smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H](Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+]1CCOCC1 ZINC001359662285 1070282534 /nfs/dbraw/zinc/28/25/34/1070282534.db2.gz WRPBRWMQYWKKLR-QHCPKHFHSA-N 1 1 470.618 4.226 20 5 JIBDMO C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC001357779436 1067898619 /nfs/dbraw/zinc/89/86/19/1067898619.db2.gz LOUDSFCBKAPSFA-KSZLIROESA-N 1 1 456.612 4.315 20 5 JIBDMO C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC001357779436 1067898621 /nfs/dbraw/zinc/89/86/21/1067898621.db2.gz LOUDSFCBKAPSFA-KSZLIROESA-N 1 1 456.612 4.315 20 5 JIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164724841 720484419 /nfs/dbraw/zinc/48/44/19/720484419.db2.gz IIJQDPIGKGCDBH-RTWAWAEBSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164724841 720484424 /nfs/dbraw/zinc/48/44/24/720484424.db2.gz IIJQDPIGKGCDBH-RTWAWAEBSA-N 1 1 486.910 4.498 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842162 720533317 /nfs/dbraw/zinc/53/33/17/720533317.db2.gz XAYFLIFXCZDOLO-ABSDTBQOSA-N 1 1 454.962 4.371 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840177 720629965 /nfs/dbraw/zinc/62/99/65/720629965.db2.gz PEOGSMTZXQFJKM-CNNODRBYSA-N 1 1 481.988 4.280 20 5 JIBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164785862 721458991 /nfs/dbraw/zinc/45/89/91/721458991.db2.gz OEXQQNFZRSIQQZ-INIZCTEOSA-N 1 1 473.401 4.031 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164907753 721747194 /nfs/dbraw/zinc/74/71/94/721747194.db2.gz AEBSTVJONBRUDR-UHFFFAOYSA-N 1 1 485.928 4.003 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164907753 721747205 /nfs/dbraw/zinc/74/72/05/721747205.db2.gz AEBSTVJONBRUDR-UHFFFAOYSA-N 1 1 485.928 4.003 20 5 JIBDMO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001315716669 1065007032 /nfs/dbraw/zinc/00/70/32/1065007032.db2.gz LCHMGVWEHSWPPD-CVDCTZTESA-N 1 1 470.618 4.369 20 5 JIBDMO C[C@@H]1C[C@H](CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001356500287 1067764477 /nfs/dbraw/zinc/76/44/77/1067764477.db2.gz AGVIIKOVLXPJKO-HIFRSBDPSA-N 1 1 452.374 4.449 20 5 JIBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001358040259 1068001456 /nfs/dbraw/zinc/00/14/56/1068001456.db2.gz RMPIHRGIHQPTNF-RBZFPXEDSA-N 1 1 452.889 4.015 20 5 JIBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001358040259 1068001480 /nfs/dbraw/zinc/00/14/80/1068001480.db2.gz RMPIHRGIHQPTNF-RBZFPXEDSA-N 1 1 452.889 4.015 20 5 JIBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001358244540 1068050377 /nfs/dbraw/zinc/05/03/77/1068050377.db2.gz RMXXSXUGEJFNQJ-UHFFFAOYSA-N 1 1 458.356 4.486 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164840444 720662905 /nfs/dbraw/zinc/66/29/05/720662905.db2.gz MNHDHCAESRJSEA-SFHVURJKSA-N 1 1 466.916 4.448 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164838861 720723465 /nfs/dbraw/zinc/72/34/65/720723465.db2.gz JKKUXNKNHRKGMQ-NRFANRHFSA-N 1 1 477.540 4.451 20 5 JIBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164755926 720883722 /nfs/dbraw/zinc/88/37/22/720883722.db2.gz NIHRORYGHGXVAB-YIXXDRMTSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753676 720935983 /nfs/dbraw/zinc/93/59/83/720935983.db2.gz RZEBWPULNPDPAT-WNCULLNHSA-N 1 1 473.577 4.293 20 5 JIBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5ccccc5cc4COc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164764958 721243628 /nfs/dbraw/zinc/24/36/28/721243628.db2.gz QLKVBXBPFYFKBA-UPVQGACJSA-N 1 1 498.587 4.414 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164776443 721341675 /nfs/dbraw/zinc/34/16/75/721341675.db2.gz BLVSKWBXTFEBAN-RUZDIDTESA-N 1 1 465.554 4.175 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21 ZINC001165017739 721805739 /nfs/dbraw/zinc/80/57/39/721805739.db2.gz AGRNZNOMZUXDRM-USXIJHARSA-N 1 1 451.905 4.320 20 5 JIBDMO COc1ccc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001354545953 1069321482 /nfs/dbraw/zinc/32/14/82/1069321482.db2.gz SLQRMVVGCLUBSH-KRWDZBQOSA-N 1 1 451.445 4.130 20 5 JIBDMO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001315903262 1065381866 /nfs/dbraw/zinc/38/18/66/1065381866.db2.gz SCPQARAHIHEUNV-NRFANRHFSA-N 1 1 470.618 4.084 20 5 JIBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C2)ccn1 ZINC001351117372 1067048254 /nfs/dbraw/zinc/04/82/54/1067048254.db2.gz LUKOWVHTHUFQQK-SFHVURJKSA-N 1 1 456.934 4.084 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1(C)C ZINC001300793562 1067365528 /nfs/dbraw/zinc/36/55/28/1067365528.db2.gz GHMZLJPQVJJIQC-SIKLNZKXSA-N 1 1 470.618 4.083 20 5 JIBDMO C[C@@H]1C[C@@H](CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001356500289 1067764614 /nfs/dbraw/zinc/76/46/14/1067764614.db2.gz AGVIIKOVLXPJKO-UKRRQHHQSA-N 1 1 452.374 4.449 20 5 JIBDMO Cc1c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001357491946 1067858614 /nfs/dbraw/zinc/85/86/14/1067858614.db2.gz GMBYITRDGISVNO-HLAWJBBLSA-N 1 1 452.511 4.150 20 5 JIBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)cc1 ZINC001473294714 1067881302 /nfs/dbraw/zinc/88/13/02/1067881302.db2.gz STLKMZDSNIAURZ-UHFFFAOYSA-N 1 1 450.583 4.027 20 5 JIBDMO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357781210 1067898881 /nfs/dbraw/zinc/89/88/81/1067898881.db2.gz PCERHLDCNLPWFS-OFNKIYASSA-N 1 1 450.583 4.472 20 5 JIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccc([N+](=O)[O-])cc4)nn2)CC3)cs1 ZINC001164691561 719813417 /nfs/dbraw/zinc/81/34/17/719813417.db2.gz HIJPKVIBZQFDQP-UHFFFAOYSA-N 1 1 450.568 4.452 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164732274 720484232 /nfs/dbraw/zinc/48/42/32/720484232.db2.gz YZEZNVHMESAXIV-NHCUHLMSSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164732274 720484238 /nfs/dbraw/zinc/48/42/38/720484238.db2.gz YZEZNVHMESAXIV-NHCUHLMSSA-N 1 1 486.910 4.498 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164842164 720533685 /nfs/dbraw/zinc/53/36/85/720533685.db2.gz XAYFLIFXCZDOLO-UWVAXJGDSA-N 1 1 454.962 4.371 20 5 JIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753667 720936908 /nfs/dbraw/zinc/93/69/08/720936908.db2.gz RZEBWPULNPDPAT-HOFKKMOUSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867434 721088808 /nfs/dbraw/zinc/08/88/08/721088808.db2.gz YMDILMFIQPGIHL-HKUYNNGSSA-N 1 1 499.930 4.449 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164776444 721341899 /nfs/dbraw/zinc/34/18/99/721341899.db2.gz BLVSKWBXTFEBAN-VWLOTQADSA-N 1 1 465.554 4.175 20 5 JIBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC001164785386 721374606 /nfs/dbraw/zinc/37/46/06/721374606.db2.gz RYLDVTOGULMSTI-SANMLTNESA-N 1 1 477.565 4.381 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC001164785386 721374612 /nfs/dbraw/zinc/37/46/12/721374612.db2.gz RYLDVTOGULMSTI-SANMLTNESA-N 1 1 477.565 4.381 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164806097 721548286 /nfs/dbraw/zinc/54/82/86/721548286.db2.gz NSVZOUQYDOJQID-NNMXDRDESA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164806097 721548288 /nfs/dbraw/zinc/54/82/88/721548288.db2.gz NSVZOUQYDOJQID-NNMXDRDESA-N 1 1 453.930 4.060 20 5 JIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164911236 721738370 /nfs/dbraw/zinc/73/83/70/721738370.db2.gz JCDXZMKMPCRGPS-OAQYLSRUSA-N 1 1 474.899 4.324 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001164911444 721764186 /nfs/dbraw/zinc/76/41/86/721764186.db2.gz OYYWJIRJNAIPDH-UHFFFAOYSA-N 1 1 474.496 4.374 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2 ZINC001164911444 721764189 /nfs/dbraw/zinc/76/41/89/721764189.db2.gz OYYWJIRJNAIPDH-UHFFFAOYSA-N 1 1 474.496 4.374 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)CC3)C2)cc1 ZINC001164939295 721923214 /nfs/dbraw/zinc/92/32/14/721923214.db2.gz GVMLEZVVGKVTTE-UHFFFAOYSA-N 1 1 466.916 4.368 20 5 JIBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993790 722208786 /nfs/dbraw/zinc/20/87/86/722208786.db2.gz BMRNQCDZBVWRFX-SFHVURJKSA-N 1 1 459.831 4.441 20 5 JIBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993790 722208790 /nfs/dbraw/zinc/20/87/90/722208790.db2.gz BMRNQCDZBVWRFX-SFHVURJKSA-N 1 1 459.831 4.441 20 5 JIBDMO COC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001315895103 1065360737 /nfs/dbraw/zinc/36/07/37/1065360737.db2.gz OFNGVOIMWOLVDI-NHCUHLMSSA-N 1 1 470.618 4.371 20 5 JIBDMO O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001318230350 1066973885 /nfs/dbraw/zinc/97/38/85/1066973885.db2.gz VQHMXQQOWLLHQY-UHFFFAOYSA-N 1 1 462.554 4.312 20 5 JIBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001350786491 1067001829 /nfs/dbraw/zinc/00/18/29/1067001829.db2.gz KHJPTDQQFJSUDA-UHFFFAOYSA-N 1 1 454.324 4.469 20 5 JIBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC001475041223 1067320519 /nfs/dbraw/zinc/32/05/19/1067320519.db2.gz YQSPWNNFINKCEK-HNNXBMFYSA-N 1 1 452.747 4.136 20 5 JIBDMO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357781206 1067898938 /nfs/dbraw/zinc/89/89/38/1067898938.db2.gz PCERHLDCNLPWFS-NFBKMPQASA-N 1 1 450.583 4.472 20 5 JIBDMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001358479281 1068103590 /nfs/dbraw/zinc/10/35/90/1068103590.db2.gz QSBCXARJXHPZBL-QFIPXVFZSA-N 1 1 453.930 4.218 20 5 JIBDMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001358479281 1068103636 /nfs/dbraw/zinc/10/36/36/1068103636.db2.gz QSBCXARJXHPZBL-QFIPXVFZSA-N 1 1 453.930 4.218 20 5 JIBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC001358489581 1068114641 /nfs/dbraw/zinc/11/46/41/1068114641.db2.gz VISMMIZURPRPQZ-LJQANCHMSA-N 1 1 456.568 4.261 20 5 JIBDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000849565849 1069216559 /nfs/dbraw/zinc/21/65/59/1069216559.db2.gz WSUDJMBTGYMQJT-IRXDYDNUSA-N 1 1 457.581 4.215 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@@H]21 ZINC001164840181 720630631 /nfs/dbraw/zinc/63/06/31/720630631.db2.gz PEOGSMTZXQFJKM-IPJJNNNSSA-N 1 1 481.988 4.280 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164838862 720722935 /nfs/dbraw/zinc/72/29/35/720722935.db2.gz JKKUXNKNHRKGMQ-OAQYLSRUSA-N 1 1 477.540 4.451 20 5 JIBDMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164756542 720881909 /nfs/dbraw/zinc/88/19/09/720881909.db2.gz QDXPFMCRLHXGGU-YKSBVNFPSA-N 1 1 471.989 4.102 20 5 JIBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164777327 721348655 /nfs/dbraw/zinc/34/86/55/721348655.db2.gz GHSXQZXDWZXGTN-HXUWFJFHSA-N 1 1 470.357 4.020 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164777327 721348657 /nfs/dbraw/zinc/34/86/57/721348657.db2.gz GHSXQZXDWZXGTN-HXUWFJFHSA-N 1 1 470.357 4.020 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]12 ZINC001164809238 721561582 /nfs/dbraw/zinc/56/15/82/721561582.db2.gz WEPYJOVFQUFQCX-TXTKFYIRSA-N 1 1 453.930 4.060 20 5 JIBDMO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1[N+](=O)[O-] ZINC001164905711 721716773 /nfs/dbraw/zinc/71/67/73/721716773.db2.gz IXKAJVJFYXDOEL-DEOSSOPVSA-N 1 1 480.519 4.493 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001165021374 721807573 /nfs/dbraw/zinc/80/75/73/721807573.db2.gz GOKJESWPESJIQZ-LSBZLQRGSA-N 1 1 451.905 4.320 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164939904 721925354 /nfs/dbraw/zinc/92/53/54/721925354.db2.gz PJDBLEZFLMRGMS-UHFFFAOYSA-N 1 1 451.354 4.476 20 5 JIBDMO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC001354629250 1069424864 /nfs/dbraw/zinc/42/48/64/1069424864.db2.gz RZXNOQYKVHJEET-IOMROCGXSA-N 1 1 450.564 4.453 20 5 JIBDMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001359411380 1069526500 /nfs/dbraw/zinc/52/65/00/1069526500.db2.gz KCVYJMYMYHLZKN-YUVSOPLDSA-N 1 1 497.644 4.001 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC[C@@H]1C ZINC001315714147 1065001412 /nfs/dbraw/zinc/00/14/12/1065001412.db2.gz CWOUQLFDXJFQNR-SXWKCWPCSA-N 1 1 470.618 4.083 20 5 JIBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1SC ZINC001354902496 1067269273 /nfs/dbraw/zinc/26/92/73/1067269273.db2.gz ZYOQPBPNBJRXEZ-DEOSSOPVSA-N 1 1 455.580 4.454 20 5 JIBDMO Cc1c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001357491947 1067858681 /nfs/dbraw/zinc/85/86/81/1067858681.db2.gz GMBYITRDGISVNO-HMXCVIKNSA-N 1 1 452.511 4.150 20 5 JIBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001357756595 1067894977 /nfs/dbraw/zinc/89/49/77/1067894977.db2.gz RKXLSKWOCGKXEJ-XZOQPEGZSA-N 1 1 464.953 4.218 20 5 JIBDMO CSc1nc(Cl)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164693761 719809449 /nfs/dbraw/zinc/80/94/49/719809449.db2.gz RBNQDJXCNJBGRI-UHFFFAOYSA-N 1 1 455.009 4.160 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164718646 720109477 /nfs/dbraw/zinc/10/94/77/720109477.db2.gz UGOKEJXHDXTKTJ-SFHVURJKSA-N 1 1 481.931 4.091 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164718028 720115477 /nfs/dbraw/zinc/11/54/77/720115477.db2.gz QNEFZJFPLFGQOJ-INIZCTEOSA-N 1 1 466.369 4.199 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840183 720629370 /nfs/dbraw/zinc/62/93/70/720629370.db2.gz PEOGSMTZXQFJKM-XQBPLPMBSA-N 1 1 481.988 4.280 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164837582 720642558 /nfs/dbraw/zinc/64/25/58/720642558.db2.gz DEPPAIDOAHXBQA-BJLQDIEVSA-N 1 1 454.962 4.371 20 5 JIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753680 720936505 /nfs/dbraw/zinc/93/65/05/720936505.db2.gz RZEBWPULNPDPAT-YIXXDRMTSA-N 1 1 473.577 4.293 20 5 JIBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164769349 721201955 /nfs/dbraw/zinc/20/19/55/721201955.db2.gz MDVSKMCNTAEIRC-PMACEKPBSA-N 1 1 489.605 4.267 20 5 JIBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164786285 721471601 /nfs/dbraw/zinc/47/16/01/721471601.db2.gz AOLMQFPHACVSRR-HSZRJFAPSA-N 1 1 480.609 4.391 20 5 JIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906658 721696083 /nfs/dbraw/zinc/69/60/83/721696083.db2.gz OCORWZUVBMKJIF-NRFANRHFSA-N 1 1 474.899 4.324 20 5 JIBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001165021577 721838187 /nfs/dbraw/zinc/83/81/87/721838187.db2.gz OXXUCSGTRCKLHN-UHFFFAOYSA-N 1 1 470.904 4.306 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165045197 721926185 /nfs/dbraw/zinc/92/61/85/721926185.db2.gz ZTNGJGCOKKBOBW-GOSISDBHSA-N 1 1 452.889 4.156 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)CC3)C2)cc1 ZINC001164940247 721930721 /nfs/dbraw/zinc/93/07/21/721930721.db2.gz UGIPCFUFBPNAHD-UHFFFAOYSA-N 1 1 459.550 4.232 20 5 JIBDMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC001354629249 1069424878 /nfs/dbraw/zinc/42/48/78/1069424878.db2.gz RZXNOQYKVHJEET-DUXKGJEZSA-N 1 1 450.564 4.453 20 5 JIBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(F)(F)Br)CC1 ZINC001359548084 1069854289 /nfs/dbraw/zinc/85/42/89/1069854289.db2.gz NIZZEUWQPWXHMT-UHFFFAOYSA-N 1 1 487.349 4.152 20 5 JIBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCS2)CC1 ZINC001359548322 1069854777 /nfs/dbraw/zinc/85/47/77/1069854777.db2.gz WFZNUDXAYZBLSJ-HXUWFJFHSA-N 1 1 458.632 4.450 20 5 JIBDMO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001359701502 1070367697 /nfs/dbraw/zinc/36/76/97/1070367697.db2.gz VUKSMLVTVFEEJZ-HXUWFJFHSA-N 1 1 470.618 4.478 20 5 JIBDMO COC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001315895105 1065360599 /nfs/dbraw/zinc/36/05/99/1065360599.db2.gz OFNGVOIMWOLVDI-SFTDATJTSA-N 1 1 470.618 4.371 20 5 JIBDMO C[C@@H](C1CCCCC1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001316482585 1066399615 /nfs/dbraw/zinc/39/96/15/1066399615.db2.gz PUCKFPKTIFJYAZ-IBGZPJMESA-N 1 1 470.618 4.369 20 5 JIBDMO CO[C@H]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300732482 1067171348 /nfs/dbraw/zinc/17/13/48/1067171348.db2.gz RYEYBTBUNAEWGQ-GGAORHGYSA-N 1 1 470.618 4.225 20 5 JIBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)C1 ZINC001321653488 1067191127 /nfs/dbraw/zinc/19/11/27/1067191127.db2.gz LBRHRUAQCWLQDO-LJQANCHMSA-N 1 1 482.968 4.495 20 5 JIBDMO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1(C)C ZINC001300793557 1067365663 /nfs/dbraw/zinc/36/56/63/1067365663.db2.gz GHMZLJPQVJJIQC-KNQAVFIVSA-N 1 1 470.618 4.083 20 5 JIBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001358040269 1068000922 /nfs/dbraw/zinc/00/09/22/1068000922.db2.gz RMPIHRGIHQPTNF-XCLFUZPHSA-N 1 1 452.889 4.015 20 5 JIBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001358040269 1068000937 /nfs/dbraw/zinc/00/09/37/1068000937.db2.gz RMPIHRGIHQPTNF-XCLFUZPHSA-N 1 1 452.889 4.015 20 5 JIBDMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2Cl)CC1 ZINC001358199401 1068042629 /nfs/dbraw/zinc/04/26/29/1068042629.db2.gz LXGDVLLWCLECOA-UHFFFAOYSA-N 1 1 453.724 4.015 20 5 JIBDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001354140576 1068928203 /nfs/dbraw/zinc/92/82/03/1068928203.db2.gz MRUXFQAKCMORDG-HXUWFJFHSA-N 1 1 459.550 4.279 20 5 JIBDMO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 ZINC001200680388 1069263777 /nfs/dbraw/zinc/26/37/77/1069263777.db2.gz ALXUWJSRDHCPFK-UHFFFAOYSA-N 1 1 456.930 4.089 20 5 JIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752624 720883709 /nfs/dbraw/zinc/88/37/09/720883709.db2.gz FLUVYGNBMXMQPG-RDPSFJRHSA-N 1 1 471.989 4.102 20 5 JIBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164782265 721360365 /nfs/dbraw/zinc/36/03/65/721360365.db2.gz LWPUMIJVJNIHSO-AREMUKBSSA-N 1 1 492.580 4.084 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164782265 721360372 /nfs/dbraw/zinc/36/03/72/721360372.db2.gz LWPUMIJVJNIHSO-AREMUKBSSA-N 1 1 492.580 4.084 20 5 JIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1Cl ZINC001164909197 721561554 /nfs/dbraw/zinc/56/15/54/721561554.db2.gz SVFSHXTVHNJZEP-HKUYNNGSSA-N 1 1 469.904 4.186 20 5 JIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164909199 721561854 /nfs/dbraw/zinc/56/18/54/721561854.db2.gz SVFSHXTVHNJZEP-MJGOQNOKSA-N 1 1 469.904 4.186 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164801650 721590209 /nfs/dbraw/zinc/59/02/09/721590209.db2.gz FEIBRFUPQDOEIQ-AAIMPIBUSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164801650 721590211 /nfs/dbraw/zinc/59/02/11/721590211.db2.gz FEIBRFUPQDOEIQ-AAIMPIBUSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164811457 721590224 /nfs/dbraw/zinc/59/02/24/721590224.db2.gz XPSLRELWXWFIAK-RQTOMXEWSA-N 1 1 463.513 4.059 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164811457 721590227 /nfs/dbraw/zinc/59/02/27/721590227.db2.gz XPSLRELWXWFIAK-RQTOMXEWSA-N 1 1 463.513 4.059 20 5 JIBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908371 721697313 /nfs/dbraw/zinc/69/73/13/721697313.db2.gz YOMUIVHCSGLXLY-GOSISDBHSA-N 1 1 473.858 4.321 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21 ZINC001165017731 721805791 /nfs/dbraw/zinc/80/57/91/721805791.db2.gz AGRNZNOMZUXDRM-BHYGNILZSA-N 1 1 451.905 4.320 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)cnc2Cl)c1 ZINC001165045198 721926688 /nfs/dbraw/zinc/92/66/88/721926688.db2.gz ZTNGJGCOKKBOBW-SFHVURJKSA-N 1 1 452.889 4.156 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC[C@H]1C ZINC001315714149 1065001435 /nfs/dbraw/zinc/00/14/35/1065001435.db2.gz CWOUQLFDXJFQNR-ZRCGQRJVSA-N 1 1 470.618 4.083 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001315716666 1065006886 /nfs/dbraw/zinc/00/68/86/1065006886.db2.gz LCHMGVWEHSWPPD-AUSIDOKSSA-N 1 1 470.618 4.369 20 5 JIBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)c2cccs2)C[C@H]1C ZINC001316123248 1065790599 /nfs/dbraw/zinc/79/05/99/1065790599.db2.gz UFFHOFVERQEKGZ-GOSISDBHSA-N 1 1 484.626 4.050 20 5 JIBDMO Cc1cccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2CC[N@@H+]2CC=CCC2)n1 ZINC001492504348 1066319838 /nfs/dbraw/zinc/31/98/38/1066319838.db2.gz SCKUOPVIKXWNFZ-UHFFFAOYSA-N 1 1 461.570 4.234 20 5 JIBDMO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC001354728131 1067064473 /nfs/dbraw/zinc/06/44/73/1067064473.db2.gz MPABAMLMNSKIKW-NZQKXSOJSA-N 1 1 450.583 4.472 20 5 JIBDMO Cc1c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001357491948 1067858628 /nfs/dbraw/zinc/85/86/28/1067858628.db2.gz GMBYITRDGISVNO-SESVDKBCSA-N 1 1 452.511 4.150 20 5 JIBDMO CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357521959 1067863987 /nfs/dbraw/zinc/86/39/87/1067863987.db2.gz XACZTNRGEYPYAB-JOCHJYFZSA-N 1 1 454.527 4.339 20 5 JIBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC001473302710 1067890586 /nfs/dbraw/zinc/89/05/86/1067890586.db2.gz VWVWKAVFLPOIBB-RPVQJOFSSA-N 1 1 454.365 4.483 20 5 JIBDMO CC(C)[N@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849490897 1069057593 /nfs/dbraw/zinc/05/75/93/1069057593.db2.gz QLJRMLWGAMZSQQ-RPWUZVMVSA-N 1 1 491.548 4.000 20 5 JIBDMO Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164707702 719899261 /nfs/dbraw/zinc/89/92/61/719899261.db2.gz VMMGOTIAYUCOMR-UHFFFAOYSA-N 1 1 465.579 4.293 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164841227 720681918 /nfs/dbraw/zinc/68/19/18/720681918.db2.gz IMIUPUBRJOBKBP-GOSISDBHSA-N 1 1 466.916 4.448 20 5 JIBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Oc5ccnc(Cl)c5)c(F)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772296 721134301 /nfs/dbraw/zinc/13/43/01/721134301.db2.gz VJLIEMALTRGTMH-IRXDYDNUSA-N 1 1 486.935 4.266 20 5 JIBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)C3)O2)CC1 ZINC001164883875 721414521 /nfs/dbraw/zinc/41/45/21/721414521.db2.gz CEJHXDNHUPKADI-HFZDXXHNSA-N 1 1 466.029 4.202 20 5 JIBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164789376 721454749 /nfs/dbraw/zinc/45/47/49/721454749.db2.gz VDTJGVWJNZEHOF-JOCHJYFZSA-N 1 1 468.598 4.185 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@H]2CCCO[C@H]12 ZINC001164809232 721561575 /nfs/dbraw/zinc/56/15/75/721561575.db2.gz WEPYJOVFQUFQCX-MZKRTTBSSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164801661 721590091 /nfs/dbraw/zinc/59/00/91/721590091.db2.gz FEIBRFUPQDOEIQ-ZEYPLWLESA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164801661 721590093 /nfs/dbraw/zinc/59/00/93/721590093.db2.gz FEIBRFUPQDOEIQ-ZEYPLWLESA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]21 ZINC001165026762 721831905 /nfs/dbraw/zinc/83/19/05/721831905.db2.gz QAZJXTUKNIKIAS-UIAACRFSSA-N 1 1 452.946 4.323 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995334 722192947 /nfs/dbraw/zinc/19/29/47/722192947.db2.gz UOLMOUBOKPAGQM-QFIPXVFZSA-N 1 1 462.909 4.204 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995334 722192949 /nfs/dbraw/zinc/19/29/49/722192949.db2.gz UOLMOUBOKPAGQM-QFIPXVFZSA-N 1 1 462.909 4.204 20 5 JIBDMO COCC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001315865023 1065280104 /nfs/dbraw/zinc/28/01/04/1065280104.db2.gz NPNLQDGYXVXADJ-UHFFFAOYSA-N 1 1 468.602 4.291 20 5 JIBDMO CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355545540 1067506957 /nfs/dbraw/zinc/50/69/57/1067506957.db2.gz MSHBPCYEPMYDNT-RBUKOAKNSA-N 1 1 452.338 4.311 20 5 JIBDMO CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355545540 1067506980 /nfs/dbraw/zinc/50/69/80/1067506980.db2.gz MSHBPCYEPMYDNT-RBUKOAKNSA-N 1 1 452.338 4.311 20 5 JIBDMO C[C@H]1C[C@@H](CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001356500285 1067764780 /nfs/dbraw/zinc/76/47/80/1067764780.db2.gz AGVIIKOVLXPJKO-DZGCQCFKSA-N 1 1 452.374 4.449 20 5 JIBDMO CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357521961 1067863964 /nfs/dbraw/zinc/86/39/64/1067863964.db2.gz XACZTNRGEYPYAB-QFIPXVFZSA-N 1 1 454.527 4.339 20 5 JIBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC001473302708 1067890473 /nfs/dbraw/zinc/89/04/73/1067890473.db2.gz VWVWKAVFLPOIBB-MZMPZRCHSA-N 1 1 454.365 4.483 20 5 JIBDMO C[NH+]1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3Br)cc2Cl)CC1 ZINC001358200345 1068042742 /nfs/dbraw/zinc/04/27/42/1068042742.db2.gz XWMGHVXCOJZLEO-UHFFFAOYSA-N 1 1 453.724 4.015 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837585 720642763 /nfs/dbraw/zinc/64/27/63/720642763.db2.gz DEPPAIDOAHXBQA-WSTZPKSXSA-N 1 1 454.962 4.371 20 5 JIBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164755923 720883224 /nfs/dbraw/zinc/88/32/24/720883224.db2.gz NIHRORYGHGXVAB-HOFKKMOUSA-N 1 1 473.577 4.293 20 5 JIBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@H]2C1 ZINC001164855992 720892605 /nfs/dbraw/zinc/89/26/05/720892605.db2.gz FDNUPKGYYBZZFL-LAUBAEHRSA-N 1 1 496.942 4.029 20 5 JIBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164788746 721468557 /nfs/dbraw/zinc/46/85/57/721468557.db2.gz JJBFUZZEDPPVBW-DEOSSOPVSA-N 1 1 495.624 4.094 20 5 JIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164793176 721492892 /nfs/dbraw/zinc/49/28/92/721492892.db2.gz OXQFDHDYKPEULO-UHFFFAOYSA-N 1 1 451.905 4.464 20 5 JIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904933 721695885 /nfs/dbraw/zinc/69/58/85/721695885.db2.gz HRPXTRVFPUXYMR-SFHVURJKSA-N 1 1 458.296 4.429 20 5 JIBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906684 721696030 /nfs/dbraw/zinc/69/60/30/721696030.db2.gz OMUYNYZPCBELEC-NRFANRHFSA-N 1 1 474.899 4.324 20 5 JIBDMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164913154 721729216 /nfs/dbraw/zinc/72/92/16/721729216.db2.gz ULNHOTJHNZTQCQ-DEOSSOPVSA-N 1 1 480.519 4.493 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164912515 721762217 /nfs/dbraw/zinc/76/22/17/721762217.db2.gz YIHYPDQDDPBAKQ-UHFFFAOYSA-N 1 1 482.850 4.240 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2 ZINC001164912515 721762219 /nfs/dbraw/zinc/76/22/19/721762219.db2.gz YIHYPDQDDPBAKQ-UHFFFAOYSA-N 1 1 482.850 4.240 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001165021372 721807798 /nfs/dbraw/zinc/80/77/98/721807798.db2.gz GOKJESWPESJIQZ-DKSSEZFCSA-N 1 1 451.905 4.320 20 5 JIBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001165021309 721839817 /nfs/dbraw/zinc/83/98/17/721839817.db2.gz LEFVHUWNFGHVPJ-UHFFFAOYSA-N 1 1 470.904 4.306 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)CC3)C2)cc1 ZINC001164941404 721933761 /nfs/dbraw/zinc/93/37/61/721933761.db2.gz HMYXEJHNWNPKGJ-UHFFFAOYSA-N 1 1 467.957 4.371 20 5 JIBDMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001359411379 1069526573 /nfs/dbraw/zinc/52/65/73/1069526573.db2.gz KCVYJMYMYHLZKN-BVVFMGSASA-N 1 1 497.644 4.001 20 5 JIBDMO CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(F)(F)F ZINC001359594419 1070041893 /nfs/dbraw/zinc/04/18/93/1070041893.db2.gz YWSDGIJDXWMLQL-QGZVFWFLSA-N 1 1 452.481 4.116 20 5 JIBDMO COCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001316027998 1065639271 /nfs/dbraw/zinc/63/92/71/1065639271.db2.gz SFSCQGCQFGDTGM-UHFFFAOYSA-N 1 1 492.571 4.227 20 5 JIBDMO Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)ccc1[N+](=O)[O-] ZINC001318230564 1066973922 /nfs/dbraw/zinc/97/39/22/1066973922.db2.gz ZXEULKJWDJHCMI-QHCPKHFHSA-N 1 1 490.564 4.009 20 5 JIBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C2)ccn1 ZINC001351117371 1067048393 /nfs/dbraw/zinc/04/83/93/1067048393.db2.gz LUKOWVHTHUFQQK-GOSISDBHSA-N 1 1 456.934 4.084 20 5 JIBDMO CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300732481 1067171507 /nfs/dbraw/zinc/17/15/07/1067171507.db2.gz RYEYBTBUNAEWGQ-FYYLOGMGSA-N 1 1 470.618 4.225 20 5 JIBDMO CCC(C)(C)[NH+]1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC001300141520 1067791160 /nfs/dbraw/zinc/79/11/60/1067791160.db2.gz VFIYYGJIPZKEOO-UHFFFAOYSA-N 1 1 455.580 4.494 20 5 JIBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001358040271 1068001242 /nfs/dbraw/zinc/00/12/42/1068001242.db2.gz RMPIHRGIHQPTNF-ZUOKHONESA-N 1 1 452.889 4.015 20 5 JIBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001358040271 1068001260 /nfs/dbraw/zinc/00/12/60/1068001260.db2.gz RMPIHRGIHQPTNF-ZUOKHONESA-N 1 1 452.889 4.015 20 5 JIBDMO CC(C)[N@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849490895 1069058562 /nfs/dbraw/zinc/05/85/62/1069058562.db2.gz QLJRMLWGAMZSQQ-BJKOFHAPSA-N 1 1 491.548 4.000 20 5 JIBDMO CC(C)[N@H+]1CC[C@@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849490896 1069058571 /nfs/dbraw/zinc/05/85/71/1069058571.db2.gz QLJRMLWGAMZSQQ-DNQXCXABSA-N 1 1 491.548 4.000 20 5 JIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164724838 720484650 /nfs/dbraw/zinc/48/46/50/720484650.db2.gz IIJQDPIGKGCDBH-LEWJYISDSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164724838 720484651 /nfs/dbraw/zinc/48/46/51/720484651.db2.gz IIJQDPIGKGCDBH-LEWJYISDSA-N 1 1 486.910 4.498 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844222 720665855 /nfs/dbraw/zinc/66/58/55/720665855.db2.gz YTQXPROYESVAGI-GOSISDBHSA-N 1 1 488.972 4.080 20 5 JIBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840933 720666885 /nfs/dbraw/zinc/66/68/85/720666885.db2.gz NYVPJAVRKMYUMX-MRXNPFEDSA-N 1 1 463.991 4.020 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164842629 720676744 /nfs/dbraw/zinc/67/67/44/720676744.db2.gz LTISFYMBORSROI-IBGZPJMESA-N 1 1 467.957 4.451 20 5 JIBDMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164756541 720882038 /nfs/dbraw/zinc/88/20/38/720882038.db2.gz QDXPFMCRLHXGGU-RDPSFJRHSA-N 1 1 471.989 4.102 20 5 JIBDMO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc21 ZINC001164758098 720886289 /nfs/dbraw/zinc/88/62/89/720886289.db2.gz WUTMLBFMNSHOSA-AJTFRIOCSA-N 1 1 473.577 4.293 20 5 JIBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164785218 721455208 /nfs/dbraw/zinc/45/52/08/721455208.db2.gz HKAZVCRXAURYOH-INIZCTEOSA-N 1 1 473.401 4.031 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793787 721490618 /nfs/dbraw/zinc/49/06/18/721490618.db2.gz WMORQYVPYWLQJS-UHFFFAOYSA-N 1 1 473.961 4.096 20 5 JIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164792512 721492512 /nfs/dbraw/zinc/49/25/12/721492512.db2.gz PYEBFFXSYFGGPH-UHFFFAOYSA-N 1 1 452.946 4.467 20 5 JIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906659 721695435 /nfs/dbraw/zinc/69/54/35/721695435.db2.gz OCORWZUVBMKJIF-OAQYLSRUSA-N 1 1 474.899 4.324 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21 ZINC001165017734 721805709 /nfs/dbraw/zinc/80/57/09/721805709.db2.gz AGRNZNOMZUXDRM-DJIMGWMZSA-N 1 1 451.905 4.320 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)CC3)C2)cc1 ZINC001164939341 721923893 /nfs/dbraw/zinc/92/38/93/721923893.db2.gz JHACSFDUJHVMML-UHFFFAOYSA-N 1 1 467.957 4.371 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995332 722193248 /nfs/dbraw/zinc/19/32/48/722193248.db2.gz UOLMOUBOKPAGQM-JOCHJYFZSA-N 1 1 462.909 4.204 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995332 722193251 /nfs/dbraw/zinc/19/32/51/722193251.db2.gz UOLMOUBOKPAGQM-JOCHJYFZSA-N 1 1 462.909 4.204 20 5 JIBDMO CC(C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001359698786 1070359902 /nfs/dbraw/zinc/35/99/02/1070359902.db2.gz KUQZKCYAUZGDFM-IBGZPJMESA-N 1 1 458.611 4.002 20 5 JIBDMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001350569176 1066973077 /nfs/dbraw/zinc/97/30/77/1066973077.db2.gz PNCNRNPWIJHWNP-RCZVLFRGSA-N 1 1 450.583 4.038 20 5 JIBDMO O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC001200105191 1067628450 /nfs/dbraw/zinc/62/84/50/1067628450.db2.gz AUIZYWFWYVLWJN-SFHVURJKSA-N 1 1 457.356 4.334 20 5 JIBDMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001300161932 1067816775 /nfs/dbraw/zinc/81/67/75/1067816775.db2.gz DRJYWFFQZHIXDN-BGYRXZFFSA-N 1 1 454.571 4.055 20 5 JIBDMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001358479278 1068102473 /nfs/dbraw/zinc/10/24/73/1068102473.db2.gz QSBCXARJXHPZBL-JOCHJYFZSA-N 1 1 453.930 4.218 20 5 JIBDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001358479278 1068102487 /nfs/dbraw/zinc/10/24/87/1068102487.db2.gz QSBCXARJXHPZBL-JOCHJYFZSA-N 1 1 453.930 4.218 20 5 JIBDMO CC(C)CCSc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC001300568072 1069065165 /nfs/dbraw/zinc/06/51/65/1069065165.db2.gz WVBUANMUACIMNG-NRFANRHFSA-N 1 1 457.596 4.230 20 5 JIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)cc1 ZINC001354529238 1069303684 /nfs/dbraw/zinc/30/36/84/1069303684.db2.gz JLQPVZQLTXFQGZ-OAHLLOKOSA-N 1 1 458.465 4.046 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725788 720484947 /nfs/dbraw/zinc/48/49/47/720484947.db2.gz KEURUXCZTCOASA-RTWAWAEBSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725788 720484961 /nfs/dbraw/zinc/48/49/61/720484961.db2.gz KEURUXCZTCOASA-RTWAWAEBSA-N 1 1 486.910 4.498 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164839963 720644575 /nfs/dbraw/zinc/64/45/75/720644575.db2.gz LKJODKVWVXYHJU-BVSLBCMMSA-N 1 1 464.545 4.370 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164842630 720676576 /nfs/dbraw/zinc/67/65/76/720676576.db2.gz LTISFYMBORSROI-LJQANCHMSA-N 1 1 467.957 4.451 20 5 JIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751640 720880866 /nfs/dbraw/zinc/88/08/66/720880866.db2.gz LNQLUALNQQRVJV-MBSDFSHPSA-N 1 1 492.407 4.447 20 5 JIBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164758770 720886762 /nfs/dbraw/zinc/88/67/62/720886762.db2.gz ZCZPKBMGNQWUNU-YIXXDRMTSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164758769 720886833 /nfs/dbraw/zinc/88/68/33/720886833.db2.gz ZCZPKBMGNQWUNU-WNCULLNHSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc21 ZINC001164749894 720887641 /nfs/dbraw/zinc/88/76/41/720887641.db2.gz AVXCLIXFUGQOKX-CUNXSJBXSA-N 1 1 473.577 4.293 20 5 JIBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164778199 721343247 /nfs/dbraw/zinc/34/32/47/721343247.db2.gz KOTIJNRSVHGZAR-HXUWFJFHSA-N 1 1 470.357 4.020 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164778199 721343250 /nfs/dbraw/zinc/34/32/50/721343250.db2.gz KOTIJNRSVHGZAR-HXUWFJFHSA-N 1 1 470.357 4.020 20 5 JIBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164782266 721359953 /nfs/dbraw/zinc/35/99/53/721359953.db2.gz LWPUMIJVJNIHSO-SANMLTNESA-N 1 1 492.580 4.084 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)C2)C1 ZINC001164782266 721359959 /nfs/dbraw/zinc/35/99/59/721359959.db2.gz LWPUMIJVJNIHSO-SANMLTNESA-N 1 1 492.580 4.084 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164806099 721548260 /nfs/dbraw/zinc/54/82/60/721548260.db2.gz NSVZOUQYDOJQID-WOIUINJBSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164806099 721548263 /nfs/dbraw/zinc/54/82/63/721548263.db2.gz NSVZOUQYDOJQID-WOIUINJBSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H]2CCCO[C@H]12 ZINC001164811454 721590130 /nfs/dbraw/zinc/59/01/30/721590130.db2.gz XPSLRELWXWFIAK-FBLLAGFSSA-N 1 1 463.513 4.059 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H]2CCCO[C@H]12 ZINC001164811454 721590132 /nfs/dbraw/zinc/59/01/32/721590132.db2.gz XPSLRELWXWFIAK-FBLLAGFSSA-N 1 1 463.513 4.059 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164811472 721590171 /nfs/dbraw/zinc/59/01/71/721590171.db2.gz XPSLRELWXWFIAK-SGIRGMQISA-N 1 1 463.513 4.059 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H]2CCCO[C@@H]12 ZINC001164811472 721590172 /nfs/dbraw/zinc/59/01/72/721590172.db2.gz XPSLRELWXWFIAK-SGIRGMQISA-N 1 1 463.513 4.059 20 5 JIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906157 721701559 /nfs/dbraw/zinc/70/15/59/721701559.db2.gz LWLKCGPSSNXYKH-SFHVURJKSA-N 1 1 458.296 4.429 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001165027257 721801238 /nfs/dbraw/zinc/80/12/38/721801238.db2.gz UZMNMPCWGWYQDN-FHLIZLRMSA-N 1 1 451.905 4.320 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)CC3)C2)cc1 ZINC001164938825 721921333 /nfs/dbraw/zinc/92/13/33/721921333.db2.gz RYCLUHHNGDJTCP-UHFFFAOYSA-N 1 1 466.916 4.368 20 5 JIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)ccc1Cl ZINC001164963411 722061591 /nfs/dbraw/zinc/06/15/91/722061591.db2.gz YUJYAIUVUNSCBF-UHFFFAOYSA-N 1 1 494.983 4.219 20 5 JIBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)CC1 ZINC001359548304 1069854730 /nfs/dbraw/zinc/85/47/30/1069854730.db2.gz VQYMTIDGIAUCBQ-UHFFFAOYSA-N 1 1 469.977 4.261 20 5 JIBDMO CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355545539 1067506631 /nfs/dbraw/zinc/50/66/31/1067506631.db2.gz MSHBPCYEPMYDNT-OALUTQOASA-N 1 1 452.338 4.311 20 5 JIBDMO CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355545539 1067506649 /nfs/dbraw/zinc/50/66/49/1067506649.db2.gz MSHBPCYEPMYDNT-OALUTQOASA-N 1 1 452.338 4.311 20 5 JIBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356622785 1067794149 /nfs/dbraw/zinc/79/41/49/1067794149.db2.gz BWBZKCDGVYBVQP-LJQANCHMSA-N 1 1 451.552 4.278 20 5 JIBDMO Cc1c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001357491945 1067858666 /nfs/dbraw/zinc/85/86/66/1067858666.db2.gz GMBYITRDGISVNO-CEWLAPEOSA-N 1 1 452.511 4.150 20 5 JIBDMO C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC001357779438 1067898642 /nfs/dbraw/zinc/89/86/42/1067898642.db2.gz LOUDSFCBKAPSFA-KURKYZTESA-N 1 1 456.612 4.315 20 5 JIBDMO C[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC001357779438 1067898649 /nfs/dbraw/zinc/89/86/49/1067898649.db2.gz LOUDSFCBKAPSFA-KURKYZTESA-N 1 1 456.612 4.315 20 5 JIBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC001358086526 1068016393 /nfs/dbraw/zinc/01/63/93/1068016393.db2.gz YWXJTOJXQQZIGN-UHFFFAOYSA-N 1 1 456.930 4.106 20 5 JIBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC001358489580 1068115570 /nfs/dbraw/zinc/11/55/70/1068115570.db2.gz VISMMIZURPRPQZ-IBGZPJMESA-N 1 1 456.568 4.261 20 5 JIBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC001354209149 1068979117 /nfs/dbraw/zinc/97/91/17/1068979117.db2.gz DJXDGUOVZWIHIR-KPZWWZAWSA-N 1 1 455.483 4.079 20 5 JIBDMO CC(C)[N@H+]1CC[C@H](C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849490898 1069057366 /nfs/dbraw/zinc/05/73/66/1069057366.db2.gz QLJRMLWGAMZSQQ-ZEQRLZLVSA-N 1 1 491.548 4.000 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001164838789 720606709 /nfs/dbraw/zinc/60/67/09/720606709.db2.gz LXIMHLVULUHAEX-MDKPJZGXSA-N 1 1 454.962 4.371 20 5 JIBDMO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164756540 720882334 /nfs/dbraw/zinc/88/23/34/720882334.db2.gz QDXPFMCRLHXGGU-HYBUGGRVSA-N 1 1 471.989 4.102 20 5 JIBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@@H]2C1 ZINC001164855993 720892470 /nfs/dbraw/zinc/89/24/70/720892470.db2.gz FDNUPKGYYBZZFL-UTKZUKDTSA-N 1 1 496.942 4.029 20 5 JIBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)C3)O2)CC1 ZINC001164883879 721415004 /nfs/dbraw/zinc/41/50/04/721415004.db2.gz CEJHXDNHUPKADI-RLWLMLJZSA-N 1 1 466.029 4.202 20 5 JIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164791567 721493392 /nfs/dbraw/zinc/49/33/92/721493392.db2.gz DPKCQBOIUWXGCG-UHFFFAOYSA-N 1 1 451.905 4.464 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164811474 721590442 /nfs/dbraw/zinc/59/04/42/721590442.db2.gz XPSLRELWXWFIAK-TZBSWOFLSA-N 1 1 463.513 4.059 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164811474 721590444 /nfs/dbraw/zinc/59/04/44/721590444.db2.gz XPSLRELWXWFIAK-TZBSWOFLSA-N 1 1 463.513 4.059 20 5 JIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906155 721701496 /nfs/dbraw/zinc/70/14/96/721701496.db2.gz LWLKCGPSSNXYKH-GOSISDBHSA-N 1 1 458.296 4.429 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165021456 721824361 /nfs/dbraw/zinc/82/43/61/721824361.db2.gz FRKIWECGOFZNES-AEGPPILISA-N 1 1 470.883 4.189 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165021464 721824363 /nfs/dbraw/zinc/82/43/63/721824363.db2.gz FRKIWECGOFZNES-VHDGCEQUSA-N 1 1 470.883 4.189 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940556 721923983 /nfs/dbraw/zinc/92/39/83/721923983.db2.gz TWHNGHFMKHKLOM-UHFFFAOYSA-N 1 1 451.354 4.476 20 5 JIBDMO CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355545541 1067506521 /nfs/dbraw/zinc/50/65/21/1067506521.db2.gz MSHBPCYEPMYDNT-RTBURBONSA-N 1 1 452.338 4.311 20 5 JIBDMO CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355545541 1067506537 /nfs/dbraw/zinc/50/65/37/1067506537.db2.gz MSHBPCYEPMYDNT-RTBURBONSA-N 1 1 452.338 4.311 20 5 JIBDMO C[C@@H](c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)[NH+]1CCOCC1 ZINC001200123076 1067687160 /nfs/dbraw/zinc/68/71/60/1067687160.db2.gz XLKAWQLQFWVOJO-AWEZNQCLSA-N 1 1 452.433 4.329 20 5 JIBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC001354209151 1068979350 /nfs/dbraw/zinc/97/93/50/1068979350.db2.gz DJXDGUOVZWIHIR-SGTLLEGYSA-N 1 1 455.483 4.079 20 5 JIBDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000849565850 1069216541 /nfs/dbraw/zinc/21/65/41/1069216541.db2.gz WSUDJMBTGYMQJT-SJORKVTESA-N 1 1 457.581 4.215 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001164838791 720607445 /nfs/dbraw/zinc/60/74/45/720607445.db2.gz LXIMHLVULUHAEX-MMOPVJDHSA-N 1 1 454.962 4.371 20 5 JIBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc21 ZINC001164749890 720887821 /nfs/dbraw/zinc/88/78/21/720887821.db2.gz AVXCLIXFUGQOKX-AMGIVPHBSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867472 721088574 /nfs/dbraw/zinc/08/85/74/721088574.db2.gz YMDILMFIQPGIHL-IEBWSBKVSA-N 1 1 499.930 4.449 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164806095 721548596 /nfs/dbraw/zinc/54/85/96/721548596.db2.gz NSVZOUQYDOJQID-KNKQGSTJSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC001164806095 721548599 /nfs/dbraw/zinc/54/85/99/721548599.db2.gz NSVZOUQYDOJQID-KNKQGSTJSA-N 1 1 453.930 4.060 20 5 JIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)ccc1F ZINC001164913826 721731380 /nfs/dbraw/zinc/73/13/80/721731380.db2.gz YNZLKWXIHFYDFM-HSZRJFAPSA-N 1 1 484.482 4.324 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001164910583 721760508 /nfs/dbraw/zinc/76/05/08/721760508.db2.gz ISLYTPRRENVMHV-UHFFFAOYSA-N 1 1 456.506 4.235 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC001164910583 721760511 /nfs/dbraw/zinc/76/05/11/721760511.db2.gz ISLYTPRRENVMHV-UHFFFAOYSA-N 1 1 456.506 4.235 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165021462 721824272 /nfs/dbraw/zinc/82/42/72/721824272.db2.gz FRKIWECGOFZNES-NWANDNLSSA-N 1 1 470.883 4.189 20 5 JIBDMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027760 721826423 /nfs/dbraw/zinc/82/64/23/721826423.db2.gz TYPNOWBHGHECDV-ZTCOLXNVSA-N 1 1 458.566 4.492 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001165020650 721828491 /nfs/dbraw/zinc/82/84/91/721828491.db2.gz DBEHGDPXJNBCLF-GREBRCKQSA-N 1 1 462.529 4.323 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)CC3)C2)cc1 ZINC001164938650 721932610 /nfs/dbraw/zinc/93/26/10/721932610.db2.gz CTEPMBNOYKEIFK-UHFFFAOYSA-N 1 1 477.540 4.371 20 5 JIBDMO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968197 722077860 /nfs/dbraw/zinc/07/78/60/722077860.db2.gz VQNDYFXCIZNVAR-SZPZYZBQSA-N 1 1 460.534 4.021 20 5 JIBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545955 1069321178 /nfs/dbraw/zinc/32/11/78/1069321178.db2.gz SLZQOEJJQCAIKN-KRWDZBQOSA-N 1 1 451.445 4.130 20 5 JIBDMO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)ccc1[N+](=O)[O-] ZINC001318230561 1066974233 /nfs/dbraw/zinc/97/42/33/1066974233.db2.gz ZXEULKJWDJHCMI-HSZRJFAPSA-N 1 1 490.564 4.009 20 5 JIBDMO CO[C@H]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300732483 1067171657 /nfs/dbraw/zinc/17/16/57/1067171657.db2.gz RYEYBTBUNAEWGQ-GMAHTHKFSA-N 1 1 470.618 4.225 20 5 JIBDMO COc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc([N+](=O)[O-])c1C ZINC001351775336 1067202104 /nfs/dbraw/zinc/20/21/04/1067202104.db2.gz FTNKWBJQCWZTJU-UHFFFAOYSA-N 1 1 451.445 4.279 20 5 JIBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc([N+](=O)[O-])c1C ZINC001351775336 1067202121 /nfs/dbraw/zinc/20/21/21/1067202121.db2.gz FTNKWBJQCWZTJU-UHFFFAOYSA-N 1 1 451.445 4.279 20 5 JIBDMO Cc1csc(Sc2ccc(C(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)cc2[N+](=O)[O-])n1 ZINC001355637192 1067537789 /nfs/dbraw/zinc/53/77/89/1067537789.db2.gz USELYRIOVABQPV-UHFFFAOYSA-N 1 1 455.565 4.177 20 5 JIBDMO CC[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001200108411 1067640578 /nfs/dbraw/zinc/64/05/78/1067640578.db2.gz YIGFQLNUVDRHBL-JOCHJYFZSA-N 1 1 451.527 4.155 20 5 JIBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164694994 719890038 /nfs/dbraw/zinc/89/00/38/719890038.db2.gz IXPWLISMIZHEDQ-UHFFFAOYSA-N 1 1 459.959 4.124 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164718645 720109031 /nfs/dbraw/zinc/10/90/31/720109031.db2.gz UGOKEJXHDXTKTJ-GOSISDBHSA-N 1 1 481.931 4.091 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164716228 720158252 /nfs/dbraw/zinc/15/82/52/720158252.db2.gz ZCQNPMUJBXBKHJ-IBGZPJMESA-N 1 1 482.972 4.094 20 5 JIBDMO CCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164842189 720621235 /nfs/dbraw/zinc/62/12/35/720621235.db2.gz UIMQCQFXKJCYCO-TUACAJSNSA-N 1 1 475.597 4.189 20 5 JIBDMO CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164842187 720622034 /nfs/dbraw/zinc/62/20/34/720622034.db2.gz UIMQCQFXKJCYCO-FGCOXFRFSA-N 1 1 475.597 4.189 20 5 JIBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164758766 720887154 /nfs/dbraw/zinc/88/71/54/720887154.db2.gz ZCZPKBMGNQWUNU-KCWPFWIISA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867476 721088872 /nfs/dbraw/zinc/08/88/72/721088872.db2.gz YMDILMFIQPGIHL-PKOBYXMFSA-N 1 1 499.930 4.449 20 5 JIBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164778198 721342541 /nfs/dbraw/zinc/34/25/41/721342541.db2.gz KOTIJNRSVHGZAR-FQEVSTJZSA-N 1 1 470.357 4.020 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC001164778198 721342544 /nfs/dbraw/zinc/34/25/44/721342544.db2.gz KOTIJNRSVHGZAR-FQEVSTJZSA-N 1 1 470.357 4.020 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164806093 721548268 /nfs/dbraw/zinc/54/82/68/721548268.db2.gz NSVZOUQYDOJQID-JQVVWYNYSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164806093 721548271 /nfs/dbraw/zinc/54/82/71/721548271.db2.gz NSVZOUQYDOJQID-JQVVWYNYSA-N 1 1 453.930 4.060 20 5 JIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164909198 721562099 /nfs/dbraw/zinc/56/20/99/721562099.db2.gz SVFSHXTVHNJZEP-IEBWSBKVSA-N 1 1 469.904 4.186 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164808854 721579307 /nfs/dbraw/zinc/57/93/07/721579307.db2.gz QWBRQUIRAJPLRH-XKCSPQBFSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]21 ZINC001164808850 721579529 /nfs/dbraw/zinc/57/95/29/721579529.db2.gz QWBRQUIRAJPLRH-LSWJPFSZSA-N 1 1 453.930 4.060 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC[C@@H]1C ZINC001315714146 1065001173 /nfs/dbraw/zinc/00/11/73/1065001173.db2.gz CWOUQLFDXJFQNR-MIZPHKNDSA-N 1 1 470.618 4.083 20 5 JIBDMO COc1ccc(NC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c([N+](=O)[O-])c1 ZINC001344458260 1066629901 /nfs/dbraw/zinc/62/99/01/1066629901.db2.gz BWQFTNSPAHEIKD-UHFFFAOYSA-N 1 1 451.483 4.045 20 5 JIBDMO Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)CC2)nc(C)[nH+]1 ZINC001354696312 1067049853 /nfs/dbraw/zinc/04/98/53/1067049853.db2.gz MLMKDFOQLUKZLS-UHFFFAOYSA-N 1 1 455.584 4.435 20 5 JIBDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)cc1 ZINC001321709286 1067202337 /nfs/dbraw/zinc/20/23/37/1067202337.db2.gz XGLQAJABTXLRSF-UHFFFAOYSA-N 1 1 451.445 4.192 20 5 JIBDMO CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001355545538 1067506273 /nfs/dbraw/zinc/50/62/73/1067506273.db2.gz MSHBPCYEPMYDNT-MOPGFXCFSA-N 1 1 452.338 4.311 20 5 JIBDMO CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001355545538 1067506300 /nfs/dbraw/zinc/50/63/00/1067506300.db2.gz MSHBPCYEPMYDNT-MOPGFXCFSA-N 1 1 452.338 4.311 20 5 JIBDMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001356092189 1067658222 /nfs/dbraw/zinc/65/82/22/1067658222.db2.gz XJHGCOUTENWYRR-LEWJYISDSA-N 1 1 458.356 4.242 20 5 JIBDMO O=C(N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001356363873 1067736135 /nfs/dbraw/zinc/73/61/35/1067736135.db2.gz YXRINQFKRWDIKK-UHFFFAOYSA-N 1 1 457.399 4.440 20 5 JIBDMO O=C(N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001356363873 1067736142 /nfs/dbraw/zinc/73/61/42/1067736142.db2.gz YXRINQFKRWDIKK-UHFFFAOYSA-N 1 1 457.399 4.440 20 5 JIBDMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001353871749 1068698656 /nfs/dbraw/zinc/69/86/56/1068698656.db2.gz ZSKHPARORJTRNH-RCZVLFRGSA-N 1 1 450.583 4.038 20 5 JIBDMO COC(=O)c1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001353990198 1068819905 /nfs/dbraw/zinc/81/99/05/1068819905.db2.gz PLADOVUGLSAQQI-SHQCIBLASA-N 1 1 473.529 4.410 20 5 JIBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC001354209152 1068979266 /nfs/dbraw/zinc/97/92/66/1068979266.db2.gz DJXDGUOVZWIHIR-XIKOKIGWSA-N 1 1 455.483 4.079 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725787 720485405 /nfs/dbraw/zinc/48/54/05/720485405.db2.gz KEURUXCZTCOASA-NHCUHLMSSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725787 720485410 /nfs/dbraw/zinc/48/54/10/720485410.db2.gz KEURUXCZTCOASA-NHCUHLMSSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc21 ZINC001164749885 720887585 /nfs/dbraw/zinc/88/75/85/720887585.db2.gz AVXCLIXFUGQOKX-AJTFRIOCSA-N 1 1 473.577 4.293 20 5 JIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)[C@@H]2C ZINC001164863070 721013364 /nfs/dbraw/zinc/01/33/64/721013364.db2.gz SQPYYNFTSJZFBR-OAHLLOKOSA-N 1 1 455.950 4.323 20 5 JIBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Oc5ccnc(Cl)c5)c(F)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772294 721134851 /nfs/dbraw/zinc/13/48/51/721134851.db2.gz VJLIEMALTRGTMH-DLBZAZTESA-N 1 1 486.935 4.266 20 5 JIBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164785221 721455328 /nfs/dbraw/zinc/45/53/28/721455328.db2.gz HKAZVCRXAURYOH-MRXNPFEDSA-N 1 1 473.401 4.031 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164909413 721751337 /nfs/dbraw/zinc/75/13/37/721751337.db2.gz RRYHDFNQJJYDSY-UHFFFAOYSA-N 1 1 463.872 4.371 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164909413 721751339 /nfs/dbraw/zinc/75/13/39/721751339.db2.gz RRYHDFNQJJYDSY-UHFFFAOYSA-N 1 1 463.872 4.371 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165021459 721824208 /nfs/dbraw/zinc/82/42/08/721824208.db2.gz FRKIWECGOFZNES-BPLDGKMQSA-N 1 1 470.883 4.189 20 5 JIBDMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027758 721826402 /nfs/dbraw/zinc/82/64/02/721826402.db2.gz TYPNOWBHGHECDV-TUACAJSNSA-N 1 1 458.566 4.492 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)CC3)C2)cc1 ZINC001164940622 721932207 /nfs/dbraw/zinc/93/22/07/721932207.db2.gz UUDQGGHQIFHKNC-UHFFFAOYSA-N 1 1 459.550 4.232 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001315717030 1065007139 /nfs/dbraw/zinc/00/71/39/1065007139.db2.gz LCHMGVWEHSWPPD-WMZHIEFXSA-N 1 1 470.618 4.369 20 5 JIBDMO Cc1cccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2CC(C)(C)[NH+]2CCOCC2)n1 ZINC001492504459 1066321845 /nfs/dbraw/zinc/32/18/45/1066321845.db2.gz WVKNBIAJAVUMHU-UHFFFAOYSA-N 1 1 493.612 4.083 20 5 JIBDMO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1 ZINC001351116947 1067048077 /nfs/dbraw/zinc/04/80/77/1067048077.db2.gz GDNIBNAKJNIKNZ-HXUWFJFHSA-N 1 1 463.376 4.246 20 5 JIBDMO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC001354728135 1067064520 /nfs/dbraw/zinc/06/45/20/1067064520.db2.gz MPABAMLMNSKIKW-REWPJTCUSA-N 1 1 450.583 4.472 20 5 JIBDMO CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001300732484 1067171701 /nfs/dbraw/zinc/17/17/01/1067171701.db2.gz RYEYBTBUNAEWGQ-JTHBVZDNSA-N 1 1 470.618 4.225 20 5 JIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752621 720883503 /nfs/dbraw/zinc/88/35/03/720883503.db2.gz FLUVYGNBMXMQPG-HYBUGGRVSA-N 1 1 471.989 4.102 20 5 JIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752613 720883558 /nfs/dbraw/zinc/88/35/58/720883558.db2.gz FLUVYGNBMXMQPG-GBXCKJPGSA-N 1 1 471.989 4.102 20 5 JIBDMO O=[N+]([O-])c1cccc2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc21 ZINC001164749897 720887775 /nfs/dbraw/zinc/88/77/75/720887775.db2.gz AVXCLIXFUGQOKX-WXVAWEFUSA-N 1 1 473.577 4.293 20 5 JIBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)[C@H]2C ZINC001164863066 721014541 /nfs/dbraw/zinc/01/45/41/721014541.db2.gz SQPYYNFTSJZFBR-HNNXBMFYSA-N 1 1 455.950 4.323 20 5 JIBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164785866 721459187 /nfs/dbraw/zinc/45/91/87/721459187.db2.gz OEXQQNFZRSIQQZ-MRXNPFEDSA-N 1 1 473.401 4.031 20 5 JIBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164788749 721468679 /nfs/dbraw/zinc/46/86/79/721468679.db2.gz JJBFUZZEDPPVBW-XMMPIXPASA-N 1 1 495.624 4.094 20 5 JIBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907495 721693716 /nfs/dbraw/zinc/69/37/16/721693716.db2.gz UQTDJBZXZBUMHO-GOSISDBHSA-N 1 1 473.858 4.321 20 5 JIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904931 721695322 /nfs/dbraw/zinc/69/53/22/721695322.db2.gz HRPXTRVFPUXYMR-GOSISDBHSA-N 1 1 458.296 4.429 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164912904 721730645 /nfs/dbraw/zinc/73/06/45/721730645.db2.gz QYGHSEGPUZMHRJ-QHCPKHFHSA-N 1 1 466.492 4.185 20 5 JIBDMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027743 721826257 /nfs/dbraw/zinc/82/62/57/721826257.db2.gz TYPNOWBHGHECDV-NKKJXINNSA-N 1 1 458.566 4.492 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001165020654 721828591 /nfs/dbraw/zinc/82/85/91/721828591.db2.gz DBEHGDPXJNBCLF-KKLQWCBXSA-N 1 1 462.529 4.323 20 5 JIBDMO CCc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164963472 722060829 /nfs/dbraw/zinc/06/08/29/722060829.db2.gz ZMSXGQUTVHSKPP-UHFFFAOYSA-N 1 1 488.592 4.128 20 5 JIBDMO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164964503 722061875 /nfs/dbraw/zinc/06/18/75/722061875.db2.gz HEMGZIBVOQFRGE-UHFFFAOYSA-N 1 1 467.957 4.310 20 5 JIBDMO CC(C)=CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001359607293 1070068961 /nfs/dbraw/zinc/06/89/61/1070068961.db2.gz KMYHNXSPQAQMBV-UHFFFAOYSA-N 1 1 456.591 4.004 20 5 JIBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC001473302707 1067890610 /nfs/dbraw/zinc/89/06/10/1067890610.db2.gz VWVWKAVFLPOIBB-FDQGKXFDSA-N 1 1 454.365 4.483 20 5 JIBDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001354140573 1068928136 /nfs/dbraw/zinc/92/81/36/1068928136.db2.gz MRUXFQAKCMORDG-FQEVSTJZSA-N 1 1 459.550 4.279 20 5 JIBDMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849555036 1069199475 /nfs/dbraw/zinc/19/94/75/1069199475.db2.gz UVYRNLUJHVIYAX-DQEYMECFSA-N 1 1 461.566 4.376 20 5 JIBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164693729 719814194 /nfs/dbraw/zinc/81/41/94/719814194.db2.gz YLFWWPKZVFIGOW-UHFFFAOYSA-N 1 1 476.912 4.457 20 5 JIBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164695337 719889069 /nfs/dbraw/zinc/88/90/69/719889069.db2.gz OLDBTTPQQVWCOB-UHFFFAOYSA-N 1 1 458.918 4.121 20 5 JIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164724839 720485534 /nfs/dbraw/zinc/48/55/34/720485534.db2.gz IIJQDPIGKGCDBH-NHCUHLMSSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164724839 720485536 /nfs/dbraw/zinc/48/55/36/720485536.db2.gz IIJQDPIGKGCDBH-NHCUHLMSSA-N 1 1 486.910 4.498 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164841847 720676995 /nfs/dbraw/zinc/67/69/95/720676995.db2.gz JLNGDDCUIOMMPQ-GOSISDBHSA-N 1 1 467.957 4.451 20 5 JIBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755154 720905035 /nfs/dbraw/zinc/90/50/35/720905035.db2.gz ZDEYYEWOBLUHEY-YIXXDRMTSA-N 1 1 473.577 4.293 20 5 JIBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5ccccc5cc4COc4ccccc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164764950 721243939 /nfs/dbraw/zinc/24/39/39/721243939.db2.gz QLKVBXBPFYFKBA-LADGPHEKSA-N 1 1 498.587 4.414 20 5 JIBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5ccccc5cc4COc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164764966 721244405 /nfs/dbraw/zinc/24/44/05/721244405.db2.gz QLKVBXBPFYFKBA-VWNXMTODSA-N 1 1 498.587 4.414 20 5 JIBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)C3)O2)CC1 ZINC001164883876 721414303 /nfs/dbraw/zinc/41/43/03/721414303.db2.gz CEJHXDNHUPKADI-LVXARBLLSA-N 1 1 466.029 4.202 20 5 JIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164796675 721504415 /nfs/dbraw/zinc/50/44/15/721504415.db2.gz VVOBRCAHIQYMPR-UHFFFAOYSA-N 1 1 452.946 4.467 20 5 JIBDMO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906685 721695355 /nfs/dbraw/zinc/69/53/55/721695355.db2.gz OMUYNYZPCBELEC-OAQYLSRUSA-N 1 1 474.899 4.324 20 5 JIBDMO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1[N+](=O)[O-] ZINC001164905719 721718175 /nfs/dbraw/zinc/71/81/75/721718175.db2.gz IXKAJVJFYXDOEL-XMMPIXPASA-N 1 1 480.519 4.493 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001164912289 721763277 /nfs/dbraw/zinc/76/32/77/721763277.db2.gz XMRDOCWUMGXTAD-UHFFFAOYSA-N 1 1 456.506 4.235 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001164912289 721763278 /nfs/dbraw/zinc/76/32/78/721763278.db2.gz XMRDOCWUMGXTAD-UHFFFAOYSA-N 1 1 456.506 4.235 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21 ZINC001165017736 721805824 /nfs/dbraw/zinc/80/58/24/721805824.db2.gz AGRNZNOMZUXDRM-HYVNUMGLSA-N 1 1 451.905 4.320 20 5 JIBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165020445 721840838 /nfs/dbraw/zinc/84/08/38/721840838.db2.gz JFGVZCRTSMEQSX-UHFFFAOYSA-N 1 1 455.342 4.415 20 5 JIBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545956 1069321338 /nfs/dbraw/zinc/32/13/38/1069321338.db2.gz SLZQOEJJQCAIKN-QGZVFWFLSA-N 1 1 451.445 4.130 20 5 JIBDMO C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2=CCCCC2)C[C@H](C)O1 ZINC001316504102 1066473442 /nfs/dbraw/zinc/47/34/42/1066473442.db2.gz SUVLJIXTSSLRHI-BGYRXZFFSA-N 1 1 468.602 4.289 20 5 JIBDMO C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2=CCCCC2)C[C@H](C)O1 ZINC001316504102 1066473449 /nfs/dbraw/zinc/47/34/49/1066473449.db2.gz SUVLJIXTSSLRHI-BGYRXZFFSA-N 1 1 468.602 4.289 20 5 JIBDMO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC001354728129 1067064583 /nfs/dbraw/zinc/06/45/83/1067064583.db2.gz MPABAMLMNSKIKW-NFBKMPQASA-N 1 1 450.583 4.472 20 5 JIBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001357203519 1067817988 /nfs/dbraw/zinc/81/79/88/1067817988.db2.gz MCPQDDHZSBTSEW-JOCHJYFZSA-N 1 1 450.564 4.374 20 5 JIBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001357203519 1067817991 /nfs/dbraw/zinc/81/79/91/1067817991.db2.gz MCPQDDHZSBTSEW-JOCHJYFZSA-N 1 1 450.564 4.374 20 5 JIBDMO C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357781208 1067898981 /nfs/dbraw/zinc/89/89/81/1067898981.db2.gz PCERHLDCNLPWFS-NZQKXSOJSA-N 1 1 450.583 4.472 20 5 JIBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cnc1Cl ZINC001164696056 719886919 /nfs/dbraw/zinc/88/69/19/719886919.db2.gz VQWYZXQAUAIGIO-UHFFFAOYSA-N 1 1 458.918 4.121 20 5 JIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164724843 720485501 /nfs/dbraw/zinc/48/55/01/720485501.db2.gz IIJQDPIGKGCDBH-SFTDATJTSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)cc1 ZINC001164724843 720485509 /nfs/dbraw/zinc/48/55/09/720485509.db2.gz IIJQDPIGKGCDBH-SFTDATJTSA-N 1 1 486.910 4.498 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838793 720607321 /nfs/dbraw/zinc/60/73/21/720607321.db2.gz LXIMHLVULUHAEX-PLMTUMEDSA-N 1 1 454.962 4.371 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164837584 720643600 /nfs/dbraw/zinc/64/36/00/720643600.db2.gz DEPPAIDOAHXBQA-HBFSDRIKSA-N 1 1 454.962 4.371 20 5 JIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751638 720880790 /nfs/dbraw/zinc/88/07/90/720880790.db2.gz LNQLUALNQQRVJV-JPYJTQIMSA-N 1 1 492.407 4.447 20 5 JIBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755151 720906103 /nfs/dbraw/zinc/90/61/03/720906103.db2.gz ZDEYYEWOBLUHEY-HOFKKMOUSA-N 1 1 473.577 4.293 20 5 JIBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Oc5ccnc(Cl)c5)c(F)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772295 721133746 /nfs/dbraw/zinc/13/37/46/721133746.db2.gz VJLIEMALTRGTMH-IAGOWNOFSA-N 1 1 486.935 4.266 20 5 JIBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164777322 721348499 /nfs/dbraw/zinc/34/84/99/721348499.db2.gz GHSXQZXDWZXGTN-FQEVSTJZSA-N 1 1 470.357 4.020 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164777322 721348504 /nfs/dbraw/zinc/34/85/04/721348504.db2.gz GHSXQZXDWZXGTN-FQEVSTJZSA-N 1 1 470.357 4.020 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]12 ZINC001164808848 721579889 /nfs/dbraw/zinc/57/98/89/721579889.db2.gz QWBRQUIRAJPLRH-KJXAQDMKSA-N 1 1 453.930 4.060 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164939556 721931160 /nfs/dbraw/zinc/93/11/60/721931160.db2.gz MKGLXENVJQZGLI-UHFFFAOYSA-N 1 1 485.894 4.237 20 5 JIBDMO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc21 ZINC001164964540 722057170 /nfs/dbraw/zinc/05/71/70/722057170.db2.gz VKIGHCHXWYPSLM-UHFFFAOYSA-N 1 1 467.957 4.310 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1(C)C ZINC001300793554 1067365479 /nfs/dbraw/zinc/36/54/79/1067365479.db2.gz GHMZLJPQVJJIQC-DENIHFKCSA-N 1 1 470.618 4.083 20 5 JIBDMO C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001357781213 1067898823 /nfs/dbraw/zinc/89/88/23/1067898823.db2.gz PCERHLDCNLPWFS-REWPJTCUSA-N 1 1 450.583 4.472 20 5 JIBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001353716512 1068503139 /nfs/dbraw/zinc/50/31/39/1068503139.db2.gz ZHHXVCUBHHWDTQ-OAHLLOKOSA-N 1 1 453.486 4.439 20 5 JIBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001353716512 1068503148 /nfs/dbraw/zinc/50/31/48/1068503148.db2.gz ZHHXVCUBHHWDTQ-OAHLLOKOSA-N 1 1 453.486 4.439 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164732279 720486122 /nfs/dbraw/zinc/48/61/22/720486122.db2.gz YZEZNVHMESAXIV-SFTDATJTSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164732279 720486124 /nfs/dbraw/zinc/48/61/24/720486124.db2.gz YZEZNVHMESAXIV-SFTDATJTSA-N 1 1 486.910 4.498 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164841848 720676618 /nfs/dbraw/zinc/67/66/18/720676618.db2.gz JLNGDDCUIOMMPQ-SFHVURJKSA-N 1 1 467.957 4.451 20 5 JIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754036 720897866 /nfs/dbraw/zinc/89/78/66/720897866.db2.gz IJWJYWVMGDZKLX-YIXXDRMTSA-N 1 1 473.577 4.293 20 5 JIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164795006 721500915 /nfs/dbraw/zinc/50/09/15/721500915.db2.gz AAIKTFVKGCDSGK-UHFFFAOYSA-N 1 1 470.883 4.333 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]21 ZINC001165026761 721831838 /nfs/dbraw/zinc/83/18/38/721831838.db2.gz QAZJXTUKNIKIAS-RYGJVYDSSA-N 1 1 452.946 4.323 20 5 JIBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055812 722013172 /nfs/dbraw/zinc/01/31/72/722013172.db2.gz LLFPSOFOJBGWNU-UHFFFAOYSA-N 1 1 457.893 4.334 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[C@H]1C ZINC001315713654 1064999743 /nfs/dbraw/zinc/99/97/43/1064999743.db2.gz BZVOLMLCZOQQET-OOICKAIWSA-N 1 1 484.645 4.473 20 5 JIBDMO CSCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001316461558 1066357595 /nfs/dbraw/zinc/35/75/95/1066357595.db2.gz ITBKZCCQJOYFQU-UHFFFAOYSA-N 1 1 472.640 4.380 20 5 JIBDMO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001200853010 1067359873 /nfs/dbraw/zinc/35/98/73/1067359873.db2.gz BTQQDXXVSOUZTO-UHFFFAOYSA-N 1 1 456.724 4.446 20 5 JIBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001357778720 1067898350 /nfs/dbraw/zinc/89/83/50/1067898350.db2.gz ITYMRMLJDPJCKD-KRWDZBQOSA-N 1 1 450.564 4.445 20 5 JIBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001357778720 1067898353 /nfs/dbraw/zinc/89/83/53/1067898353.db2.gz ITYMRMLJDPJCKD-KRWDZBQOSA-N 1 1 450.564 4.445 20 5 JIBDMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849555037 1069199753 /nfs/dbraw/zinc/19/97/53/1069199753.db2.gz UVYRNLUJHVIYAX-JWQCQUIFSA-N 1 1 461.566 4.376 20 5 JIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164707349 719910196 /nfs/dbraw/zinc/91/01/96/719910196.db2.gz QDFSRAZMBNWAKG-UHFFFAOYSA-N 1 1 459.959 4.124 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164711107 720106229 /nfs/dbraw/zinc/10/62/29/720106229.db2.gz OJDJVAVTBNZELE-KRWDZBQOSA-N 1 1 481.931 4.091 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164712176 720147339 /nfs/dbraw/zinc/14/73/39/720147339.db2.gz KRORFLHEFZXQOI-DEOSSOPVSA-N 1 1 488.592 4.263 20 5 JIBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ccc4ccc(Cl)nc4c3n1)CCC2 ZINC001164814764 720225962 /nfs/dbraw/zinc/22/59/62/720225962.db2.gz YVRIHWWGZZRRCU-UHFFFAOYSA-N 1 1 462.985 4.244 20 5 JIBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840931 720665470 /nfs/dbraw/zinc/66/54/70/720665470.db2.gz NYVPJAVRKMYUMX-INIZCTEOSA-N 1 1 463.991 4.020 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164841624 720713275 /nfs/dbraw/zinc/71/32/75/720713275.db2.gz VDRXJJCXDGLOQE-HNNXBMFYSA-N 1 1 485.894 4.317 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164837090 720719231 /nfs/dbraw/zinc/71/92/31/720719231.db2.gz DGQIILQIAQEKAK-NRFANRHFSA-N 1 1 459.550 4.312 20 5 JIBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755153 720905208 /nfs/dbraw/zinc/90/52/08/720905208.db2.gz ZDEYYEWOBLUHEY-WNCULLNHSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907496 721694113 /nfs/dbraw/zinc/69/41/13/721694113.db2.gz UQTDJBZXZBUMHO-SFHVURJKSA-N 1 1 473.858 4.321 20 5 JIBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908373 721696326 /nfs/dbraw/zinc/69/63/26/721696326.db2.gz YOMUIVHCSGLXLY-SFHVURJKSA-N 1 1 473.858 4.321 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001165021378 721807777 /nfs/dbraw/zinc/80/77/77/721807777.db2.gz GOKJESWPESJIQZ-UCLAIMLFSA-N 1 1 451.905 4.320 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001165021376 721807840 /nfs/dbraw/zinc/80/78/40/721807840.db2.gz GOKJESWPESJIQZ-POZUXBRTSA-N 1 1 451.905 4.320 20 5 JIBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545479 1069320635 /nfs/dbraw/zinc/32/06/35/1069320635.db2.gz MQXKADVEDPJMDI-QGZVFWFLSA-N 1 1 453.436 4.189 20 5 JIBDMO COCCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001315957597 1065506419 /nfs/dbraw/zinc/50/64/19/1065506419.db2.gz SEUFVEHFFAZSEP-UHFFFAOYSA-N 1 1 470.618 4.371 20 5 JIBDMO CS[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001316387315 1066159006 /nfs/dbraw/zinc/15/90/06/1066159006.db2.gz HXUWWCPPMRHVRH-HXUWFJFHSA-N 1 1 490.674 4.178 20 5 JIBDMO CS[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001316387315 1066159007 /nfs/dbraw/zinc/15/90/07/1066159007.db2.gz HXUWWCPPMRHVRH-HXUWFJFHSA-N 1 1 490.674 4.178 20 5 JIBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC001475041225 1067320257 /nfs/dbraw/zinc/32/02/57/1067320257.db2.gz YQSPWNNFINKCEK-OAHLLOKOSA-N 1 1 452.747 4.136 20 5 JIBDMO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1(C)C ZINC001300793566 1067365505 /nfs/dbraw/zinc/36/55/05/1067365505.db2.gz GHMZLJPQVJJIQC-UGKGYDQZSA-N 1 1 470.618 4.083 20 5 JIBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001355878939 1067596960 /nfs/dbraw/zinc/59/69/60/1067596960.db2.gz OTXLGZZGOPPPEO-UHFFFAOYSA-N 1 1 454.324 4.469 20 5 JIBDMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001356086792 1067654112 /nfs/dbraw/zinc/65/41/12/1067654112.db2.gz JXUGFMIDBVOURU-UHFFFAOYSA-N 1 1 454.271 4.030 20 5 JIBDMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001356092193 1067658285 /nfs/dbraw/zinc/65/82/85/1067658285.db2.gz XJHGCOUTENWYRR-RTWAWAEBSA-N 1 1 458.356 4.242 20 5 JIBDMO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC001356261847 1067709841 /nfs/dbraw/zinc/70/98/41/1067709841.db2.gz LKZFVAVHJOVISO-UHFFFAOYSA-N 1 1 454.527 4.367 20 5 JIBDMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1C ZINC001357907536 1067938600 /nfs/dbraw/zinc/93/86/00/1067938600.db2.gz WLSASQHSNVOXTR-BGYRXZFFSA-N 1 1 453.583 4.198 20 5 JIBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001358040260 1068001109 /nfs/dbraw/zinc/00/11/09/1068001109.db2.gz RMPIHRGIHQPTNF-RNODOKPDSA-N 1 1 452.889 4.015 20 5 JIBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001358040260 1068001123 /nfs/dbraw/zinc/00/11/23/1068001123.db2.gz RMPIHRGIHQPTNF-RNODOKPDSA-N 1 1 452.889 4.015 20 5 JIBDMO CC(C)CCSc1ccc(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC001300568074 1069065040 /nfs/dbraw/zinc/06/50/40/1069065040.db2.gz WVBUANMUACIMNG-OAQYLSRUSA-N 1 1 457.596 4.230 20 5 JIBDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000849565846 1069216251 /nfs/dbraw/zinc/21/62/51/1069216251.db2.gz WSUDJMBTGYMQJT-DLBZAZTESA-N 1 1 457.581 4.215 20 5 JIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)ccc1F ZINC001164707318 719905173 /nfs/dbraw/zinc/90/51/73/719905173.db2.gz PGAIPKJFTSCQNF-UHFFFAOYSA-N 1 1 469.542 4.124 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164711505 720106279 /nfs/dbraw/zinc/10/62/79/720106279.db2.gz QBEBKJSTLGKAIM-QFIPXVFZSA-N 1 1 461.566 4.354 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164714908 720108109 /nfs/dbraw/zinc/10/81/09/720108109.db2.gz FBYHNSRYCYRBCV-MRXNPFEDSA-N 1 1 466.369 4.199 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164842769 720674481 /nfs/dbraw/zinc/67/44/81/720674481.db2.gz UDMZZRBIYYKVBX-QGZVFWFLSA-N 1 1 466.916 4.448 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164836137 720730131 /nfs/dbraw/zinc/73/01/31/720730131.db2.gz BDFUKUJCFGFELK-IBGZPJMESA-N 1 1 467.957 4.451 20 5 JIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751610 720880727 /nfs/dbraw/zinc/88/07/27/720880727.db2.gz LNQLUALNQQRVJV-FDDCHVKYSA-N 1 1 492.407 4.447 20 5 JIBDMO O=[N+]([O-])c1cccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164758762 720886975 /nfs/dbraw/zinc/88/69/75/720886975.db2.gz ZCZPKBMGNQWUNU-HOFKKMOUSA-N 1 1 473.577 4.293 20 5 JIBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164786287 721471499 /nfs/dbraw/zinc/47/14/99/721471499.db2.gz AOLMQFPHACVSRR-QHCPKHFHSA-N 1 1 480.609 4.391 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164907877 721749550 /nfs/dbraw/zinc/74/95/50/721749550.db2.gz CBKBWSPKDXXVDV-UHFFFAOYSA-N 1 1 463.872 4.371 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164907877 721749556 /nfs/dbraw/zinc/74/95/56/721749556.db2.gz CBKBWSPKDXXVDV-UHFFFAOYSA-N 1 1 463.872 4.371 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001164907931 721749614 /nfs/dbraw/zinc/74/96/14/721749614.db2.gz DMBFSIDJOXXJPF-UHFFFAOYSA-N 1 1 464.913 4.374 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2 ZINC001164907931 721749617 /nfs/dbraw/zinc/74/96/17/721749617.db2.gz DMBFSIDJOXXJPF-UHFFFAOYSA-N 1 1 464.913 4.374 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001165024508 721806897 /nfs/dbraw/zinc/80/68/97/721806897.db2.gz LKJNWEVUUXZWFZ-PAXLWEDBSA-N 1 1 452.946 4.323 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001165024511 721806920 /nfs/dbraw/zinc/80/69/20/721806920.db2.gz LKJNWEVUUXZWFZ-QFIXIFRTSA-N 1 1 452.946 4.323 20 5 JIBDMO COCCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001315957797 1065506889 /nfs/dbraw/zinc/50/68/89/1065506889.db2.gz VTILPOCITXLGPH-IBGZPJMESA-N 1 1 470.618 4.227 20 5 JIBDMO CS[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001316387314 1066158955 /nfs/dbraw/zinc/15/89/55/1066158955.db2.gz HXUWWCPPMRHVRH-FQEVSTJZSA-N 1 1 490.674 4.178 20 5 JIBDMO CS[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC001316387314 1066158958 /nfs/dbraw/zinc/15/89/58/1066158958.db2.gz HXUWWCPPMRHVRH-FQEVSTJZSA-N 1 1 490.674 4.178 20 5 JIBDMO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001317989089 1066835220 /nfs/dbraw/zinc/83/52/20/1066835220.db2.gz CMODJKDSSACNEL-UHFFFAOYSA-N 1 1 450.461 4.392 20 5 JIBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001351237983 1067063334 /nfs/dbraw/zinc/06/33/34/1067063334.db2.gz VLBXYIGJQJXCAL-HXUWFJFHSA-N 1 1 456.568 4.189 20 5 JIBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC001351237983 1067063351 /nfs/dbraw/zinc/06/33/51/1067063351.db2.gz VLBXYIGJQJXCAL-HXUWFJFHSA-N 1 1 456.568 4.189 20 5 JIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)cc1 ZINC001354529237 1069303583 /nfs/dbraw/zinc/30/35/83/1069303583.db2.gz JLQPVZQLTXFQGZ-HNNXBMFYSA-N 1 1 458.465 4.046 20 5 JIBDMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)CC2 ZINC001164693165 719758832 /nfs/dbraw/zinc/75/88/32/719758832.db2.gz XUGWRMISJNPDPJ-UHFFFAOYSA-N 1 1 493.942 4.036 20 5 JIBDMO Cc1ccc(-c2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nn2)cc1[N+](=O)[O-] ZINC001164698177 719895961 /nfs/dbraw/zinc/89/59/61/719895961.db2.gz PIAHPETUZOZEMH-UHFFFAOYSA-N 1 1 465.579 4.293 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164711498 720106513 /nfs/dbraw/zinc/10/65/13/720106513.db2.gz QBEBKJSTLGKAIM-JOCHJYFZSA-N 1 1 461.566 4.354 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164712180 720146607 /nfs/dbraw/zinc/14/66/07/720146607.db2.gz KRORFLHEFZXQOI-XMMPIXPASA-N 1 1 488.592 4.263 20 5 JIBDMO Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)nc3c2n1 ZINC001164741883 720830556 /nfs/dbraw/zinc/83/05/56/720830556.db2.gz OYQVZQSEFLMIQY-BHIFYINESA-N 1 1 474.012 4.407 20 5 JIBDMO Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@H+]5CC5CC5)C4)nc3c2n1 ZINC001164741886 720830927 /nfs/dbraw/zinc/83/09/27/720830927.db2.gz OYQVZQSEFLMIQY-FDFHNCONSA-N 1 1 474.012 4.407 20 5 JIBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164755925 720883576 /nfs/dbraw/zinc/88/35/76/720883576.db2.gz NIHRORYGHGXVAB-WNCULLNHSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc21 ZINC001164758101 720886360 /nfs/dbraw/zinc/88/63/60/720886360.db2.gz WUTMLBFMNSHOSA-AMGIVPHBSA-N 1 1 473.577 4.293 20 5 JIBDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@H]2C1 ZINC001164855995 720892656 /nfs/dbraw/zinc/89/26/56/720892656.db2.gz FDNUPKGYYBZZFL-UWJYYQICSA-N 1 1 496.942 4.029 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC001164780686 721368227 /nfs/dbraw/zinc/36/82/27/721368227.db2.gz GMTCKANXDJBXES-SANMLTNESA-N 1 1 492.580 4.084 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164808852 721579705 /nfs/dbraw/zinc/57/97/05/721579705.db2.gz QWBRQUIRAJPLRH-WPYKKVEZSA-N 1 1 453.930 4.060 20 5 JIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)ccc1F ZINC001164913827 721732476 /nfs/dbraw/zinc/73/24/76/721732476.db2.gz YNZLKWXIHFYDFM-QHCPKHFHSA-N 1 1 484.482 4.324 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001165024503 721807063 /nfs/dbraw/zinc/80/70/63/721807063.db2.gz LKJNWEVUUXZWFZ-MFMILTCTSA-N 1 1 452.946 4.323 20 5 JIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351776753 1067201847 /nfs/dbraw/zinc/20/18/47/1067201847.db2.gz PDFWTAFHQXJHEU-UHFFFAOYSA-N 1 1 451.445 4.360 20 5 JIBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351776753 1067201874 /nfs/dbraw/zinc/20/18/74/1067201874.db2.gz PDFWTAFHQXJHEU-UHFFFAOYSA-N 1 1 451.445 4.360 20 5 JIBDMO COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1SC ZINC001322449242 1067294507 /nfs/dbraw/zinc/29/45/07/1067294507.db2.gz LIYGLALGMJSMSX-UHFFFAOYSA-N 1 1 455.540 4.440 20 5 JIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001355894101 1067600036 /nfs/dbraw/zinc/60/00/36/1067600036.db2.gz CSSTYFVFXVNZQC-LPHOPBHVSA-N 1 1 456.568 4.274 20 5 JIBDMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001356092191 1067657984 /nfs/dbraw/zinc/65/79/84/1067657984.db2.gz XJHGCOUTENWYRR-NHCUHLMSSA-N 1 1 458.356 4.242 20 5 JIBDMO C[C@H](c1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1)[NH+]1CCOCC1 ZINC001200123079 1067687292 /nfs/dbraw/zinc/68/72/92/1067687292.db2.gz XLKAWQLQFWVOJO-CQSZACIVSA-N 1 1 452.433 4.329 20 5 JIBDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001356380047 1067740641 /nfs/dbraw/zinc/74/06/41/1067740641.db2.gz ZPDUKHFISRMJOQ-UIAACRFSSA-N 1 1 454.502 4.289 20 5 JIBDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001356380047 1067740651 /nfs/dbraw/zinc/74/06/51/1067740651.db2.gz ZPDUKHFISRMJOQ-UIAACRFSSA-N 1 1 454.502 4.289 20 5 JIBDMO C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC001357779435 1067898672 /nfs/dbraw/zinc/89/86/72/1067898672.db2.gz LOUDSFCBKAPSFA-FGTMMUONSA-N 1 1 456.612 4.315 20 5 JIBDMO C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC001357779435 1067898673 /nfs/dbraw/zinc/89/86/73/1067898673.db2.gz LOUDSFCBKAPSFA-FGTMMUONSA-N 1 1 456.612 4.315 20 5 JIBDMO CC(C)[N@H+]1CC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849555038 1069199547 /nfs/dbraw/zinc/19/95/47/1069199547.db2.gz UVYRNLUJHVIYAX-LOSJGSFVSA-N 1 1 461.566 4.376 20 5 JIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164694751 719889641 /nfs/dbraw/zinc/88/96/41/719889641.db2.gz FCFKXXITNOERAT-UHFFFAOYSA-N 1 1 459.959 4.124 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164718029 720114833 /nfs/dbraw/zinc/11/48/33/720114833.db2.gz QNEFZJFPLFGQOJ-MRXNPFEDSA-N 1 1 466.369 4.199 20 5 JIBDMO CCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164842188 720620503 /nfs/dbraw/zinc/62/05/03/720620503.db2.gz UIMQCQFXKJCYCO-NKKJXINNSA-N 1 1 475.597 4.189 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164840443 720662451 /nfs/dbraw/zinc/66/24/51/720662451.db2.gz MNHDHCAESRJSEA-GOSISDBHSA-N 1 1 466.916 4.448 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164837092 720718133 /nfs/dbraw/zinc/71/81/33/720718133.db2.gz DGQIILQIAQEKAK-OAQYLSRUSA-N 1 1 459.550 4.312 20 5 JIBDMO O=[N+]([O-])c1ccc2ccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164755924 720883376 /nfs/dbraw/zinc/88/33/76/720883376.db2.gz NIHRORYGHGXVAB-KCWPFWIISA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc21 ZINC001164758103 720886111 /nfs/dbraw/zinc/88/61/11/720886111.db2.gz WUTMLBFMNSHOSA-CUNXSJBXSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754028 720898003 /nfs/dbraw/zinc/89/80/03/720898003.db2.gz IJWJYWVMGDZKLX-HOFKKMOUSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754030 720898176 /nfs/dbraw/zinc/89/81/76/720898176.db2.gz IJWJYWVMGDZKLX-KCWPFWIISA-N 1 1 473.577 4.293 20 5 JIBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164769367 721201468 /nfs/dbraw/zinc/20/14/68/721201468.db2.gz MDVSKMCNTAEIRC-VQTJNVASSA-N 1 1 489.605 4.267 20 5 JIBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5ccccc5cc4COc4ccccc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164764937 721244249 /nfs/dbraw/zinc/24/42/49/721244249.db2.gz QLKVBXBPFYFKBA-ISKFKSNPSA-N 1 1 498.587 4.414 20 5 JIBDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)CC2 ZINC001164874056 721327526 /nfs/dbraw/zinc/32/75/26/721327526.db2.gz GCEYNCLVAAQUQV-UHFFFAOYSA-N 1 1 465.888 4.490 20 5 JIBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993788 722208385 /nfs/dbraw/zinc/20/83/85/722208385.db2.gz BMRNQCDZBVWRFX-GOSISDBHSA-N 1 1 459.831 4.441 20 5 JIBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993788 722208386 /nfs/dbraw/zinc/20/83/86/722208386.db2.gz BMRNQCDZBVWRFX-GOSISDBHSA-N 1 1 459.831 4.441 20 5 JIBDMO COCC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)c2cccs2)C[C@@H]1C ZINC001316123249 1065790129 /nfs/dbraw/zinc/79/01/29/1065790129.db2.gz UFFHOFVERQEKGZ-SFHVURJKSA-N 1 1 484.626 4.050 20 5 JIBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1SC ZINC001354902497 1067268924 /nfs/dbraw/zinc/26/89/24/1067268924.db2.gz ZYOQPBPNBJRXEZ-XMMPIXPASA-N 1 1 455.580 4.454 20 5 JIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001355894095 1067599995 /nfs/dbraw/zinc/59/99/95/1067599995.db2.gz CSSTYFVFXVNZQC-APWZRJJASA-N 1 1 456.568 4.274 20 5 JIBDMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001356092195 1067658122 /nfs/dbraw/zinc/65/81/22/1067658122.db2.gz XJHGCOUTENWYRR-SFTDATJTSA-N 1 1 458.356 4.242 20 5 JIBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001357203520 1067818063 /nfs/dbraw/zinc/81/80/63/1067818063.db2.gz MCPQDDHZSBTSEW-QFIPXVFZSA-N 1 1 450.564 4.374 20 5 JIBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001357203520 1067818064 /nfs/dbraw/zinc/81/80/64/1067818064.db2.gz MCPQDDHZSBTSEW-QFIPXVFZSA-N 1 1 450.564 4.374 20 5 JIBDMO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164756539 720882231 /nfs/dbraw/zinc/88/22/31/720882231.db2.gz QDXPFMCRLHXGGU-GBXCKJPGSA-N 1 1 471.989 4.102 20 5 JIBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752627 720883804 /nfs/dbraw/zinc/88/38/04/720883804.db2.gz FLUVYGNBMXMQPG-YKSBVNFPSA-N 1 1 471.989 4.102 20 5 JIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753231 720886924 /nfs/dbraw/zinc/88/69/24/720886924.db2.gz GGHYQSHVFRPWBB-FDDCHVKYSA-N 1 1 492.407 4.447 20 5 JIBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164769361 721202317 /nfs/dbraw/zinc/20/23/17/721202317.db2.gz MDVSKMCNTAEIRC-UXHICEINSA-N 1 1 489.605 4.267 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC001164780680 721368785 /nfs/dbraw/zinc/36/87/85/721368785.db2.gz GMTCKANXDJBXES-AREMUKBSSA-N 1 1 492.580 4.084 20 5 JIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164795851 721502633 /nfs/dbraw/zinc/50/26/33/721502633.db2.gz MAIKSTJNASFECX-UHFFFAOYSA-N 1 1 462.529 4.467 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938941 721923907 /nfs/dbraw/zinc/92/39/07/721923907.db2.gz CLXVQDWNEZDWDJ-UHFFFAOYSA-N 1 1 467.957 4.371 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC[C@H]1C ZINC001315714148 1065001316 /nfs/dbraw/zinc/00/13/16/1065001316.db2.gz CWOUQLFDXJFQNR-TXTKFYIRSA-N 1 1 470.618 4.083 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CCCOC(F)(F)F)c1 ZINC001316581706 1066596382 /nfs/dbraw/zinc/59/63/82/1066596382.db2.gz FNDCWJFWTTXDLJ-UHFFFAOYSA-N 1 1 496.515 4.164 20 5 JIBDMO COc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC001349160136 1066815756 /nfs/dbraw/zinc/81/57/56/1066815756.db2.gz AIASRKBKIAXMJH-UHFFFAOYSA-N 1 1 455.408 4.109 20 5 JIBDMO COc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC001349160136 1066815758 /nfs/dbraw/zinc/81/57/58/1066815758.db2.gz AIASRKBKIAXMJH-UHFFFAOYSA-N 1 1 455.408 4.109 20 5 JIBDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001356380046 1067740794 /nfs/dbraw/zinc/74/07/94/1067740794.db2.gz ZPDUKHFISRMJOQ-RYGJVYDSSA-N 1 1 454.502 4.289 20 5 JIBDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC001356380046 1067740803 /nfs/dbraw/zinc/74/08/03/1067740803.db2.gz ZPDUKHFISRMJOQ-RYGJVYDSSA-N 1 1 454.502 4.289 20 5 JIBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001357493614 1067858740 /nfs/dbraw/zinc/85/87/40/1067858740.db2.gz XGYFZUCACLNHTB-LOSJGSFVSA-N 1 1 459.546 4.444 20 5 JIBDMO CC(C)Cn1cc([C@@H]2[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000849479476 1069049604 /nfs/dbraw/zinc/04/96/04/1069049604.db2.gz QZACXQDPLZIRQT-DEOSSOPVSA-N 1 1 464.570 4.202 20 5 JIBDMO CC(C)Cn1cc([C@@H]2[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000849479476 1069049607 /nfs/dbraw/zinc/04/96/07/1069049607.db2.gz QZACXQDPLZIRQT-DEOSSOPVSA-N 1 1 464.570 4.202 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725789 720485422 /nfs/dbraw/zinc/48/54/22/720485422.db2.gz KEURUXCZTCOASA-SFTDATJTSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725789 720485423 /nfs/dbraw/zinc/48/54/23/720485423.db2.gz KEURUXCZTCOASA-SFTDATJTSA-N 1 1 486.910 4.498 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842163 720533985 /nfs/dbraw/zinc/53/39/85/720533985.db2.gz XAYFLIFXCZDOLO-FUHIMQAGSA-N 1 1 454.962 4.371 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838787 720607206 /nfs/dbraw/zinc/60/72/06/720607206.db2.gz LXIMHLVULUHAEX-DJPFJPOOSA-N 1 1 454.962 4.371 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164837654 720710287 /nfs/dbraw/zinc/71/02/87/720710287.db2.gz FUCDYXRBIXZXRD-QHCPKHFHSA-N 1 1 459.550 4.312 20 5 JIBDMO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867474 721089125 /nfs/dbraw/zinc/08/91/25/721089125.db2.gz YMDILMFIQPGIHL-MJGOQNOKSA-N 1 1 499.930 4.449 20 5 JIBDMO Cc1ccc(-c2nc3sccc3c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164769375 721202499 /nfs/dbraw/zinc/20/24/99/721202499.db2.gz MDVSKMCNTAEIRC-WOJBJXKFSA-N 1 1 489.605 4.267 20 5 JIBDMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164913155 721728219 /nfs/dbraw/zinc/72/82/19/721728219.db2.gz ULNHOTJHNZTQCQ-XMMPIXPASA-N 1 1 480.519 4.493 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164909975 721749762 /nfs/dbraw/zinc/74/97/62/721749762.db2.gz VWKQTVQKPGCYTG-UHFFFAOYSA-N 1 1 464.913 4.374 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001164909975 721749772 /nfs/dbraw/zinc/74/97/72/721749772.db2.gz VWKQTVQKPGCYTG-UHFFFAOYSA-N 1 1 464.913 4.374 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]21 ZINC001165026760 721831699 /nfs/dbraw/zinc/83/16/99/721831699.db2.gz QAZJXTUKNIKIAS-CWFSZBLJSA-N 1 1 452.946 4.323 20 5 JIBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165022718 721843922 /nfs/dbraw/zinc/84/39/22/721843922.db2.gz SPXFNOQBCJWZOK-UHFFFAOYSA-N 1 1 489.882 4.175 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)c1 ZINC001164968286 722078176 /nfs/dbraw/zinc/07/81/76/722078176.db2.gz ZWNWQRVQXUBGJW-KDURUIRLSA-N 1 1 464.900 4.155 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)cnc2Cl)c1 ZINC001164968286 722078177 /nfs/dbraw/zinc/07/81/77/722078177.db2.gz ZWNWQRVQXUBGJW-KDURUIRLSA-N 1 1 464.900 4.155 20 5 JIBDMO COc1ccc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001354545954 1069321401 /nfs/dbraw/zinc/32/14/01/1069321401.db2.gz SLQRMVVGCLUBSH-QGZVFWFLSA-N 1 1 451.445 4.130 20 5 JIBDMO CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(F)(F)F ZINC001359594418 1070041592 /nfs/dbraw/zinc/04/15/92/1070041592.db2.gz YWSDGIJDXWMLQL-KRWDZBQOSA-N 1 1 452.481 4.116 20 5 JIBDMO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001359701501 1070367837 /nfs/dbraw/zinc/36/78/37/1070367837.db2.gz VUKSMLVTVFEEJZ-FQEVSTJZSA-N 1 1 470.618 4.478 20 5 JIBDMO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001315717034 1065008255 /nfs/dbraw/zinc/00/82/55/1065008255.db2.gz LCHMGVWEHSWPPD-XXBNENTESA-N 1 1 470.618 4.369 20 5 JIBDMO COC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001315895104 1065360673 /nfs/dbraw/zinc/36/06/73/1065360673.db2.gz OFNGVOIMWOLVDI-RTWAWAEBSA-N 1 1 470.618 4.371 20 5 JIBDMO COCCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001315957798 1065507073 /nfs/dbraw/zinc/50/70/73/1065507073.db2.gz VTILPOCITXLGPH-LJQANCHMSA-N 1 1 470.618 4.227 20 5 JIBDMO Cn1cc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001318209673 1066960239 /nfs/dbraw/zinc/96/02/39/1066960239.db2.gz HBQBSSZNTBDISX-UHFFFAOYSA-N 1 1 459.510 4.110 20 5 JIBDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001351382038 1067087134 /nfs/dbraw/zinc/08/71/34/1067087134.db2.gz YTTJZUBPMXWZDG-YIXXDRMTSA-N 1 1 458.562 4.213 20 5 JIBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)C1 ZINC001321653484 1067190520 /nfs/dbraw/zinc/19/05/20/1067190520.db2.gz LBRHRUAQCWLQDO-IBGZPJMESA-N 1 1 482.968 4.495 20 5 JIBDMO COc1ccc(CSCC(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1[N+](=O)[O-] ZINC001322394528 1067286169 /nfs/dbraw/zinc/28/61/69/1067286169.db2.gz YAXJTPBSCUGSPD-UHFFFAOYSA-N 1 1 469.567 4.338 20 5 JIBDMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001356087386 1067654883 /nfs/dbraw/zinc/65/48/83/1067654883.db2.gz MXYXJLYGDNAGBP-UHFFFAOYSA-N 1 1 454.271 4.030 20 5 JIBDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)c1C ZINC001352780146 1067715760 /nfs/dbraw/zinc/71/57/60/1067715760.db2.gz JNIJYJGMVVXMPG-UHFFFAOYSA-N 1 1 458.584 4.074 20 5 JIBDMO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001356445541 1067754212 /nfs/dbraw/zinc/75/42/12/1067754212.db2.gz WNJUWASJDNFUAR-VQTJNVASSA-N 1 1 468.460 4.446 20 5 JIBDMO CC(C)Oc1cc(C(=O)N(C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC001300163577 1067820350 /nfs/dbraw/zinc/82/03/50/1067820350.db2.gz VENRALMWDVUTOY-KDURUIRLSA-N 1 1 455.555 4.263 20 5 JIBDMO C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC001357779441 1067898630 /nfs/dbraw/zinc/89/86/30/1067898630.db2.gz LOUDSFCBKAPSFA-KZNAEPCWSA-N 1 1 456.612 4.315 20 5 JIBDMO C[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC001357779441 1067898632 /nfs/dbraw/zinc/89/86/32/1067898632.db2.gz LOUDSFCBKAPSFA-KZNAEPCWSA-N 1 1 456.612 4.315 20 5 JIBDMO CC(C)[N@H+]1CC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849555039 1069201023 /nfs/dbraw/zinc/20/10/23/1069201023.db2.gz UVYRNLUJHVIYAX-RPBOFIJWSA-N 1 1 461.566 4.376 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691855 719804799 /nfs/dbraw/zinc/80/47/99/719804799.db2.gz KYUXODGRKKRMNH-UHFFFAOYSA-N 1 1 479.990 4.220 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164711109 720106796 /nfs/dbraw/zinc/10/67/96/720106796.db2.gz OJDJVAVTBNZELE-QGZVFWFLSA-N 1 1 481.931 4.091 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164718113 720108072 /nfs/dbraw/zinc/10/80/72/720108072.db2.gz RVQXUVOIGPEFDK-GOSISDBHSA-N 1 1 482.972 4.094 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164732276 720485746 /nfs/dbraw/zinc/48/57/46/720485746.db2.gz YZEZNVHMESAXIV-RTWAWAEBSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164732276 720485752 /nfs/dbraw/zinc/48/57/52/720485752.db2.gz YZEZNVHMESAXIV-RTWAWAEBSA-N 1 1 486.910 4.498 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839965 720645493 /nfs/dbraw/zinc/64/54/93/720645493.db2.gz LKJODKVWVXYHJU-ILWGZMRPSA-N 1 1 464.545 4.370 20 5 JIBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844223 720666914 /nfs/dbraw/zinc/66/69/14/720666914.db2.gz YTQXPROYESVAGI-SFHVURJKSA-N 1 1 488.972 4.080 20 5 JIBDMO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754033 720898075 /nfs/dbraw/zinc/89/80/75/720898075.db2.gz IJWJYWVMGDZKLX-WNCULLNHSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755152 720905878 /nfs/dbraw/zinc/90/58/78/720905878.db2.gz ZDEYYEWOBLUHEY-KCWPFWIISA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)cnc2Cl)c1 ZINC001164863503 721034597 /nfs/dbraw/zinc/03/45/97/721034597.db2.gz UIECRUWGTBYLTP-UHFFFAOYSA-N 1 1 499.909 4.359 20 5 JIBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Oc5ccnc(Cl)c5)c(F)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772297 721135385 /nfs/dbraw/zinc/13/53/85/721135385.db2.gz VJLIEMALTRGTMH-SJORKVTESA-N 1 1 486.935 4.266 20 5 JIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164792484 721492856 /nfs/dbraw/zinc/49/28/56/721492856.db2.gz PJDQGOORMBUTML-UHFFFAOYSA-N 1 1 452.946 4.467 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164912899 721730355 /nfs/dbraw/zinc/73/03/55/721730355.db2.gz QYGHSEGPUZMHRJ-HSZRJFAPSA-N 1 1 466.492 4.185 20 5 JIBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545478 1069320863 /nfs/dbraw/zinc/32/08/63/1069320863.db2.gz MQXKADVEDPJMDI-KRWDZBQOSA-N 1 1 453.436 4.189 20 5 JIBDMO CC(C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001359698787 1070359645 /nfs/dbraw/zinc/35/96/45/1070359645.db2.gz KUQZKCYAUZGDFM-LJQANCHMSA-N 1 1 458.611 4.002 20 5 JIBDMO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315902004 1065377948 /nfs/dbraw/zinc/37/79/48/1065377948.db2.gz IRNDKUHTAZDLBV-BGYRXZFFSA-N 1 1 484.645 4.473 20 5 JIBDMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC2)c1 ZINC001318308918 1067011125 /nfs/dbraw/zinc/01/11/25/1067011125.db2.gz ORUXYKCHSJQSMR-UHFFFAOYSA-N 1 1 472.574 4.472 20 5 JIBDMO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1 ZINC001351116946 1067047739 /nfs/dbraw/zinc/04/77/39/1067047739.db2.gz GDNIBNAKJNIKNZ-FQEVSTJZSA-N 1 1 463.376 4.246 20 5 JIBDMO COC1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001300720681 1067107945 /nfs/dbraw/zinc/10/79/45/1067107945.db2.gz MTNIQMANPOOLBV-UHFFFAOYSA-N 1 1 470.618 4.369 20 5 JIBDMO O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC001200105189 1067627958 /nfs/dbraw/zinc/62/79/58/1067627958.db2.gz AUIZYWFWYVLWJN-GOSISDBHSA-N 1 1 457.356 4.334 20 5 JIBDMO C[C@H]1C[C@H](CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC001356500291 1067764682 /nfs/dbraw/zinc/76/46/82/1067764682.db2.gz AGVIIKOVLXPJKO-ZFWWWQNUSA-N 1 1 452.374 4.449 20 5 JIBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC001354209150 1068979210 /nfs/dbraw/zinc/97/92/10/1068979210.db2.gz DJXDGUOVZWIHIR-KZULUSFZSA-N 1 1 455.483 4.079 20 5 JIBDMO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164694593 719889828 /nfs/dbraw/zinc/88/98/28/719889828.db2.gz AMXAGVALRMLJNF-UHFFFAOYSA-N 1 1 458.918 4.121 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164842766 720674937 /nfs/dbraw/zinc/67/49/37/720674937.db2.gz UDMZZRBIYYKVBX-KRWDZBQOSA-N 1 1 466.916 4.448 20 5 JIBDMO CSc1nc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164840338 720694972 /nfs/dbraw/zinc/69/49/72/720694972.db2.gz CYLQVNBRAQUQBI-MRXNPFEDSA-N 1 1 463.991 4.020 20 5 JIBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164789380 721454931 /nfs/dbraw/zinc/45/49/31/721454931.db2.gz VDTJGVWJNZEHOF-QFIPXVFZSA-N 1 1 468.598 4.185 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]21 ZINC001164809245 721561567 /nfs/dbraw/zinc/56/15/67/721561567.db2.gz WEPYJOVFQUFQCX-VIZSFHNOSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001164910431 721766594 /nfs/dbraw/zinc/76/65/94/721766594.db2.gz FVYDJDTYKMILDH-UHFFFAOYSA-N 1 1 464.913 4.374 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2 ZINC001164910431 721766599 /nfs/dbraw/zinc/76/65/99/721766599.db2.gz FVYDJDTYKMILDH-UHFFFAOYSA-N 1 1 464.913 4.374 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]21 ZINC001165026759 721831847 /nfs/dbraw/zinc/83/18/47/721831847.db2.gz QAZJXTUKNIKIAS-CDHQVMDDSA-N 1 1 452.946 4.323 20 5 JIBDMO O=[N+]([O-])c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1-c1ccccc1 ZINC001164966283 722062079 /nfs/dbraw/zinc/06/20/79/722062079.db2.gz PVRJIOAIBPUVGG-UHFFFAOYSA-N 1 1 459.550 4.171 20 5 JIBDMO CSCCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001316452346 1066335079 /nfs/dbraw/zinc/33/50/79/1066335079.db2.gz SPZXOKNQGWOSFC-IBGZPJMESA-N 1 1 488.658 4.076 20 5 JIBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC001351237981 1067063405 /nfs/dbraw/zinc/06/34/05/1067063405.db2.gz VLBXYIGJQJXCAL-FQEVSTJZSA-N 1 1 456.568 4.189 20 5 JIBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC001351237981 1067063425 /nfs/dbraw/zinc/06/34/25/1067063425.db2.gz VLBXYIGJQJXCAL-FQEVSTJZSA-N 1 1 456.568 4.189 20 5 JIBDMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001321718888 1067203493 /nfs/dbraw/zinc/20/34/93/1067203493.db2.gz WAPXIGLYWYQEPE-INIZCTEOSA-N 1 1 495.001 4.043 20 5 JIBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001321718888 1067203517 /nfs/dbraw/zinc/20/35/17/1067203517.db2.gz WAPXIGLYWYQEPE-INIZCTEOSA-N 1 1 495.001 4.043 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164714173 720107119 /nfs/dbraw/zinc/10/71/19/720107119.db2.gz AJPIXVSGOZHFFY-IBGZPJMESA-N 1 1 482.972 4.094 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164713019 720132733 /nfs/dbraw/zinc/13/27/33/720132733.db2.gz OXAOYUHDWOJHHA-HSZRJFAPSA-N 1 1 488.592 4.263 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164732271 720485430 /nfs/dbraw/zinc/48/54/30/720485430.db2.gz YZEZNVHMESAXIV-LEWJYISDSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)nn1 ZINC001164732271 720485432 /nfs/dbraw/zinc/48/54/32/720485432.db2.gz YZEZNVHMESAXIV-LEWJYISDSA-N 1 1 486.910 4.498 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164841626 720713367 /nfs/dbraw/zinc/71/33/67/720713367.db2.gz VDRXJJCXDGLOQE-OAHLLOKOSA-N 1 1 485.894 4.317 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164836139 720729544 /nfs/dbraw/zinc/72/95/44/720729544.db2.gz BDFUKUJCFGFELK-LJQANCHMSA-N 1 1 467.957 4.451 20 5 JIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753237 720887072 /nfs/dbraw/zinc/88/70/72/720887072.db2.gz GGHYQSHVFRPWBB-WZONZLPQSA-N 1 1 492.407 4.447 20 5 JIBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC(C)(C)C ZINC001316492680 1066432560 /nfs/dbraw/zinc/43/25/60/1066432560.db2.gz RIQGZWUHKGBCPG-LJQANCHMSA-N 1 1 470.618 4.369 20 5 JIBDMO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1OC ZINC001318230131 1066974029 /nfs/dbraw/zinc/97/40/29/1066974029.db2.gz SYFRGKMZFVGWJC-UHFFFAOYSA-N 1 1 453.499 4.117 20 5 JIBDMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3nc(-c4cnccn4)nc4sc5c(c43)CCCC5)CC2)c1 ZINC001318309113 1067011234 /nfs/dbraw/zinc/01/12/34/1067011234.db2.gz RNKXYSSLUCFCKV-UHFFFAOYSA-N 1 1 487.589 4.258 20 5 JIBDMO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC001354728133 1067064704 /nfs/dbraw/zinc/06/47/04/1067064704.db2.gz MPABAMLMNSKIKW-OFNKIYASSA-N 1 1 450.583 4.472 20 5 JIBDMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001321718889 1067204040 /nfs/dbraw/zinc/20/40/40/1067204040.db2.gz WAPXIGLYWYQEPE-MRXNPFEDSA-N 1 1 495.001 4.043 20 5 JIBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001321718889 1067204055 /nfs/dbraw/zinc/20/40/55/1067204055.db2.gz WAPXIGLYWYQEPE-MRXNPFEDSA-N 1 1 495.001 4.043 20 5 JIBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001355894111 1067600812 /nfs/dbraw/zinc/60/08/12/1067600812.db2.gz CSSTYFVFXVNZQC-QFBILLFUSA-N 1 1 456.568 4.274 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164718114 720107990 /nfs/dbraw/zinc/10/79/90/720107990.db2.gz RVQXUVOIGPEFDK-SFHVURJKSA-N 1 1 482.972 4.094 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164716230 720157532 /nfs/dbraw/zinc/15/75/32/720157532.db2.gz ZCQNPMUJBXBKHJ-LJQANCHMSA-N 1 1 482.972 4.094 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164841230 720681267 /nfs/dbraw/zinc/68/12/67/720681267.db2.gz IMIUPUBRJOBKBP-SFHVURJKSA-N 1 1 466.916 4.448 20 5 JIBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164837653 720710317 /nfs/dbraw/zinc/71/03/17/720710317.db2.gz FUCDYXRBIXZXRD-HSZRJFAPSA-N 1 1 459.550 4.312 20 5 JIBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164792279 721490389 /nfs/dbraw/zinc/49/03/89/721490389.db2.gz IRZHMJXZSIGPDP-UHFFFAOYSA-N 1 1 451.905 4.464 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164809225 721561699 /nfs/dbraw/zinc/56/16/99/721561699.db2.gz WEPYJOVFQUFQCX-MIZPHKNDSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001165027258 721801190 /nfs/dbraw/zinc/80/11/90/721801190.db2.gz UZMNMPCWGWYQDN-JCGIZDLHSA-N 1 1 451.905 4.320 20 5 JIBDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCS2)CC1 ZINC001359548321 1069854671 /nfs/dbraw/zinc/85/46/71/1069854671.db2.gz WFZNUDXAYZBLSJ-FQEVSTJZSA-N 1 1 458.632 4.450 20 5 JIBDMO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC001316497748 1066451375 /nfs/dbraw/zinc/45/13/75/1066451375.db2.gz UZJLXRWYSXGEMM-KDURUIRLSA-N 1 1 456.591 4.122 20 5 JIBDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC001473302709 1067890563 /nfs/dbraw/zinc/89/05/63/1067890563.db2.gz VWVWKAVFLPOIBB-QANKJYHBSA-N 1 1 454.365 4.483 20 5 JIBDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000849565848 1069216322 /nfs/dbraw/zinc/21/63/22/1069216322.db2.gz WSUDJMBTGYMQJT-IAGOWNOFSA-N 1 1 457.581 4.215 20 5 JIBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164652006 719317203 /nfs/dbraw/zinc/31/72/03/719317203.db2.gz LJPVRVVXOATARY-UHFFFAOYSA-N 1 1 455.950 4.107 20 5 JIBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693434 719804819 /nfs/dbraw/zinc/80/48/19/719804819.db2.gz SSNXOTNXOVHDRX-UHFFFAOYSA-N 1 1 455.009 4.160 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164714907 720107163 /nfs/dbraw/zinc/10/71/63/720107163.db2.gz FBYHNSRYCYRBCV-INIZCTEOSA-N 1 1 466.369 4.199 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164842165 720533413 /nfs/dbraw/zinc/53/34/13/720533413.db2.gz XAYFLIFXCZDOLO-ZWOKBUDYSA-N 1 1 454.962 4.371 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@@H]21 ZINC001164840179 720629180 /nfs/dbraw/zinc/62/91/80/720629180.db2.gz PEOGSMTZXQFJKM-DXIQSLLYSA-N 1 1 481.988 4.280 20 5 JIBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@@H]21 ZINC001164839964 720644590 /nfs/dbraw/zinc/64/45/90/720644590.db2.gz LKJODKVWVXYHJU-HJNYFJLDSA-N 1 1 464.545 4.370 20 5 JIBDMO Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)nc3c2n1 ZINC001164741889 720830547 /nfs/dbraw/zinc/83/05/47/720830547.db2.gz OYQVZQSEFLMIQY-YPAWHYETSA-N 1 1 474.012 4.407 20 5 JIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753233 720887017 /nfs/dbraw/zinc/88/70/17/720887017.db2.gz GGHYQSHVFRPWBB-JPYJTQIMSA-N 1 1 492.407 4.447 20 5 JIBDMO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1Cl ZINC001164909200 721561669 /nfs/dbraw/zinc/56/16/69/721561669.db2.gz SVFSHXTVHNJZEP-PKOBYXMFSA-N 1 1 469.904 4.186 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164801654 721590174 /nfs/dbraw/zinc/59/01/74/721590174.db2.gz FEIBRFUPQDOEIQ-JMUQELJHSA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164801654 721590176 /nfs/dbraw/zinc/59/01/76/721590176.db2.gz FEIBRFUPQDOEIQ-JMUQELJHSA-N 1 1 453.930 4.060 20 5 JIBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164911235 721738084 /nfs/dbraw/zinc/73/80/84/721738084.db2.gz JCDXZMKMPCRGPS-NRFANRHFSA-N 1 1 474.899 4.324 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001165027256 721801156 /nfs/dbraw/zinc/80/11/56/721801156.db2.gz UZMNMPCWGWYQDN-BMGDILEWSA-N 1 1 451.905 4.320 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001165027259 721801336 /nfs/dbraw/zinc/80/13/36/721801336.db2.gz UZMNMPCWGWYQDN-ZTFGCOKTSA-N 1 1 451.905 4.320 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001165020656 721828382 /nfs/dbraw/zinc/82/83/82/721828382.db2.gz DBEHGDPXJNBCLF-QMHWCDLVSA-N 1 1 462.529 4.323 20 5 JIBDMO CC(C)[C@@H](Cn1c(C2CCC2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+]1CCOCC1 ZINC001359662284 1070282880 /nfs/dbraw/zinc/28/28/80/1070282880.db2.gz WRPBRWMQYWKKLR-HSZRJFAPSA-N 1 1 470.618 4.226 20 5 JIBDMO Cc1cccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CC[N@@H+](C)C2CCCC2)n1 ZINC001492501990 1066300254 /nfs/dbraw/zinc/30/02/54/1066300254.db2.gz FSIQCLAQQCWMAB-UHFFFAOYSA-N 1 1 463.586 4.110 20 5 JIBDMO COc1cc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC001318261429 1066988847 /nfs/dbraw/zinc/98/88/47/1066988847.db2.gz CWKRAWCCOVYKPT-UHFFFAOYSA-N 1 1 475.452 4.319 20 5 JIBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)C1 ZINC001355335593 1067423258 /nfs/dbraw/zinc/42/32/58/1067423258.db2.gz PTOVYLDEPREQFH-DEOSSOPVSA-N 1 1 454.454 4.486 20 5 JIBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001355894120 1067600970 /nfs/dbraw/zinc/60/09/70/1067600970.db2.gz CSSTYFVFXVNZQC-VQIMIIECSA-N 1 1 456.568 4.274 20 5 JIBDMO CC(C)Cn1cc([C@H]2[N@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000849479478 1069049512 /nfs/dbraw/zinc/04/95/12/1069049512.db2.gz QZACXQDPLZIRQT-XMMPIXPASA-N 1 1 464.570 4.202 20 5 JIBDMO CC(C)Cn1cc([C@H]2[N@@H+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000849479478 1069049523 /nfs/dbraw/zinc/04/95/23/1069049523.db2.gz QZACXQDPLZIRQT-XMMPIXPASA-N 1 1 464.570 4.202 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837583 720643671 /nfs/dbraw/zinc/64/36/71/720643671.db2.gz DEPPAIDOAHXBQA-CMKODMSKSA-N 1 1 454.962 4.371 20 5 JIBDMO CSc1nc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164840336 720694798 /nfs/dbraw/zinc/69/47/98/720694798.db2.gz CYLQVNBRAQUQBI-INIZCTEOSA-N 1 1 463.991 4.020 20 5 JIBDMO Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@H+]5CC5CC5)C4)nc3c2n1 ZINC001164741881 720830984 /nfs/dbraw/zinc/83/09/84/720830984.db2.gz OYQVZQSEFLMIQY-BHDDXSALSA-N 1 1 474.012 4.407 20 5 JIBDMO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751642 720880770 /nfs/dbraw/zinc/88/07/70/720880770.db2.gz LNQLUALNQQRVJV-WZONZLPQSA-N 1 1 492.407 4.447 20 5 JIBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)C3)O2)CC1 ZINC001164883877 721414589 /nfs/dbraw/zinc/41/45/89/721414589.db2.gz CEJHXDNHUPKADI-QFQXNSOFSA-N 1 1 466.029 4.202 20 5 JIBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164907465 721585005 /nfs/dbraw/zinc/58/50/05/721585005.db2.gz TZEOTKWSPQOKPB-GOSISDBHSA-N 1 1 473.858 4.321 20 5 JIBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164909366 721745928 /nfs/dbraw/zinc/74/59/28/721745928.db2.gz PPJKINVIGOOCGC-UHFFFAOYSA-N 1 1 463.872 4.371 20 5 JIBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164909366 721745934 /nfs/dbraw/zinc/74/59/34/721745934.db2.gz PPJKINVIGOOCGC-UHFFFAOYSA-N 1 1 463.872 4.371 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001165024505 721806862 /nfs/dbraw/zinc/80/68/62/721806862.db2.gz LKJNWEVUUXZWFZ-NYSBEXSLSA-N 1 1 452.946 4.323 20 5 JIBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)CC3)C2)cc1 ZINC001164939350 721924764 /nfs/dbraw/zinc/92/47/64/721924764.db2.gz JQFVVBSVRWHJOX-UHFFFAOYSA-N 1 1 466.916 4.368 20 5 JIBDMO O=[N+]([O-])c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1-c1ccc(F)cc1 ZINC001164963198 722062244 /nfs/dbraw/zinc/06/22/44/722062244.db2.gz BAHYAYZPKRVFDN-UHFFFAOYSA-N 1 1 477.540 4.310 20 5 JIBDMO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001315903264 1065381713 /nfs/dbraw/zinc/38/17/13/1065381713.db2.gz SCPQARAHIHEUNV-OAQYLSRUSA-N 1 1 470.618 4.084 20 5 JIBDMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC001352338133 1067334613 /nfs/dbraw/zinc/33/46/13/1067334613.db2.gz XHBQDVAQMMRCGV-BJKOFHAPSA-N 1 1 458.562 4.347 20 5 JIBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164713020 720132203 /nfs/dbraw/zinc/13/22/03/720132203.db2.gz OXAOYUHDWOJHHA-QHCPKHFHSA-N 1 1 488.592 4.263 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725786 720484127 /nfs/dbraw/zinc/48/41/27/720484127.db2.gz KEURUXCZTCOASA-LEWJYISDSA-N 1 1 486.910 4.498 20 5 JIBDMO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c(Cl)nn2)c1 ZINC001164725786 720484134 /nfs/dbraw/zinc/48/41/34/720484134.db2.gz KEURUXCZTCOASA-LEWJYISDSA-N 1 1 486.910 4.498 20 5 JIBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839962 720645765 /nfs/dbraw/zinc/64/57/65/720645765.db2.gz LKJODKVWVXYHJU-BAGYTPMASA-N 1 1 464.545 4.370 20 5 JIBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001165020652 721828459 /nfs/dbraw/zinc/82/84/59/721828459.db2.gz DBEHGDPXJNBCLF-JXHRLWIKSA-N 1 1 462.529 4.323 20 5 JIBDMO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164960697 722060069 /nfs/dbraw/zinc/06/00/69/722060069.db2.gz HWULAABDXNMUGP-UHFFFAOYSA-N 1 1 467.957 4.310 20 5 JIBDMO CC(C)(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001359524890 1069814173 /nfs/dbraw/zinc/81/41/73/1069814173.db2.gz QOICQRDPCVPCNL-UHFFFAOYSA-N 1 1 470.618 4.055 20 5 JIBDMO CC(C)(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001359524890 1069814175 /nfs/dbraw/zinc/81/41/75/1069814175.db2.gz QOICQRDPCVPCNL-UHFFFAOYSA-N 1 1 470.618 4.055 20 5 JIBDMO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[C@@H]1C ZINC001315713655 1064999687 /nfs/dbraw/zinc/99/96/87/1064999687.db2.gz BZVOLMLCZOQQET-SEDAZVQISA-N 1 1 484.645 4.473 20 5 JIBDMO COC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001315895102 1065360497 /nfs/dbraw/zinc/36/04/97/1065360497.db2.gz OFNGVOIMWOLVDI-LEWJYISDSA-N 1 1 470.618 4.371 20 5 JIBDMO CCOc1cc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c([N+](=O)[O-])cc1OC ZINC001325992182 1066278644 /nfs/dbraw/zinc/27/86/44/1066278644.db2.gz NIUDMZXNZJSHJD-UHFFFAOYSA-N 1 1 453.499 4.117 20 5 JIBDMO CC[NH+]1CCN(c2ccc(CNCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cn2)CC1 ZINC001318346524 1067026643 /nfs/dbraw/zinc/02/66/43/1067026643.db2.gz LKDSKNBDRWFMTJ-UHFFFAOYSA-N 1 1 455.946 4.335 20 5 JIBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)C1 ZINC001355335596 1067423116 /nfs/dbraw/zinc/42/31/16/1067423116.db2.gz PTOVYLDEPREQFH-XMMPIXPASA-N 1 1 454.454 4.486 20 5 JIBDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356622782 1067794002 /nfs/dbraw/zinc/79/40/02/1067794002.db2.gz BWBZKCDGVYBVQP-IBGZPJMESA-N 1 1 451.552 4.278 20 5 JIBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001357778724 1067898401 /nfs/dbraw/zinc/89/84/01/1067898401.db2.gz ITYMRMLJDPJCKD-QGZVFWFLSA-N 1 1 450.564 4.445 20 5 JIBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001357778724 1067898403 /nfs/dbraw/zinc/89/84/03/1067898403.db2.gz ITYMRMLJDPJCKD-QGZVFWFLSA-N 1 1 450.564 4.445 20 5 JIBDMO CSc1ccc(C(=O)NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC001357904219 1067935999 /nfs/dbraw/zinc/93/59/99/1067935999.db2.gz DKXNELIABPEKRH-HDICACEKSA-N 1 1 457.596 4.256 20 5 JIBDMO Cn1c(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC001474122200 1068356523 /nfs/dbraw/zinc/35/65/23/1068356523.db2.gz ZFYGXVUOZNCCPJ-UHFFFAOYSA-N 1 1 456.671 4.029 20 5 JIBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164714175 720107645 /nfs/dbraw/zinc/10/76/45/720107645.db2.gz AJPIXVSGOZHFFY-LJQANCHMSA-N 1 1 482.972 4.094 20 5 JIBDMO CCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164842186 720620559 /nfs/dbraw/zinc/62/05/59/720620559.db2.gz UIMQCQFXKJCYCO-AGILITTLSA-N 1 1 475.597 4.189 20 5 JIBDMO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc21 ZINC001164758106 720886299 /nfs/dbraw/zinc/88/62/99/720886299.db2.gz WUTMLBFMNSHOSA-WXVAWEFUSA-N 1 1 473.577 4.293 20 5 JIBDMO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753235 720886770 /nfs/dbraw/zinc/88/67/70/720886770.db2.gz GGHYQSHVFRPWBB-MBSDFSHPSA-N 1 1 492.407 4.447 20 5 JIBDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@@H]2C1 ZINC001164855987 720892378 /nfs/dbraw/zinc/89/23/78/720892378.db2.gz FDNUPKGYYBZZFL-DYESRHJHSA-N 1 1 496.942 4.029 20 5 JIBDMO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753671 720935769 /nfs/dbraw/zinc/93/57/69/720935769.db2.gz RZEBWPULNPDPAT-KCWPFWIISA-N 1 1 473.577 4.293 20 5 JIBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC001164785385 721374460 /nfs/dbraw/zinc/37/44/60/721374460.db2.gz RYLDVTOGULMSTI-AREMUKBSSA-N 1 1 477.565 4.381 20 5 JIBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC001164785385 721374463 /nfs/dbraw/zinc/37/44/63/721374463.db2.gz RYLDVTOGULMSTI-AREMUKBSSA-N 1 1 477.565 4.381 20 5 JIBDMO O=[N+]([O-])c1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164907466 721584896 /nfs/dbraw/zinc/58/48/96/721584896.db2.gz TZEOTKWSPQOKPB-SFHVURJKSA-N 1 1 473.858 4.321 20 5 JIBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164801657 721590303 /nfs/dbraw/zinc/59/03/03/721590303.db2.gz FEIBRFUPQDOEIQ-QTGUNEKASA-N 1 1 453.930 4.060 20 5 JIBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12 ZINC001164801657 721590305 /nfs/dbraw/zinc/59/03/05/721590305.db2.gz FEIBRFUPQDOEIQ-QTGUNEKASA-N 1 1 453.930 4.060 20 5 JIBDMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027757 721826222 /nfs/dbraw/zinc/82/62/22/721826222.db2.gz TYPNOWBHGHECDV-OYDLWJJNSA-N 1 1 458.566 4.492 20 5 JIBDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001165023342 721839555 /nfs/dbraw/zinc/83/95/55/721839555.db2.gz VASJEGHMONOUKO-UHFFFAOYSA-N 1 1 470.904 4.306 20 5 JIBDMO