smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)ncc1[N+](=O)[O-] ZINC001164694375 719807193 /nfs/dbraw/zinc/80/71/93/719807193.db2.gz WKRBSIWFQSNZKB-UHFFFAOYSA-N 0 1 403.508 3.398 20 5 HGBDMN CSc1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164723116 720392803 /nfs/dbraw/zinc/39/28/03/720392803.db2.gz GEVJFVFJDNRLPC-CHWSQXEVSA-N 0 1 406.899 3.008 20 5 HGBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868403 721067202 /nfs/dbraw/zinc/06/72/02/721067202.db2.gz OIKJWWMIJQFPLO-KGLIPLIRSA-N 0 1 424.288 3.171 20 5 HGBDMN Cc1cc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164897164 721525978 /nfs/dbraw/zinc/52/59/78/721525978.db2.gz DUJRGADPAOSOMR-HOCLYGCPSA-N 0 1 406.845 3.433 20 5 HGBDMN Cc1cc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl ZINC001164897161 721526412 /nfs/dbraw/zinc/52/64/12/721526412.db2.gz DUJRGADPAOSOMR-GOEBONIOSA-N 0 1 406.845 3.433 20 5 HGBDMN COc1nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)ccc1[N+](=O)[O-] ZINC001164939829 721923118 /nfs/dbraw/zinc/92/31/18/721923118.db2.gz NTRSNLDDDTZAQM-UHFFFAOYSA-N 0 1 412.490 3.178 20 5 HGBDMN Cc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164973906 722109254 /nfs/dbraw/zinc/10/92/54/722109254.db2.gz HXJUEPCSPLXEIA-IAGOWNOFSA-N 0 1 417.897 3.074 20 5 HGBDMN C[C@@H]1CCc2nc(C[NH2+][C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])sc2C1 ZINC000426735561 1126084687 /nfs/dbraw/zinc/08/46/87/1126084687.db2.gz UJJAJGVTWNXTQV-DIFFPNOSSA-N 0 1 414.487 3.443 20 5 HGBDMN COc1ccc(C[C@](C)(CO)NCc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC001176586789 1126149422 /nfs/dbraw/zinc/14/94/22/1126149422.db2.gz FAZFCXKWFIWTJK-GOSISDBHSA-N 0 1 409.280 3.449 20 5 HGBDMN CN1CCO[C@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001164669351 719485186 /nfs/dbraw/zinc/48/51/86/719485186.db2.gz SWANJRMFHHFCNV-UNMCSNQZSA-N 0 1 420.469 3.241 20 5 HGBDMN COc1cnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC001164691956 719807810 /nfs/dbraw/zinc/80/78/10/719807810.db2.gz BPGRNABOQZDTTE-UHFFFAOYSA-N 0 1 403.508 3.398 20 5 HGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001165019384 721838926 /nfs/dbraw/zinc/83/89/26/721838926.db2.gz FKFZXJVRCOQDJP-UHFFFAOYSA-N 0 1 404.442 3.247 20 5 HGBDMN Cc1ccc(CN2CCOC3(CCN(c4ncc(F)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164941044 721922583 /nfs/dbraw/zinc/92/25/83/721922583.db2.gz ZOOFWRFPFAMWDF-UHFFFAOYSA-N 0 1 400.454 3.309 20 5 HGBDMN Cc1ccc(CN2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4F)CC3)C2)cc1 ZINC001164938996 721924604 /nfs/dbraw/zinc/92/46/04/721924604.db2.gz GGNCSXVJQPJPAK-UHFFFAOYSA-N 0 1 400.454 3.309 20 5 HGBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994347 722213770 /nfs/dbraw/zinc/21/37/70/722213770.db2.gz AWKAVVKGBHRTSU-NRFANRHFSA-N 0 1 414.437 3.160 20 5 HGBDMN Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4OCCN(C)[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164669203 719444889 /nfs/dbraw/zinc/44/48/89/719444889.db2.gz LEMOYKFDOIEQCY-IRXDYDNUSA-N 0 1 411.487 3.094 20 5 HGBDMN Cc1ccc(-c2nc3sccc3c(N3C[C@H]4OCCN(C)[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164669202 719445763 /nfs/dbraw/zinc/44/57/63/719445763.db2.gz LEMOYKFDOIEQCY-IAGOWNOFSA-N 0 1 411.487 3.094 20 5 HGBDMN CN1CCO[C@@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001164669349 719486312 /nfs/dbraw/zinc/48/63/12/719486312.db2.gz SWANJRMFHHFCNV-RBBKRZOGSA-N 0 1 420.469 3.241 20 5 HGBDMN Cc1nc(CN2CCCC23CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC3)cs1 ZINC001164691974 719806387 /nfs/dbraw/zinc/80/63/87/719806387.db2.gz DANZHQWEDXMNCR-UHFFFAOYSA-N 0 1 418.479 3.298 20 5 HGBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868405 721067635 /nfs/dbraw/zinc/06/76/35/721067635.db2.gz OIKJWWMIJQFPLO-UONOGXRCSA-N 0 1 424.288 3.171 20 5 HGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867486 721081814 /nfs/dbraw/zinc/08/18/14/721081814.db2.gz YNAUUXMXMRRBQS-KBPBESRZSA-N 0 1 424.288 3.171 20 5 HGBDMN Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900072 721525467 /nfs/dbraw/zinc/52/54/67/721525467.db2.gz NSWVFEKWCGCFFM-GOEBONIOSA-N 0 1 406.845 3.433 20 5 HGBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907804 721527051 /nfs/dbraw/zinc/52/70/51/721527051.db2.gz OPIPRHVFTMQAKZ-HOCLYGCPSA-N 0 1 406.845 3.433 20 5 HGBDMN Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164907993 721585063 /nfs/dbraw/zinc/58/50/63/721585063.db2.gz XTOHMXQQVLCBGQ-LJQANCHMSA-N 0 1 403.433 3.431 20 5 HGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001165019260 721840208 /nfs/dbraw/zinc/84/02/08/721840208.db2.gz BRDHJRWCPZVZMX-UHFFFAOYSA-N 0 1 416.478 3.116 20 5 HGBDMN Cc1cc([N+](=O)[O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979150 722109510 /nfs/dbraw/zinc/10/95/10/722109510.db2.gz PFMAAFHPASJIKT-FUHWJXTLSA-N 0 1 417.897 3.074 20 5 HGBDMN O=C([O-])[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123269529 939818382 /nfs/dbraw/zinc/81/83/82/939818382.db2.gz ZICZQUFPENMFKR-FQEVSTJZSA-N 0 1 417.849 3.097 20 5 HGBDMN CN1CCO[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001164667775 719393905 /nfs/dbraw/zinc/39/39/05/719393905.db2.gz PJBGUMQZOHUOGZ-WBVHZDCISA-N 0 1 408.817 3.094 20 5 HGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867487 721082272 /nfs/dbraw/zinc/08/22/72/721082272.db2.gz YNAUUXMXMRRBQS-KGLIPLIRSA-N 0 1 424.288 3.171 20 5 HGBDMN C[C@@H]1CCc2nc(C[NH2+][C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])sc2C1 ZINC000426735563 1126084753 /nfs/dbraw/zinc/08/47/53/1126084753.db2.gz UJJAJGVTWNXTQV-PIGZYNQJSA-N 0 1 414.487 3.443 20 5 HGBDMN CN1CCO[C@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001164667773 719394211 /nfs/dbraw/zinc/39/42/11/719394211.db2.gz PJBGUMQZOHUOGZ-RDJZCZTQSA-N 0 1 408.817 3.094 20 5 HGBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164726601 720359204 /nfs/dbraw/zinc/35/92/04/720359204.db2.gz PYZOYUPJWRODEJ-IAGOWNOFSA-N 0 1 410.865 3.440 20 5 HGBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907806 721526907 /nfs/dbraw/zinc/52/69/07/721526907.db2.gz OPIPRHVFTMQAKZ-ZBFHGGJFSA-N 0 1 406.845 3.433 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]12 ZINC001164800593 721550618 /nfs/dbraw/zinc/55/06/18/721550618.db2.gz CNTIMZRTBPGIQX-MQSCRBSSSA-N 0 1 419.485 3.406 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@@H]12 ZINC001164811969 721590331 /nfs/dbraw/zinc/59/03/31/721590331.db2.gz ZFQTVWDTSBLJTG-BHDDXSALSA-N 0 1 419.485 3.406 20 5 HGBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960498 722052609 /nfs/dbraw/zinc/05/26/09/722052609.db2.gz PWQBEBQUYNTSFD-UHFFFAOYSA-N 0 1 417.897 3.157 20 5 HGBDMN Cc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164973903 722109296 /nfs/dbraw/zinc/10/92/96/722109296.db2.gz HXJUEPCSPLXEIA-DLBZAZTESA-N 0 1 417.897 3.074 20 5 HGBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982628 722130603 /nfs/dbraw/zinc/13/06/03/722130603.db2.gz RUXFIHCWNKOXLI-SIKLNZKXSA-N 0 1 419.485 3.265 20 5 HGBDMN CN1CCO[C@@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001164667769 719394433 /nfs/dbraw/zinc/39/44/33/719394433.db2.gz PJBGUMQZOHUOGZ-DOTOQJQBSA-N 0 1 408.817 3.094 20 5 HGBDMN Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900071 721525394 /nfs/dbraw/zinc/52/53/94/721525394.db2.gz NSWVFEKWCGCFFM-GDBMZVCRSA-N 0 1 406.845 3.433 20 5 HGBDMN Cc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164973911 722109004 /nfs/dbraw/zinc/10/90/04/722109004.db2.gz HXJUEPCSPLXEIA-SJORKVTESA-N 0 1 417.897 3.074 20 5 HGBDMN CN1CCO[C@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001164669348 719485134 /nfs/dbraw/zinc/48/51/34/719485134.db2.gz SWANJRMFHHFCNV-IRLDBZIGSA-N 0 1 420.469 3.241 20 5 HGBDMN CSc1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164723125 720392328 /nfs/dbraw/zinc/39/23/28/720392328.db2.gz GEVJFVFJDNRLPC-STQMWFEESA-N 0 1 406.899 3.008 20 5 HGBDMN CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164723119 720392395 /nfs/dbraw/zinc/39/23/95/720392395.db2.gz GEVJFVFJDNRLPC-OLZOCXBDSA-N 0 1 406.899 3.008 20 5 HGBDMN CC(C)Oc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164858777 721008198 /nfs/dbraw/zinc/00/81/98/721008198.db2.gz GSHFUHILNFUWLE-HNNXBMFYSA-N 0 1 402.499 3.395 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)[C@@H]2CCCO[C@H]12 ZINC001164800598 721551027 /nfs/dbraw/zinc/55/10/27/721551027.db2.gz CNTIMZRTBPGIQX-XPNTWCBSSA-N 0 1 419.485 3.406 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@H]12 ZINC001164811972 721590380 /nfs/dbraw/zinc/59/03/80/721590380.db2.gz ZFQTVWDTSBLJTG-VSKRKVRLSA-N 0 1 419.485 3.406 20 5 HGBDMN Cc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164973909 722109290 /nfs/dbraw/zinc/10/92/90/722109290.db2.gz HXJUEPCSPLXEIA-IRXDYDNUSA-N 0 1 417.897 3.074 20 5 HGBDMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)ncc2[N+](=O)[O-])CC3)cs1 ZINC001164693461 719803773 /nfs/dbraw/zinc/80/37/73/719803773.db2.gz SZYZPXFSZTWHRP-UHFFFAOYSA-N 0 1 408.915 3.438 20 5 HGBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868401 721067502 /nfs/dbraw/zinc/06/75/02/721067502.db2.gz OIKJWWMIJQFPLO-KBPBESRZSA-N 0 1 424.288 3.171 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164804489 721545114 /nfs/dbraw/zinc/54/51/14/721545114.db2.gz JZYOPEDNZQLOCS-MQSCRBSSSA-N 0 1 419.485 3.406 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164800595 721550894 /nfs/dbraw/zinc/55/08/94/721550894.db2.gz CNTIMZRTBPGIQX-QZNHQXDQSA-N 0 1 419.485 3.406 20 5 HGBDMN O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(F)c1 ZINC001164908500 721697753 /nfs/dbraw/zinc/69/77/53/721697753.db2.gz ZNDCNRUPRWNGMF-GOSISDBHSA-N 0 1 407.396 3.262 20 5 HGBDMN COc1cnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c([N+](=O)[O-])c1 ZINC001165022242 721840256 /nfs/dbraw/zinc/84/02/56/721840256.db2.gz QLNDIPNEURDUSP-UHFFFAOYSA-N 0 1 416.478 3.116 20 5 HGBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982633 722131003 /nfs/dbraw/zinc/13/10/03/722131003.db2.gz RUXFIHCWNKOXLI-UGKGYDQZSA-N 0 1 419.485 3.265 20 5 HGBDMN COc1ccccc1C[C@@](C)(CO)NCc1cccc([N+](=O)[O-])c1Br ZINC001175706849 1126149170 /nfs/dbraw/zinc/14/91/70/1126149170.db2.gz IZWTWXHQIXYJKM-SFHVURJKSA-N 0 1 409.280 3.449 20 5 HGBDMN Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164900073 721525297 /nfs/dbraw/zinc/52/52/97/721525297.db2.gz NSWVFEKWCGCFFM-HOCLYGCPSA-N 0 1 406.845 3.433 20 5 HGBDMN O=[N+]([O-])c1cc(F)cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908348 721692547 /nfs/dbraw/zinc/69/25/47/721692547.db2.gz YKHVKORGNIUMRR-GOSISDBHSA-N 0 1 407.396 3.262 20 5 HGBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164907802 721526684 /nfs/dbraw/zinc/52/66/84/721526684.db2.gz OPIPRHVFTMQAKZ-GOEBONIOSA-N 0 1 406.845 3.433 20 5 HGBDMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)ncc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164937888 721921235 /nfs/dbraw/zinc/92/12/35/721921235.db2.gz GUOSQVQXQFYFRA-UHFFFAOYSA-N 0 1 417.897 3.218 20 5 HGBDMN Cc1ccc(-c2ccc(N3CCN(CCc4ccccn4)CC3)nn2)cc1[N+](=O)[O-] ZINC001165056545 722015738 /nfs/dbraw/zinc/01/57/38/722015738.db2.gz VSOPDIHYWGBZLJ-UHFFFAOYSA-N 0 1 404.474 3.120 20 5 HGBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164992839 722193917 /nfs/dbraw/zinc/19/39/17/722193917.db2.gz BDDCRJZZPPQFEG-OAQYLSRUSA-N 0 1 414.437 3.160 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@H]12 ZINC001164808444 721549795 /nfs/dbraw/zinc/54/97/95/721549795.db2.gz SJCMCKBWYVBNPZ-VIZSFHNOSA-N 0 1 419.485 3.406 20 5 HGBDMN Cc1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164907464 721692683 /nfs/dbraw/zinc/69/26/83/721692683.db2.gz TYUVSSDKYQCAMM-LJQANCHMSA-N 0 1 403.433 3.431 20 5 HGBDMN COc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164907505 721701053 /nfs/dbraw/zinc/70/10/53/721701053.db2.gz UYEHTURSYGZCSU-IBGZPJMESA-N 0 1 419.432 3.131 20 5 HGBDMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001165012813 721750019 /nfs/dbraw/zinc/75/00/19/721750019.db2.gz ODKGOTYWQFQXAQ-UHFFFAOYSA-N 0 1 423.517 3.180 20 5 HGBDMN COc1ccccc1C[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1Br ZINC001473751343 1126198785 /nfs/dbraw/zinc/19/87/85/1126198785.db2.gz OSGFWUGLWUOJTC-GOSISDBHSA-N 0 1 409.280 3.449 20 5 HGBDMN Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164900074 721525151 /nfs/dbraw/zinc/52/51/51/721525151.db2.gz NSWVFEKWCGCFFM-ZBFHGGJFSA-N 0 1 406.845 3.433 20 5 HGBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164907800 721527206 /nfs/dbraw/zinc/52/72/06/721527206.db2.gz OPIPRHVFTMQAKZ-GDBMZVCRSA-N 0 1 406.845 3.433 20 5 HGBDMN Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164907992 721584699 /nfs/dbraw/zinc/58/46/99/721584699.db2.gz XTOHMXQQVLCBGQ-IBGZPJMESA-N 0 1 403.433 3.431 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@H]12 ZINC001164811966 721590430 /nfs/dbraw/zinc/59/04/30/721590430.db2.gz ZFQTVWDTSBLJTG-BDTNDASRSA-N 0 1 419.485 3.406 20 5 HGBDMN O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(F)c1 ZINC001164908502 721698499 /nfs/dbraw/zinc/69/84/99/721698499.db2.gz ZNDCNRUPRWNGMF-SFHVURJKSA-N 0 1 407.396 3.262 20 5 HGBDMN COc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164903594 721699266 /nfs/dbraw/zinc/69/92/66/721699266.db2.gz AQBWCTJTMRGVPN-IBGZPJMESA-N 0 1 419.432 3.131 20 5 HGBDMN CN1CCO[C@@H]2CN(c3nc4ccccc4cc3COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001164669346 719485664 /nfs/dbraw/zinc/48/56/64/719485664.db2.gz SWANJRMFHHFCNV-IFMALSPDSA-N 0 1 420.469 3.241 20 5 HGBDMN COc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164907508 721693351 /nfs/dbraw/zinc/69/33/51/721693351.db2.gz UYLSWUJSFDDGRC-LJQANCHMSA-N 0 1 419.432 3.131 20 5 HGBDMN CC(C)Oc1nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)ccc1[N+](=O)[O-] ZINC001164858778 721009518 /nfs/dbraw/zinc/00/95/18/721009518.db2.gz GSHFUHILNFUWLE-OAHLLOKOSA-N 0 1 402.499 3.395 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164808443 721549850 /nfs/dbraw/zinc/54/98/50/721549850.db2.gz SJCMCKBWYVBNPZ-TXTKFYIRSA-N 0 1 419.485 3.406 20 5 HGBDMN COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164692793 719808699 /nfs/dbraw/zinc/80/86/99/719808699.db2.gz MRVRCYJMALFHRK-UHFFFAOYSA-N 0 1 418.523 3.102 20 5 HGBDMN CSc1nc(Cl)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1[N+](=O)[O-] ZINC001164723122 720392060 /nfs/dbraw/zinc/39/20/60/720392060.db2.gz GEVJFVFJDNRLPC-QWHCGFSZSA-N 0 1 406.899 3.008 20 5 HGBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164733431 720556967 /nfs/dbraw/zinc/55/69/67/720556967.db2.gz NCWDDEFFELSRCT-UHFFFAOYSA-N 0 1 411.293 3.152 20 5 HGBDMN Cc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164904166 721584726 /nfs/dbraw/zinc/58/47/26/721584726.db2.gz DKSKGCADJHGSLZ-IBGZPJMESA-N 0 1 403.433 3.431 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164811975 721590396 /nfs/dbraw/zinc/59/03/96/721590396.db2.gz ZFQTVWDTSBLJTG-YPAWHYETSA-N 0 1 419.485 3.406 20 5 HGBDMN COc1cc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)ncc1[N+](=O)[O-] ZINC001164938976 721925146 /nfs/dbraw/zinc/92/51/46/721925146.db2.gz FNAXGJJVSSHEFV-UHFFFAOYSA-N 0 1 412.490 3.178 20 5 HGBDMN COC(=O)c1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164993804 722201503 /nfs/dbraw/zinc/20/15/03/722201503.db2.gz BTBXSVVQNJMWSM-NRFANRHFSA-N 0 1 414.437 3.160 20 5 HGBDMN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000426738016 1126085188 /nfs/dbraw/zinc/08/51/88/1126085188.db2.gz RZXVYHXWJOLBJD-LJQANCHMSA-N 0 1 405.414 3.252 20 5 HGBDMN O=[N+]([O-])c1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc2[nH]ccc21 ZINC001164697601 719896331 /nfs/dbraw/zinc/89/63/31/719896331.db2.gz LWEAOBDKLJDFJB-UHFFFAOYSA-N 0 1 413.503 3.404 20 5 HGBDMN Cc1cc([N+](=O)[O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979153 722109596 /nfs/dbraw/zinc/10/95/96/722109596.db2.gz PFMAAFHPASJIKT-WMZOPIPTSA-N 0 1 417.897 3.074 20 5 HGBDMN O=C([O-])[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123269532 939818376 /nfs/dbraw/zinc/81/83/76/939818376.db2.gz ZICZQUFPENMFKR-HXUWFJFHSA-N 0 1 417.849 3.097 20 5 HGBDMN Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4[C@H](C3)OCCN4C)n2)cc1[N+](=O)[O-] ZINC001164669204 719445000 /nfs/dbraw/zinc/44/50/00/719445000.db2.gz LEMOYKFDOIEQCY-SJORKVTESA-N 0 1 411.487 3.094 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@H]12 ZINC001164808442 721550047 /nfs/dbraw/zinc/55/00/47/721550047.db2.gz SJCMCKBWYVBNPZ-MZKRTTBSSA-N 0 1 419.485 3.406 20 5 HGBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907085 721584807 /nfs/dbraw/zinc/58/48/07/721584807.db2.gz RFTUJJGIYDOTDG-IBGZPJMESA-N 0 1 403.433 3.431 20 5 HGBDMN COc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1 ZINC001164907506 721701317 /nfs/dbraw/zinc/70/13/17/721701317.db2.gz UYEHTURSYGZCSU-LJQANCHMSA-N 0 1 419.432 3.131 20 5 HGBDMN COc1ccccc1C[C@](C)(CO)NCc1cccc([N+](=O)[O-])c1Br ZINC001175706848 1126149185 /nfs/dbraw/zinc/14/91/85/1126149185.db2.gz IZWTWXHQIXYJKM-GOSISDBHSA-N 0 1 409.280 3.449 20 5 HGBDMN O=[N+]([O-])c1cc(-c2ccc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)nn2)ccc1Cl ZINC001164967628 722076940 /nfs/dbraw/zinc/07/69/40/722076940.db2.gz GZUTZJIHXVXLKK-IYBDPMFKSA-N 0 1 415.881 3.005 20 5 HGBDMN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000426738015 1126085219 /nfs/dbraw/zinc/08/52/19/1126085219.db2.gz RZXVYHXWJOLBJD-IBGZPJMESA-N 0 1 405.414 3.252 20 5 HGBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164722015 720342225 /nfs/dbraw/zinc/34/22/25/720342225.db2.gz DOJUOXISMFLGLO-QWHCGFSZSA-N 0 1 406.899 3.008 20 5 HGBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164726602 720358807 /nfs/dbraw/zinc/35/88/07/720358807.db2.gz PYZOYUPJWRODEJ-IRXDYDNUSA-N 0 1 410.865 3.440 20 5 HGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867491 721081464 /nfs/dbraw/zinc/08/14/64/721081464.db2.gz YNAUUXMXMRRBQS-ZIAGYGMSSA-N 0 1 424.288 3.171 20 5 HGBDMN Cc1cc(N2CCN(CCc3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165056023 722018139 /nfs/dbraw/zinc/01/81/39/722018139.db2.gz UOSWTBMLOVEMCW-UHFFFAOYSA-N 0 1 404.474 3.120 20 5 HGBDMN CCOc1nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)ccc1[N+](=O)[O-] ZINC001164697542 719896142 /nfs/dbraw/zinc/89/61/42/719896142.db2.gz KRXNQAORRPBYGS-UHFFFAOYSA-N 0 1 418.519 3.321 20 5 HGBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164726603 720359362 /nfs/dbraw/zinc/35/93/62/720359362.db2.gz PYZOYUPJWRODEJ-SJORKVTESA-N 0 1 410.865 3.440 20 5 HGBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164976639 722109987 /nfs/dbraw/zinc/10/99/87/722109987.db2.gz LZTOXQUUZUEGNW-WMZOPIPTSA-N 0 1 417.897 3.074 20 5 HGBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164976626 722110254 /nfs/dbraw/zinc/11/02/54/722110254.db2.gz LZTOXQUUZUEGNW-AEFFLSMTSA-N 0 1 417.897 3.074 20 5 HGBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982624 722130967 /nfs/dbraw/zinc/13/09/67/722130967.db2.gz RUXFIHCWNKOXLI-DENIHFKCSA-N 0 1 419.485 3.265 20 5 HGBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164722014 720343113 /nfs/dbraw/zinc/34/31/13/720343113.db2.gz DOJUOXISMFLGLO-OLZOCXBDSA-N 0 1 406.899 3.008 20 5 HGBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164726600 720359785 /nfs/dbraw/zinc/35/97/85/720359785.db2.gz PYZOYUPJWRODEJ-DLBZAZTESA-N 0 1 410.865 3.440 20 5 HGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728823 720561553 /nfs/dbraw/zinc/56/15/53/720561553.db2.gz MVGXTFHBXRNZQI-UHFFFAOYSA-N 0 1 411.293 3.152 20 5 HGBDMN Cc1cc([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164897136 721526051 /nfs/dbraw/zinc/52/60/51/721526051.db2.gz DUJRGADPAOSOMR-GDBMZVCRSA-N 0 1 406.845 3.433 20 5 HGBDMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc3ccc4cccnc4c3n2)CC1 ZINC001165011162 721733850 /nfs/dbraw/zinc/73/38/50/721733850.db2.gz OAWNLHVXHCNZSK-UHFFFAOYSA-N 0 1 403.530 3.306 20 5 HGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001165022438 721839118 /nfs/dbraw/zinc/83/91/18/721839118.db2.gz SNMZOBKDRISHHD-UHFFFAOYSA-N 0 1 416.478 3.116 20 5 HGBDMN NC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000583621537 560777006 /nfs/dbraw/zinc/77/70/06/560777006.db2.gz YUYGBKISCPTXQI-KRWDZBQOSA-N 0 1 405.458 3.259 20 5 HGBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164722016 720341827 /nfs/dbraw/zinc/34/18/27/720341827.db2.gz DOJUOXISMFLGLO-STQMWFEESA-N 0 1 406.899 3.008 20 5 HGBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868407 721066952 /nfs/dbraw/zinc/06/69/52/721066952.db2.gz OIKJWWMIJQFPLO-ZIAGYGMSSA-N 0 1 424.288 3.171 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)[C@H]2CCCO[C@H]12 ZINC001164800597 721550833 /nfs/dbraw/zinc/55/08/33/721550833.db2.gz CNTIMZRTBPGIQX-XJUOHMSHSA-N 0 1 419.485 3.406 20 5 HGBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907086 721584661 /nfs/dbraw/zinc/58/46/61/721584661.db2.gz RFTUJJGIYDOTDG-LJQANCHMSA-N 0 1 403.433 3.431 20 5 HGBDMN Cc1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164907463 721692481 /nfs/dbraw/zinc/69/24/81/721692481.db2.gz TYUVSSDKYQCAMM-IBGZPJMESA-N 0 1 403.433 3.431 20 5 HGBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN(CCOc3ccccc3)CC2)c1 ZINC001165046228 721962337 /nfs/dbraw/zinc/96/23/37/721962337.db2.gz JCSOZISIATYSNT-UHFFFAOYSA-N 0 1 413.865 3.392 20 5 HGBDMN Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164979152 722109858 /nfs/dbraw/zinc/10/98/58/722109858.db2.gz PFMAAFHPASJIKT-SJLPKXTDSA-N 0 1 417.897 3.074 20 5 HGBDMN COC(=O)c1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164993805 722201943 /nfs/dbraw/zinc/20/19/43/722201943.db2.gz BTBXSVVQNJMWSM-OAQYLSRUSA-N 0 1 414.437 3.160 20 5 HGBDMN Cc1nc(CN2CCCC23CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC3)cs1 ZINC001164693995 719808896 /nfs/dbraw/zinc/80/88/96/719808896.db2.gz TUWWIGNXGDKQSC-UHFFFAOYSA-N 0 1 423.926 3.282 20 5 HGBDMN Cc1cc(N2CCc3ncc(CN4CCCC4)n3CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164734141 720556558 /nfs/dbraw/zinc/55/65/58/720556558.db2.gz VZENNYRCGLVARG-UHFFFAOYSA-N 0 1 406.490 3.306 20 5 HGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164857956 720940975 /nfs/dbraw/zinc/94/09/75/720940975.db2.gz ILZYTCKCQITFRV-JTQLQIEISA-N 0 1 414.297 3.310 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@H]12 ZINC001164804495 721545281 /nfs/dbraw/zinc/54/52/81/721545281.db2.gz JZYOPEDNZQLOCS-XPNTWCBSSA-N 0 1 419.485 3.406 20 5 HGBDMN Cc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164904168 721584641 /nfs/dbraw/zinc/58/46/41/721584641.db2.gz DKSKGCADJHGSLZ-LJQANCHMSA-N 0 1 403.433 3.431 20 5 HGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001165020310 721838247 /nfs/dbraw/zinc/83/82/47/721838247.db2.gz HSANMNCWUVXTJK-UHFFFAOYSA-N 0 1 400.479 3.416 20 5 HGBDMN O=[N+]([O-])c1cc(-c2ccc(N3CCN(C[C@H]4CCCO4)CC3)nn2)ccc1Cl ZINC001165041881 721922763 /nfs/dbraw/zinc/92/27/63/721922763.db2.gz CPLZTNFBGDCNOF-OAHLLOKOSA-N 0 1 403.870 3.006 20 5 HGBDMN NC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000583621538 560777039 /nfs/dbraw/zinc/77/70/39/560777039.db2.gz YUYGBKISCPTXQI-QGZVFWFLSA-N 0 1 405.458 3.259 20 5 HGBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164976634 722109964 /nfs/dbraw/zinc/10/99/64/722109964.db2.gz LZTOXQUUZUEGNW-SJLPKXTDSA-N 0 1 417.897 3.074 20 5 HGBDMN Cc1cc([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl ZINC001164897167 721526109 /nfs/dbraw/zinc/52/61/09/721526109.db2.gz DUJRGADPAOSOMR-ZBFHGGJFSA-N 0 1 406.845 3.433 20 5 HGBDMN O=[N+]([O-])c1cc(F)cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908350 721693165 /nfs/dbraw/zinc/69/31/65/721693165.db2.gz YKHVKORGNIUMRR-SFHVURJKSA-N 0 1 407.396 3.262 20 5 HGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001165022515 721839920 /nfs/dbraw/zinc/83/99/20/721839920.db2.gz UPGHJOJVBIPDRR-UHFFFAOYSA-N 0 1 404.442 3.247 20 5 HGBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982626 722130640 /nfs/dbraw/zinc/13/06/40/722130640.db2.gz RUXFIHCWNKOXLI-KNQAVFIVSA-N 0 1 419.485 3.265 20 5 HGBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994348 722213370 /nfs/dbraw/zinc/21/33/70/722213370.db2.gz AWKAVVKGBHRTSU-OAQYLSRUSA-N 0 1 414.437 3.160 20 5 HGBDMN COc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164903596 721699111 /nfs/dbraw/zinc/69/91/11/721699111.db2.gz AQBWCTJTMRGVPN-LJQANCHMSA-N 0 1 419.432 3.131 20 5 HGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc(C)c2[N+](=O)[O-])CC1 ZINC001165021545 721839346 /nfs/dbraw/zinc/83/93/46/721839346.db2.gz OCGCHOJEMRMUNJ-UHFFFAOYSA-N 0 1 400.479 3.416 20 5 HGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867489 721082236 /nfs/dbraw/zinc/08/22/36/721082236.db2.gz YNAUUXMXMRRBQS-UONOGXRCSA-N 0 1 424.288 3.171 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@H]12 ZINC001164804492 721545228 /nfs/dbraw/zinc/54/52/28/721545228.db2.gz JZYOPEDNZQLOCS-XJUOHMSHSA-N 0 1 419.485 3.406 20 5 HGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001165021506 721838268 /nfs/dbraw/zinc/83/82/68/721838268.db2.gz NHHBPDPVGCMDOJ-UHFFFAOYSA-N 0 1 400.479 3.416 20 5 HGBDMN Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164979147 722109660 /nfs/dbraw/zinc/10/96/60/722109660.db2.gz PFMAAFHPASJIKT-AEFFLSMTSA-N 0 1 417.897 3.074 20 5 HGBDMN CN1CCO[C@@H]2CN(c3cc(Oc4ccnc(Cl)c4)c(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001164667771 719394025 /nfs/dbraw/zinc/39/40/25/719394025.db2.gz PJBGUMQZOHUOGZ-NVXWUHKLSA-N 0 1 408.817 3.094 20 5 HGBDMN COc1nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC001164691152 719805359 /nfs/dbraw/zinc/80/53/59/719805359.db2.gz DZGCSMCRGHTBAW-UHFFFAOYSA-N 0 1 403.508 3.398 20 5 HGBDMN CCc1cc(N2CCN(CCc3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165054870 722018355 /nfs/dbraw/zinc/01/83/55/722018355.db2.gz GVRYGGFZRJDZLS-UHFFFAOYSA-N 0 1 418.501 3.374 20 5 HGBDMN O=[N+]([O-])c1cc(-c2ccc(N3CCN(CCc4ccccn4)CC3)nn2)ccc1Cl ZINC001165055697 722019177 /nfs/dbraw/zinc/01/91/77/722019177.db2.gz SRRKEMNVFCYHTF-UHFFFAOYSA-N 0 1 424.892 3.465 20 5 HGBDMN O=[N+]([O-])c1cc(Cl)cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963878 722054815 /nfs/dbraw/zinc/05/48/15/722054815.db2.gz PKPATQIURCOJLB-UHFFFAOYSA-N 0 1 417.897 3.157 20 5 HGBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164722008 720342007 /nfs/dbraw/zinc/34/20/07/720342007.db2.gz DOJUOXISMFLGLO-CHWSQXEVSA-N 0 1 406.899 3.008 20 5 HGBDMN COc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164907507 721692579 /nfs/dbraw/zinc/69/25/79/721692579.db2.gz UYLSWUJSFDDGRC-IBGZPJMESA-N 0 1 419.432 3.131 20 5 HGBDMN O=[N+]([O-])c1cc(-c2ccc(N3CCN(C[C@@H]4CCCO4)CC3)nn2)ccc1Cl ZINC001165041879 721923164 /nfs/dbraw/zinc/92/31/64/721923164.db2.gz CPLZTNFBGDCNOF-HNNXBMFYSA-N 0 1 403.870 3.006 20 5 HGBDMN Cc1c(C)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164964158 722056747 /nfs/dbraw/zinc/05/67/47/722056747.db2.gz SEALWNFFUUANIP-UHFFFAOYSA-N 0 1 411.506 3.121 20 5 HGBDMN C[C@H]1CCc2nc(C[NH2+][C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])sc2C1 ZINC000426735562 1126084671 /nfs/dbraw/zinc/08/46/71/1126084671.db2.gz UJJAJGVTWNXTQV-GTNSWQLSSA-N 0 1 414.487 3.443 20 5 HGBDMN C[C@H]1CCc2nc(C[NH2+][C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])sc2C1 ZINC000426735560 1126084739 /nfs/dbraw/zinc/08/47/39/1126084739.db2.gz UJJAJGVTWNXTQV-APPDUMDISA-N 0 1 414.487 3.443 20 5 HGBDMN COc1ccccc1C[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1Br ZINC001473751344 1126198960 /nfs/dbraw/zinc/19/89/60/1126198960.db2.gz OSGFWUGLWUOJTC-SFHVURJKSA-N 0 1 409.280 3.449 20 5 HGBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164857957 720941559 /nfs/dbraw/zinc/94/15/59/720941559.db2.gz ILZYTCKCQITFRV-SNVBAGLBSA-N 0 1 414.297 3.310 20 5 HGBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc([N+](=O)[O-])cc2C)CC1 ZINC001165023352 721838231 /nfs/dbraw/zinc/83/82/31/721838231.db2.gz VNDFVAOGOLXSCB-UHFFFAOYSA-N 0 1 400.479 3.416 20 5 HGBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960529 722053394 /nfs/dbraw/zinc/05/33/94/722053394.db2.gz RLVMZPVAPIBGKG-UHFFFAOYSA-N 0 1 417.897 3.157 20 5 HGBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164992836 722193417 /nfs/dbraw/zinc/19/34/17/722193417.db2.gz BDDCRJZZPPQFEG-NRFANRHFSA-N 0 1 414.437 3.160 20 5 HGBDMN COc1ccc(C[C@@](C)(CO)NCc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC001176586791 1126149396 /nfs/dbraw/zinc/14/93/96/1126149396.db2.gz FAZFCXKWFIWTJK-SFHVURJKSA-N 0 1 409.280 3.449 20 5 HGBDMN Cc1ccc(-c2nc3sccc3c(N3C[C@H]4OCCN(C)[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164669201 719446326 /nfs/dbraw/zinc/44/63/26/719446326.db2.gz LEMOYKFDOIEQCY-DLBZAZTESA-N 0 1 411.487 3.094 20 5 HGBDMN Cc1nc(CN2CCCC23CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC3)cs1 ZINC001164692808 719811192 /nfs/dbraw/zinc/81/11/92/719811192.db2.gz NEQJXCAOIITBEM-UHFFFAOYSA-N 0 1 423.926 3.282 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@@H]12 ZINC001164804491 721545415 /nfs/dbraw/zinc/54/54/15/721545415.db2.gz JZYOPEDNZQLOCS-QZNHQXDQSA-N 0 1 419.485 3.406 20 5 HGBDMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3cccc([N+](=O)[O-])c3n2)[C@H]2CCCO[C@@H]12 ZINC001164808441 721550263 /nfs/dbraw/zinc/55/02/63/721550263.db2.gz SJCMCKBWYVBNPZ-MIZPHKNDSA-N 0 1 419.485 3.406 20 5 HGBDMN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN(CCOc4ccccc4)CC3)c2c1 ZINC001165044666 721954403 /nfs/dbraw/zinc/95/44/03/721954403.db2.gz MXTRFPMNXCTIOI-UHFFFAOYSA-N 0 1 413.865 3.392 20 5 HGBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960504 722052132 /nfs/dbraw/zinc/05/21/32/722052132.db2.gz QAOGSLJJZAOWHO-UHFFFAOYSA-N 0 1 417.897 3.157 20 5 HGBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164976630 722110129 /nfs/dbraw/zinc/11/01/29/722110129.db2.gz LZTOXQUUZUEGNW-FUHWJXTLSA-N 0 1 417.897 3.074 20 5 HGBDMN