/570898886.db2.gz FWCMNEXYOXBNFP-OAHLLOKOSA-N 1 2 375.381 1.502 40 5 GDBBLO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1[N+](=O)[O-] ZINC000104346096 570899643 /nfs/dbraw/zinc/89/96/43/570899643.db2.gz HJGRZICYUYMDAX-OAHLLOKOSA-N 1 2 375.381 1.374 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)C1 ZINC000250674973 570902388 /nfs/dbraw/zinc/90/23/88/570902388.db2.gz PCXQYXMRQBGWBN-BBRMVZONSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)C1 ZINC000250674973 570902391 /nfs/dbraw/zinc/90/23/91/570902391.db2.gz PCXQYXMRQBGWBN-BBRMVZONSA-N 1 2 389.408 1.810 40 5 GDBBLO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1[N+](=O)[O-] ZINC000020634509 207209508 /nfs/dbraw/zinc/20/95/08/207209508.db2.gz HJGRZICYUYMDAX-HNNXBMFYSA-N 1 2 375.381 1.374 40 5 GDBBLO O=[N+]([O-])c1cc2nn3c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[nH][n+]3c2c([N+](=O)[O-])c1 ZINC000100630541 208378385 /nfs/dbraw/zinc/37/83/85/208378385.db2.gz SZYKTGYJJNXJEM-UHFFFAOYSA-N 1 2 389.220 1.187 40 5 GDBBLO C[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)[nH+]1 ZINC000328980375 206239661 /nfs/dbraw/zinc/23/96/61/206239661.db2.gz GLVYSQSWALVZSD-ZDUSSCGKSA-N 1 2 380.408 1.695 40 5 GDBBLO CCCCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000019593876 207142978 /nfs/dbraw/zinc/14/29/78/207142978.db2.gz ZWQULUKBCSERSP-UHFFFAOYSA-N 1 2 396.400 1.574 40 5 GDBBLO Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC[NH+]1CCOCC1 ZINC000026099061 207308663 /nfs/dbraw/zinc/30/86/63/207308663.db2.gz UTCQJIARZVIXEF-UHFFFAOYSA-N 1 2 379.442 1.727 40 5 GDBBLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)CC1 ZINC000096301125 208304235 /nfs/dbraw/zinc/30/42/35/208304235.db2.gz GJLLVCMJHUJNAK-INIZCTEOSA-N 1 2 389.408 1.810 40 5 GDBBLO O=[N+]([O-])c1ccc(C[N@H+](CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575420698 570308041 /nfs/dbraw/zinc/30/80/41/570308041.db2.gz JFSROQCWICRSPJ-GOSISDBHSA-N 1 2 397.497 1.306 40 5 GDBBLO O=[N+]([O-])c1ccc(C[N@@H+](CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575420698 570308044 /nfs/dbraw/zinc/30/80/44/570308044.db2.gz JFSROQCWICRSPJ-GOSISDBHSA-N 1 2 397.497 1.306 40 5 GDBBLO Cc1c(O)c(C=O)c2nc3c(O)ccc(C(=O)NCC[NH+](C)C)c3nc2c1O ZINC000033849264 570529777 /nfs/dbraw/zinc/52/97/77/570529777.db2.gz ZTPXMMNUQMFHLZ-UHFFFAOYSA-N 1 2 384.392 1.312 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000250668367 570902488 /nfs/dbraw/zinc/90/24/88/570902488.db2.gz KBTHNUZDYJSDRQ-DOMZBBRYSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000250668367 570902489 /nfs/dbraw/zinc/90/24/89/570902489.db2.gz KBTHNUZDYJSDRQ-DOMZBBRYSA-N 1 2 375.381 1.502 40 5 GDBBLO O=[N+]([O-])c1ccc(CNc2cc(-c3ccncc3)[nH+]c(NCCCO)n2)cc1 ZINC000329030384 206243257 /nfs/dbraw/zinc/24/32/57/206243257.db2.gz QEGFXLAEBFHGAL-UHFFFAOYSA-N 1 2 380.408 1.697 40 5 GDBBLO CCNC(=O)NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccc([N+](=O)[O-])s3)C2)O1 ZINC000306129380 209099573 /nfs/dbraw/zinc/09/95/73/209099573.db2.gz IBPRGQRPBQJNOO-GUYCJALGSA-N 1 2 398.485 1.725 40 5 GDBBLO CCNC(=O)NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccc([N+](=O)[O-])s3)C2)O1 ZINC000306129380 209099575 /nfs/dbraw/zinc/09/95/75/209099575.db2.gz IBPRGQRPBQJNOO-GUYCJALGSA-N 1 2 398.485 1.725 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000014607408 570319881 /nfs/dbraw/zinc/31/98/81/570319881.db2.gz KBTHNUZDYJSDRQ-SWLSCSKDSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000014607408 570319885 /nfs/dbraw/zinc/31/98/85/570319885.db2.gz KBTHNUZDYJSDRQ-SWLSCSKDSA-N 1 2 375.381 1.502 40 5 GDBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H]([N@@H+]2CCCC[C@@H]2CCO)C1=O ZINC000017077170 570926080 /nfs/dbraw/zinc/92/60/80/570926080.db2.gz VLBRCCBSMWEZIQ-IUODEOHRSA-N 1 2 377.397 1.472 40 5 GDBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H]([N@H+]2CCCC[C@@H]2CCO)C1=O ZINC000017077170 570926082 /nfs/dbraw/zinc/92/60/82/570926082.db2.gz VLBRCCBSMWEZIQ-IUODEOHRSA-N 1 2 377.397 1.472 40 5 GDBBLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)CC1 ZINC000020798718 207214452 /nfs/dbraw/zinc/21/44/52/207214452.db2.gz GJLLVCMJHUJNAK-MRXNPFEDSA-N 1 2 389.408 1.810 40 5 GDBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H]([N@@H+]2CCCC[C@H]2CCO)C1=O ZINC000250286825 570900102 /nfs/dbraw/zinc/90/01/02/570900102.db2.gz VLBRCCBSMWEZIQ-WFASDCNBSA-N 1 2 377.397 1.472 40 5 GDBBLO COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H]([N@H+]2CCCC[C@H]2CCO)C1=O ZINC000250286825 570900103 /nfs/dbraw/zinc/90/01/03/570900103.db2.gz VLBRCCBSMWEZIQ-WFASDCNBSA-N 1 2 377.397 1.472 40 5 GDBBLO Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000020634531 207208359 /nfs/dbraw/zinc/20/83/59/207208359.db2.gz DKQMUIFAFMNPOJ-HNNXBMFYSA-N 1 2 375.381 1.374 40 5 GDBBLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000020634586 207208680 /nfs/dbraw/zinc/20/86/80/207208680.db2.gz BWAVVCVXCIJUNH-HNNXBMFYSA-N 1 2 375.381 1.502 40 5 GDBBLO O=c1nc2n(C[C@H](O)C[NH+]3CCCCC3)c3cc(Cl)ccc3nc-2c(=O)[nH]1 ZINC000008615534 570535509 /nfs/dbraw/zinc/53/55/09/570535509.db2.gz FUNLZKPQVPPYAW-GFCCVEGCSA-N 1 2 389.843 1.085 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 ZINC000250665630 570902366 /nfs/dbraw/zinc/90/23/66/570902366.db2.gz ICKOVDBYNHSSOD-BBRMVZONSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 ZINC000250665630 570902370 /nfs/dbraw/zinc/90/23/70/570902370.db2.gz ICKOVDBYNHSSOD-BBRMVZONSA-N 1 2 389.408 1.810 40 5 GDBBLO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@H+](Cc3ccc([N+](=O)[O-])s3)C2)O1 ZINC000306129379 212047133 /nfs/dbraw/zinc/04/71/33/212047133.db2.gz IBPRGQRPBQJNOO-DYVFJYSZSA-N 1 2 398.485 1.725 40 5 GDBBLO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc([N+](=O)[O-])s3)C2)O1 ZINC000306129379 212047140 /nfs/dbraw/zinc/04/71/40/212047140.db2.gz IBPRGQRPBQJNOO-DYVFJYSZSA-N 1 2 398.485 1.725 40 5 GDBBLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)CC1 ZINC000102241952 570843586 /nfs/dbraw/zinc/84/35/86/570843586.db2.gz QGPOHULWFLPQSG-INIZCTEOSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000104346196 570899630 /nfs/dbraw/zinc/89/96/30/570899630.db2.gz BWAVVCVXCIJUNH-OAHLLOKOSA-N 1 2 375.381 1.502 40 5 GDBBLO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccc([N+](=O)[O-])s3)C2)O1 ZINC000306129381 212047308 /nfs/dbraw/zinc/04/73/08/212047308.db2.gz IBPRGQRPBQJNOO-SUMWQHHRSA-N 1 2 398.485 1.725 40 5 GDBBLO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc([N+](=O)[O-])s3)C2)O1 ZINC000306129381 212047309 /nfs/dbraw/zinc/04/73/09/212047309.db2.gz IBPRGQRPBQJNOO-SUMWQHHRSA-N 1 2 398.485 1.725 40 5 GDBBLO O=[N+]([O-])c1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NCCCO)n1 ZINC000328993205 209155646 /nfs/dbraw/zinc/15/56/46/209155646.db2.gz IZXNLXZHTOHLQK-UHFFFAOYSA-N 1 2 380.408 1.697 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000017076761 570926186 /nfs/dbraw/zinc/92/61/86/570926186.db2.gz IXDQKWALENFNJD-SWLSCSKDSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000017076761 570926187 /nfs/dbraw/zinc/92/61/87/570926187.db2.gz IXDQKWALENFNJD-SWLSCSKDSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 ZINC000054670808 570994091 /nfs/dbraw/zinc/99/40/91/570994091.db2.gz ICKOVDBYNHSSOD-XJKSGUPXSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)C1 ZINC000054670808 570994095 /nfs/dbraw/zinc/99/40/95/570994095.db2.gz ICKOVDBYNHSSOD-XJKSGUPXSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000017076760 570925768 /nfs/dbraw/zinc/92/57/68/570925768.db2.gz IXDQKWALENFNJD-IUODEOHRSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000017076760 570925772 /nfs/dbraw/zinc/92/57/72/570925772.db2.gz IXDQKWALENFNJD-IUODEOHRSA-N 1 2 375.381 1.502 40 5 GDBBLO C[C@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)[nH+]1 ZINC000328971267 209153432 /nfs/dbraw/zinc/15/34/32/209153432.db2.gz DPKGGWPHOIOYNT-CYBMUJFWSA-N 1 2 380.408 1.695 40 5 GDBBLO Cc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000020634561 210353790 /nfs/dbraw/zinc/35/37/90/210353790.db2.gz CNOXWDSACJOSBL-HNNXBMFYSA-N 1 2 375.381 1.374 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)C1 ZINC000014607423 221313065 /nfs/dbraw/zinc/31/30/65/221313065.db2.gz PCXQYXMRQBGWBN-XJKSGUPXSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)C1 ZINC000014607423 221313067 /nfs/dbraw/zinc/31/30/67/221313067.db2.gz PCXQYXMRQBGWBN-XJKSGUPXSA-N 1 2 389.408 1.810 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000250668371 570902240 /nfs/dbraw/zinc/90/22/40/570902240.db2.gz KBTHNUZDYJSDRQ-WFASDCNBSA-N 1 2 375.381 1.502 40 5 GDBBLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000250668371 570902243 /nfs/dbraw/zinc/90/22/43/570902243.db2.gz KBTHNUZDYJSDRQ-WFASDCNBSA-N 1 2 375.381 1.502 40 5 GDBBLO 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ZINC000001676957 212254453 /nfs/dbraw/zinc/25/44/53/212254453.db2.gz OGQZUNHWLFBGNL-UHFFFAOYSA-N 1 2 375.816 1.342 40 5 GDBBLO COCCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000057670038 570367466 /nfs/dbraw/zinc/36/74/66/570367466.db2.gz VSZRKQVLTJTRRN-KRWDZBQOSA-N 1 2 389.460 1.747 40 5 GDBBLO CCCCn1ccc2nc3ccn(CC[NH+]4CCOCC4)c(=O)c3cc2c1=O ZINC000038829432 570584069 /nfs/dbraw/zinc/58/40/69/570584069.db2.gz MPMXZHDTXCNLRF-UHFFFAOYSA-N 1 2 382.464 1.844 40 5 GDBBLO O=c1nc2n(C[C@@H](O)C[NH+]3CCCCC3)c3cc(Cl)ccc3nc-2c(=O)[nH]1 ZINC000001670972 212253545 /nfs/dbraw/zinc/25/35/45/212253545.db2.gz FUNLZKPQVPPYAW-LBPRGKRZSA-N 1 2 389.843 1.085 40 5 GDBBLO C[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)[nH+]1 ZINC000328971268 212089996 /nfs/dbraw/zinc/08/99/96/212089996.db2.gz DPKGGWPHOIOYNT-ZDUSSCGKSA-N 1 2 380.408 1.695 40 5 GDBBLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000013636632 221277715 /nfs/dbraw/zinc/27/77/15/221277715.db2.gz 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