smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(N2CCC([NH2+]Cc3cc(OC)c(OCC(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC001327238575 1066314213 /nfs/dbraw/zinc/31/42/13/1066314213.db2.gz MHIPZDVAOAKAJS-UHFFFAOYSA-N 1 0 469.460 4.312 20 5 JIBDRO CC[NH+](CC)C1CCN(c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 ZINC001319087942 1067066595 /nfs/dbraw/zinc/06/65/95/1067066595.db2.gz DNBFDUCZZSAPDZ-UHFFFAOYSA-N 1 0 460.600 4.323 20 5 JIBDRO CC[NH+](CC)CCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC001355374209 1067437686 /nfs/dbraw/zinc/43/76/86/1067437686.db2.gz DLPNSGKUHOHYDL-UHFFFAOYSA-N 1 0 450.333 4.111 20 5 JIBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC001352862825 1067772544 /nfs/dbraw/zinc/77/25/44/1067772544.db2.gz OUYGDMZJRSJVGI-UHFFFAOYSA-N 1 0 452.374 4.283 20 5 JIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842162 720533311 /nfs/dbraw/zinc/53/33/11/720533311.db2.gz XAYFLIFXCZDOLO-ABSDTBQOSA-N 1 0 454.962 4.371 20 5 JIBDRO 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 720629960 /nfs/dbraw/zinc/62/99/60/720629960.db2.gz PEOGSMTZXQFJKM-CNNODRBYSA-N 1 0 481.988 4.280 20 5 JIBDRO CCOC(=O)c1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1[N+](=O)[O-] ZINC001164758914 721046778 /nfs/dbraw/zinc/04/67/78/721046778.db2.gz FMIOFWKCBPSDSK-UHFFFAOYSA-N 1 0 452.555 4.358 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164785862 721458988 /nfs/dbraw/zinc/45/89/88/721458988.db2.gz OEXQQNFZRSIQQZ-INIZCTEOSA-N 1 0 473.401 4.031 20 5 JIBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164931127 721890502 /nfs/dbraw/zinc/89/05/02/721890502.db2.gz CZPBWKRGYPODHI-UXHICEINSA-N 1 0 465.932 4.070 20 5 JIBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CN1CCOc1ccccc1 ZINC001200713280 1069361697 /nfs/dbraw/zinc/36/16/97/1069361697.db2.gz CCEDSVIKINAOJB-KRWDZBQOSA-N 1 0 455.898 4.278 20 5 JIBDRO CC(C)(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359538674 1069834636 /nfs/dbraw/zinc/83/46/36/1069834636.db2.gz ADLOIEUDXFVBBI-UHFFFAOYSA-N 1 0 483.661 4.366 20 5 JIBDRO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001315716669 1065007019 /nfs/dbraw/zinc/00/70/19/1065007019.db2.gz LCHMGVWEHSWPPD-CVDCTZTESA-N 1 0 470.618 4.369 20 5 JIBDRO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)CC[C@H]1C ZINC001315720353 1065014945 /nfs/dbraw/zinc/01/49/45/1065014945.db2.gz VLHCSHFKHYLDAM-YKSBVNFPSA-N 1 0 484.645 4.473 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2nnc(N(CCC(F)(F)F)CC3CC3)n2CC[NH+]2CCCC2)c1 ZINC001316582268 1066598219 /nfs/dbraw/zinc/59/82/19/1066598219.db2.gz PTEUNSIQLSGVAM-UHFFFAOYSA-N 1 0 452.481 4.118 20 5 JIBDRO COc1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001317978171 1066828868 /nfs/dbraw/zinc/82/88/68/1066828868.db2.gz QCNWPIPVBNEVCY-UHFFFAOYSA-N 1 0 468.535 4.487 20 5 JIBDRO CCOC(=O)c1c2c(sc1NC(=O)Cc1cccc([N+](=O)[O-])c1C)C(C)(C)[NH2+]C(C)(C)C2 ZINC001354710272 1067055971 /nfs/dbraw/zinc/05/59/71/1067055971.db2.gz CFKUNJMWBMBWQE-UHFFFAOYSA-N 1 0 459.568 4.482 20 5 JIBDRO CC(C)(C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001355913435 1067607854 /nfs/dbraw/zinc/60/78/54/1067607854.db2.gz KIEFFWPEGBJGDE-UHFFFAOYSA-N 1 0 459.550 4.228 20 5 JIBDRO C[C@@H]1C[C@H](CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC001356500287 1067764457 /nfs/dbraw/zinc/76/44/57/1067764457.db2.gz AGVIIKOVLXPJKO-HIFRSBDPSA-N 1 0 452.374 4.449 20 5 JIBDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1C ZINC001357907651 1067938684 /nfs/dbraw/zinc/93/86/84/1067938684.db2.gz WLSASQHSNVOXTR-WOJBJXKFSA-N 1 0 453.583 4.198 20 5 JIBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001358244540 1068050364 /nfs/dbraw/zinc/05/03/64/1068050364.db2.gz RMXXSXUGEJFNQJ-UHFFFAOYSA-N 1 0 458.356 4.486 20 5 JIBDRO COc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523656586 1068346618 /nfs/dbraw/zinc/34/66/18/1068346618.db2.gz GFRDKXPVTQCNBE-UHFFFAOYSA-N 1 0 459.890 4.060 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164840444 720662897 /nfs/dbraw/zinc/66/28/97/720662897.db2.gz MNHDHCAESRJSEA-SFHVURJKSA-N 1 0 466.916 4.448 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164838861 720723455 /nfs/dbraw/zinc/72/34/55/720723455.db2.gz JKKUXNKNHRKGMQ-NRFANRHFSA-N 1 0 477.540 4.451 20 5 JIBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164755926 720883719 /nfs/dbraw/zinc/88/37/19/720883719.db2.gz NIHRORYGHGXVAB-YIXXDRMTSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753676 720935978 /nfs/dbraw/zinc/93/59/78/720935978.db2.gz RZEBWPULNPDPAT-WNCULLNHSA-N 1 0 473.577 4.293 20 5 JIBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5cc4COc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164764958 721243616 /nfs/dbraw/zinc/24/36/16/721243616.db2.gz QLKVBXBPFYFKBA-UPVQGACJSA-N 1 0 498.587 4.414 20 5 JIBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164776443 721341669 /nfs/dbraw/zinc/34/16/69/721341669.db2.gz BLVSKWBXTFEBAN-RUZDIDTESA-N 1 0 465.554 4.175 20 5 JIBDRO 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 721805738 /nfs/dbraw/zinc/80/57/38/721805738.db2.gz AGRNZNOMZUXDRM-USXIJHARSA-N 1 0 451.905 4.320 20 5 JIBDRO COc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001354545953 1069321465 /nfs/dbraw/zinc/32/14/65/1069321465.db2.gz SLQRMVVGCLUBSH-KRWDZBQOSA-N 1 0 451.445 4.130 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001315707274 1064980645 /nfs/dbraw/zinc/98/06/45/1064980645.db2.gz XWDMXYLUXRKYIX-HXUWFJFHSA-N 1 0 470.618 4.225 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2ccsc2)CC1 ZINC001315707454 1064981389 /nfs/dbraw/zinc/98/13/89/1064981389.db2.gz YTTPKXDOBDDYNH-UHFFFAOYSA-N 1 0 484.626 4.441 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[C@H]1C ZINC001315713652 1064999523 /nfs/dbraw/zinc/99/95/23/1064999523.db2.gz BZVOLMLCZOQQET-GECPAALWSA-N 1 0 484.645 4.473 20 5 JIBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001315903262 1065381859 /nfs/dbraw/zinc/38/18/59/1065381859.db2.gz SCPQARAHIHEUNV-NRFANRHFSA-N 1 0 470.618 4.084 20 5 JIBDRO CS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001316424025 1066238407 /nfs/dbraw/zinc/23/84/07/1066238407.db2.gz RETDYOJDXZGDBC-UGKGYDQZSA-N 1 0 476.672 4.013 20 5 JIBDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C2)ccn1 ZINC001351117372 1067048240 /nfs/dbraw/zinc/04/82/40/1067048240.db2.gz LUKOWVHTHUFQQK-SFHVURJKSA-N 1 0 456.934 4.084 20 5 JIBDRO CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001321652732 1067190648 /nfs/dbraw/zinc/19/06/48/1067190648.db2.gz CQVXEJJXSPJHBU-UHFFFAOYSA-N 1 0 468.941 4.467 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1(C)C ZINC001300793562 1067365520 /nfs/dbraw/zinc/36/55/20/1067365520.db2.gz GHMZLJPQVJJIQC-SIKLNZKXSA-N 1 0 470.618 4.083 20 5 JIBDRO C[C@@H]1C[C@@H](CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC001356500289 1067764608 /nfs/dbraw/zinc/76/46/08/1067764608.db2.gz AGVIIKOVLXPJKO-UKRRQHHQSA-N 1 0 452.374 4.449 20 5 JIBDRO 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 1067858610 /nfs/dbraw/zinc/85/86/10/1067858610.db2.gz GMBYITRDGISVNO-HLAWJBBLSA-N 1 0 452.511 4.150 20 5 JIBDRO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357781210 1067898880 /nfs/dbraw/zinc/89/88/80/1067898880.db2.gz PCERHLDCNLPWFS-OFNKIYASSA-N 1 0 450.583 4.472 20 5 JIBDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@@H]1C ZINC001357907537 1067939035 /nfs/dbraw/zinc/93/90/35/1067939035.db2.gz WLSASQHSNVOXTR-PMACEKPBSA-N 1 0 453.583 4.198 20 5 JIBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(CCc3ccccc3)CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC001354030275 1068845911 /nfs/dbraw/zinc/84/59/11/1068845911.db2.gz XJAOITCLSIQLSW-NHCUHLMSSA-N 1 0 452.599 4.324 20 5 JIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(-c4ccc([N+](=O)[O-])cc4)nn2)CC3)cs1 ZINC001164691561 719813416 /nfs/dbraw/zinc/81/34/16/719813416.db2.gz HIJPKVIBZQFDQP-UHFFFAOYSA-N 1 0 450.568 4.452 20 5 JIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164842164 720533680 /nfs/dbraw/zinc/53/36/80/720533680.db2.gz XAYFLIFXCZDOLO-UWVAXJGDSA-N 1 0 454.962 4.371 20 5 JIBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753667 720936900 /nfs/dbraw/zinc/93/69/00/720936900.db2.gz RZEBWPULNPDPAT-HOFKKMOUSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867434 721088803 /nfs/dbraw/zinc/08/88/03/721088803.db2.gz YMDILMFIQPGIHL-HKUYNNGSSA-N 1 0 499.930 4.449 20 5 JIBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164776444 721341898 /nfs/dbraw/zinc/34/18/98/721341898.db2.gz BLVSKWBXTFEBAN-VWLOTQADSA-N 1 0 465.554 4.175 20 5 JIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164911236 721738366 /nfs/dbraw/zinc/73/83/66/721738366.db2.gz JCDXZMKMPCRGPS-OAQYLSRUSA-N 1 0 474.899 4.324 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)CC3)C2)cc1 ZINC001164939295 721923211 /nfs/dbraw/zinc/92/32/11/721923211.db2.gz GVMLEZVVGKVTTE-UHFFFAOYSA-N 1 0 466.916 4.368 20 5 JIBDRO CC(C)(C)Cc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359538839 1069835061 /nfs/dbraw/zinc/83/50/61/1069835061.db2.gz HRWZMEJIPSZRRO-UHFFFAOYSA-N 1 0 483.661 4.224 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC[C@H]1C ZINC001300794282 1069844957 /nfs/dbraw/zinc/84/49/57/1069844957.db2.gz JIKKEMRQTGZCMX-SXSPYAJSSA-N 1 0 470.618 4.225 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001315707267 1064980602 /nfs/dbraw/zinc/98/06/02/1064980602.db2.gz XMVCLDBNUXGUGU-UHFFFAOYSA-N 1 0 482.585 4.281 20 5 JIBDRO COC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001315895103 1065360732 /nfs/dbraw/zinc/36/07/32/1065360732.db2.gz OFNGVOIMWOLVDI-NHCUHLMSSA-N 1 0 470.618 4.371 20 5 JIBDRO Cc1cccc(-c2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001492504315 1066319019 /nfs/dbraw/zinc/31/90/19/1066319019.db2.gz RGNSXWCWAFQGHD-UHFFFAOYSA-N 1 0 463.586 4.314 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCCOC(F)F)c1 ZINC001316582034 1066596793 /nfs/dbraw/zinc/59/67/93/1066596793.db2.gz HDWASCFTBIGVSX-UHFFFAOYSA-N 1 0 478.544 4.185 20 5 JIBDRO C[C@@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357781206 1067898933 /nfs/dbraw/zinc/89/89/33/1067898933.db2.gz PCERHLDCNLPWFS-NFBKMPQASA-N 1 0 450.583 4.472 20 5 JIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC001358489581 1068114569 /nfs/dbraw/zinc/11/45/69/1068114569.db2.gz VISMMIZURPRPQZ-LJQANCHMSA-N 1 0 456.568 4.261 20 5 JIBDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000849565849 1069216553 /nfs/dbraw/zinc/21/65/53/1069216553.db2.gz WSUDJMBTGYMQJT-IRXDYDNUSA-N 1 0 457.581 4.215 20 5 JIBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)cc1 ZINC001164429987 718947658 /nfs/dbraw/zinc/94/76/58/718947658.db2.gz RJCWRTOOQXVTOF-XLIONFOSSA-N 1 0 457.868 4.326 20 5 JIBDRO 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 720630628 /nfs/dbraw/zinc/63/06/28/720630628.db2.gz PEOGSMTZXQFJKM-IPJJNNNSSA-N 1 0 481.988 4.280 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164838862 720722932 /nfs/dbraw/zinc/72/29/32/720722932.db2.gz JKKUXNKNHRKGMQ-OAQYLSRUSA-N 1 0 477.540 4.451 20 5 JIBDRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164756542 720881907 /nfs/dbraw/zinc/88/19/07/720881907.db2.gz QDXPFMCRLHXGGU-YKSBVNFPSA-N 1 0 471.989 4.102 20 5 JIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]12 ZINC001164809238 721561580 /nfs/dbraw/zinc/56/15/80/721561580.db2.gz WEPYJOVFQUFQCX-TXTKFYIRSA-N 1 0 453.930 4.060 20 5 JIBDRO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1[N+](=O)[O-] ZINC001164905711 721716768 /nfs/dbraw/zinc/71/67/68/721716768.db2.gz IXKAJVJFYXDOEL-DEOSSOPVSA-N 1 0 480.519 4.493 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001165021374 721807571 /nfs/dbraw/zinc/80/75/71/721807571.db2.gz GOKJESWPESJIQZ-LSBZLQRGSA-N 1 0 451.905 4.320 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164939904 721925349 /nfs/dbraw/zinc/92/53/49/721925349.db2.gz PJDBLEZFLMRGMS-UHFFFAOYSA-N 1 0 451.354 4.476 20 5 JIBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC001354629250 1069424853 /nfs/dbraw/zinc/42/48/53/1069424853.db2.gz RZXNOQYKVHJEET-IOMROCGXSA-N 1 0 450.564 4.453 20 5 JIBDRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001359411380 1069526492 /nfs/dbraw/zinc/52/64/92/1069526492.db2.gz KCVYJMYMYHLZKN-YUVSOPLDSA-N 1 0 497.644 4.001 20 5 JIBDRO 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 1065001404 /nfs/dbraw/zinc/00/14/04/1065001404.db2.gz CWOUQLFDXJFQNR-SXWKCWPCSA-N 1 0 470.618 4.083 20 5 JIBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H](C)C1(F)F ZINC001316494649 1066438718 /nfs/dbraw/zinc/43/87/18/1066438718.db2.gz DNPXNDLPXNOUSI-VWKPWSFCSA-N 1 0 480.585 4.018 20 5 JIBDRO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001351337826 1067079476 /nfs/dbraw/zinc/07/94/76/1067079476.db2.gz ZAEIMNIYWSLYEC-UHFFFAOYSA-N 1 0 451.914 4.218 20 5 JIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1SC ZINC001354902496 1067269263 /nfs/dbraw/zinc/26/92/63/1067269263.db2.gz ZYOQPBPNBJRXEZ-DEOSSOPVSA-N 1 0 455.580 4.454 20 5 JIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC001352617045 1067581975 /nfs/dbraw/zinc/58/19/75/1067581975.db2.gz OFUXLRIDYNUKJA-UHFFFAOYSA-N 1 0 454.861 4.244 20 5 JIBDRO 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 1067858678 /nfs/dbraw/zinc/85/86/78/1067858678.db2.gz GMBYITRDGISVNO-HMXCVIKNSA-N 1 0 452.511 4.150 20 5 JIBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001357756595 1067894975 /nfs/dbraw/zinc/89/49/75/1067894975.db2.gz RKXLSKWOCGKXEJ-XZOQPEGZSA-N 1 0 464.953 4.218 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164429948 718947681 /nfs/dbraw/zinc/94/76/81/718947681.db2.gz RACRTTAGMAVWPK-XLIONFOSSA-N 1 0 457.868 4.326 20 5 JIBDRO CC(C)N(C)Cc1nn(-c2nc3ccccc3cc2COc2ccccc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164685290 719652193 /nfs/dbraw/zinc/65/21/93/719652193.db2.gz ZAVJOJCRTIXSCH-UHFFFAOYSA-N 1 0 486.576 4.394 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)c2ccccc21 ZINC001164686850 719666897 /nfs/dbraw/zinc/66/68/97/719666897.db2.gz XWTPIKZWGVLXIL-FQEVSTJZSA-N 1 0 487.604 4.236 20 5 JIBDRO CSc1nc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164693761 719809448 /nfs/dbraw/zinc/80/94/48/719809448.db2.gz RBNQDJXCNJBGRI-UHFFFAOYSA-N 1 0 455.009 4.160 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164718646 720109470 /nfs/dbraw/zinc/10/94/70/720109470.db2.gz UGOKEJXHDXTKTJ-SFHVURJKSA-N 1 0 481.931 4.091 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164718028 720115471 /nfs/dbraw/zinc/11/54/71/720115471.db2.gz QNEFZJFPLFGQOJ-INIZCTEOSA-N 1 0 466.369 4.199 20 5 JIBDRO 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 720629365 /nfs/dbraw/zinc/62/93/65/720629365.db2.gz PEOGSMTZXQFJKM-XQBPLPMBSA-N 1 0 481.988 4.280 20 5 JIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164837582 720642554 /nfs/dbraw/zinc/64/25/54/720642554.db2.gz DEPPAIDOAHXBQA-BJLQDIEVSA-N 1 0 454.962 4.371 20 5 JIBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753680 720936493 /nfs/dbraw/zinc/93/64/93/720936493.db2.gz RZEBWPULNPDPAT-YIXXDRMTSA-N 1 0 473.577 4.293 20 5 JIBDRO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164769349 721201945 /nfs/dbraw/zinc/20/19/45/721201945.db2.gz MDVSKMCNTAEIRC-PMACEKPBSA-N 1 0 489.605 4.267 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164786285 721471597 /nfs/dbraw/zinc/47/15/97/721471597.db2.gz AOLMQFPHACVSRR-HSZRJFAPSA-N 1 0 480.609 4.391 20 5 JIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906658 721696077 /nfs/dbraw/zinc/69/60/77/721696077.db2.gz OCORWZUVBMKJIF-NRFANRHFSA-N 1 0 474.899 4.324 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)CC3)C2)cc1 ZINC001164940247 721930720 /nfs/dbraw/zinc/93/07/20/721930720.db2.gz UGIPCFUFBPNAHD-UHFFFAOYSA-N 1 0 459.550 4.232 20 5 JIBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC001354629249 1069424874 /nfs/dbraw/zinc/42/48/74/1069424874.db2.gz RZXNOQYKVHJEET-DUXKGJEZSA-N 1 0 450.564 4.453 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC[C@@H]1C ZINC001300794279 1069845092 /nfs/dbraw/zinc/84/50/92/1069845092.db2.gz JIKKEMRQTGZCMX-OFAXGOBFSA-N 1 0 470.618 4.225 20 5 JIBDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(F)(F)Br)CC1 ZINC001359548084 1069854287 /nfs/dbraw/zinc/85/42/87/1069854287.db2.gz NIZZEUWQPWXHMT-UHFFFAOYSA-N 1 0 487.349 4.152 20 5 JIBDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCCS2)CC1 ZINC001359548322 1069854774 /nfs/dbraw/zinc/85/47/74/1069854774.db2.gz WFZNUDXAYZBLSJ-HXUWFJFHSA-N 1 0 458.632 4.450 20 5 JIBDRO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359701502 1070367679 /nfs/dbraw/zinc/36/76/79/1070367679.db2.gz VUKSMLVTVFEEJZ-HXUWFJFHSA-N 1 0 470.618 4.478 20 5 JIBDRO COC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315895105 1065360588 /nfs/dbraw/zinc/36/05/88/1065360588.db2.gz OFNGVOIMWOLVDI-SFTDATJTSA-N 1 0 470.618 4.371 20 5 JIBDRO CS[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316376117 1066137553 /nfs/dbraw/zinc/13/75/53/1066137553.db2.gz OSRFMUFNAJIILO-SFHVURJKSA-N 1 0 458.632 4.307 20 5 JIBDRO CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@H]2CC=CCC2)CC[NH+](C)CC1 ZINC001316401528 1066179599 /nfs/dbraw/zinc/17/95/99/1066179599.db2.gz BXZXZOOYKLAFQO-IBGZPJMESA-N 1 0 470.643 4.473 20 5 JIBDRO CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC001316401966 1066180021 /nfs/dbraw/zinc/18/00/21/1066180021.db2.gz HLQGXJBAISVLPH-UHFFFAOYSA-N 1 0 498.575 4.459 20 5 JIBDRO CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC2CC(F)(F)C2)CC[NH+](C)CC1 ZINC001316402213 1066180589 /nfs/dbraw/zinc/18/05/89/1066180589.db2.gz MNZWAPYCOAVVRN-UHFFFAOYSA-N 1 0 480.585 4.162 20 5 JIBDRO CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC=C(C(F)(F)F)CC2)CC[NH+](C)CC1 ZINC001316402442 1066180766 /nfs/dbraw/zinc/18/07/66/1066180766.db2.gz OSGORTUEOBRBTO-UHFFFAOYSA-N 1 0 496.559 4.380 20 5 JIBDRO CC[NH+](CC)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC001318407108 1067039230 /nfs/dbraw/zinc/03/92/30/1067039230.db2.gz XLAODJBCZTXDNX-UHFFFAOYSA-N 1 0 455.580 4.494 20 5 JIBDRO CO[C@H]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300732482 1067171329 /nfs/dbraw/zinc/17/13/29/1067171329.db2.gz RYEYBTBUNAEWGQ-GGAORHGYSA-N 1 0 470.618 4.225 20 5 JIBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)C1 ZINC001321653488 1067191115 /nfs/dbraw/zinc/19/11/15/1067191115.db2.gz LBRHRUAQCWLQDO-LJQANCHMSA-N 1 0 482.968 4.495 20 5 JIBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001300783703 1067342036 /nfs/dbraw/zinc/34/20/36/1067342036.db2.gz SEVLFDMTGDZBEI-INIZCTEOSA-N 1 0 458.946 4.351 20 5 JIBDRO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1(C)C ZINC001300793557 1067365651 /nfs/dbraw/zinc/36/56/51/1067365651.db2.gz GHMZLJPQVJJIQC-KNQAVFIVSA-N 1 0 470.618 4.083 20 5 JIBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001357227584 1067821236 /nfs/dbraw/zinc/82/12/36/1067821236.db2.gz QHWQVSYGRFDAEB-UHFFFAOYSA-N 1 0 450.358 4.467 20 5 JIBDRO Cc1ccccc1-c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492564578 1068067661 /nfs/dbraw/zinc/06/76/61/1068067661.db2.gz MDDBDGJORLDQHA-OAQYLSRUSA-N 1 0 480.617 4.176 20 5 JIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752624 720883706 /nfs/dbraw/zinc/88/37/06/720883706.db2.gz FLUVYGNBMXMQPG-RDPSFJRHSA-N 1 0 471.989 4.102 20 5 JIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1Cl ZINC001164909197 721561552 /nfs/dbraw/zinc/56/15/52/721561552.db2.gz SVFSHXTVHNJZEP-HKUYNNGSSA-N 1 0 469.904 4.186 20 5 JIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164909199 721561851 /nfs/dbraw/zinc/56/18/51/721561851.db2.gz SVFSHXTVHNJZEP-MJGOQNOKSA-N 1 0 469.904 4.186 20 5 JIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908371 721697310 /nfs/dbraw/zinc/69/73/10/721697310.db2.gz YOMUIVHCSGLXLY-GOSISDBHSA-N 1 0 473.858 4.321 20 5 JIBDRO 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 721805788 /nfs/dbraw/zinc/80/57/88/721805788.db2.gz AGRNZNOMZUXDRM-BHYGNILZSA-N 1 0 451.905 4.320 20 5 JIBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1C ZINC001165047204 721977320 /nfs/dbraw/zinc/97/73/20/721977320.db2.gz FARNALRKBDMNGY-GOSISDBHSA-N 1 0 469.615 4.306 20 5 JIBDRO CC(C)(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001359532736 1069825218 /nfs/dbraw/zinc/82/52/18/1069825218.db2.gz AMLASJGJKABMKT-UHFFFAOYSA-N 1 0 454.619 4.460 20 5 JIBDRO CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(F)F)C1)C[NH+]1CCCC1 ZINC001359597946 1070053565 /nfs/dbraw/zinc/05/35/65/1070053565.db2.gz JELNUKGIWHCRHY-SFHVURJKSA-N 1 0 462.545 4.457 20 5 JIBDRO 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 1065001424 /nfs/dbraw/zinc/00/14/24/1065001424.db2.gz CWOUQLFDXJFQNR-ZRCGQRJVSA-N 1 0 470.618 4.083 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001315716666 1065006876 /nfs/dbraw/zinc/00/68/76/1065006876.db2.gz LCHMGVWEHSWPPD-AUSIDOKSSA-N 1 0 470.618 4.369 20 5 JIBDRO COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCC(C)CC1)[C@H]1CC[C@H](C)C1 ZINC001316078861 1065722463 /nfs/dbraw/zinc/72/24/63/1065722463.db2.gz LAWSDYVMDJVHMV-UNMCSNQZSA-N 1 0 470.618 4.227 20 5 JIBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)c2cccs2)C[C@H]1C ZINC001316123248 1065790577 /nfs/dbraw/zinc/79/05/77/1065790577.db2.gz UFFHOFVERQEKGZ-GOSISDBHSA-N 1 0 484.626 4.050 20 5 JIBDRO CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001316432211 1066272882 /nfs/dbraw/zinc/27/28/82/1066272882.db2.gz FQVKLUUNPGMUMX-IBGZPJMESA-N 1 0 476.672 4.013 20 5 JIBDRO Cc1cccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2CC[N@H+]2CC=CCC2)n1 ZINC001492504348 1066319818 /nfs/dbraw/zinc/31/98/18/1066319818.db2.gz SCKUOPVIKXWNFZ-UHFFFAOYSA-N 1 0 461.570 4.234 20 5 JIBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC001354728131 1067064456 /nfs/dbraw/zinc/06/44/56/1067064456.db2.gz MPABAMLMNSKIKW-NZQKXSOJSA-N 1 0 450.583 4.472 20 5 JIBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001351789039 1067207146 /nfs/dbraw/zinc/20/71/46/1067207146.db2.gz PYYRMBKGWRHFPU-UHFFFAOYSA-N 1 0 450.358 4.467 20 5 JIBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001355970594 1067621691 /nfs/dbraw/zinc/62/16/91/1067621691.db2.gz AOZMXLSYVRWGTR-UHFFFAOYSA-N 1 0 453.724 4.015 20 5 JIBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC001352858049 1067768114 /nfs/dbraw/zinc/76/81/14/1067768114.db2.gz DWMSZLIMPUOUBI-UHFFFAOYSA-N 1 0 452.374 4.283 20 5 JIBDRO 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 1067858625 /nfs/dbraw/zinc/85/86/25/1067858625.db2.gz GMBYITRDGISVNO-SESVDKBCSA-N 1 0 452.511 4.150 20 5 JIBDRO CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357521959 1067863983 /nfs/dbraw/zinc/86/39/83/1067863983.db2.gz XACZTNRGEYPYAB-JOCHJYFZSA-N 1 0 454.527 4.339 20 5 JIBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC001473302710 1067890584 /nfs/dbraw/zinc/89/05/84/1067890584.db2.gz VWVWKAVFLPOIBB-RPVQJOFSSA-N 1 0 454.365 4.483 20 5 JIBDRO C[NH+](C)CCOc1cc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccn1 ZINC001358036291 1067997869 /nfs/dbraw/zinc/99/78/69/1067997869.db2.gz ABIUIRLNOMOLKW-UHFFFAOYSA-N 1 0 452.536 4.011 20 5 JIBDRO COc1cc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC001473550551 1068244418 /nfs/dbraw/zinc/24/44/18/1068244418.db2.gz PCRLZOXLUJKYFC-KRWDZBQOSA-N 1 0 459.490 4.125 20 5 JIBDRO 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 1069057588 /nfs/dbraw/zinc/05/75/88/1069057588.db2.gz QLJRMLWGAMZSQQ-RPWUZVMVSA-N 1 0 491.548 4.000 20 5 JIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CN3CCN(c4ccccc4)CC3)o2)c([N+](=O)[O-])c1 ZINC001200683599 1069276494 /nfs/dbraw/zinc/27/64/94/1069276494.db2.gz XXUFAYLIPUDWRK-LJQANCHMSA-N 1 0 450.539 4.164 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c(Cl)nn2)c1 ZINC001164429943 718947432 /nfs/dbraw/zinc/94/74/32/718947432.db2.gz RACRTTAGMAVWPK-FXAWDEMLSA-N 1 0 457.868 4.326 20 5 JIBDRO Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164707702 719899259 /nfs/dbraw/zinc/89/92/59/719899259.db2.gz VMMGOTIAYUCOMR-UHFFFAOYSA-N 1 0 465.579 4.293 20 5 JIBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001164825461 720321060 /nfs/dbraw/zinc/32/10/60/720321060.db2.gz FFYLEFCFXXBDPL-LEWJYISDSA-N 1 0 464.013 4.348 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164841227 720681913 /nfs/dbraw/zinc/68/19/13/720681913.db2.gz IMIUPUBRJOBKBP-GOSISDBHSA-N 1 0 466.916 4.448 20 5 JIBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Oc5ccnc(Cl)c5)c(F)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772296 721134291 /nfs/dbraw/zinc/13/42/91/721134291.db2.gz VJLIEMALTRGTMH-IRXDYDNUSA-N 1 0 486.935 4.266 20 5 JIBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)C3)O2)CC1 ZINC001164883875 721414518 /nfs/dbraw/zinc/41/45/18/721414518.db2.gz CEJHXDNHUPKADI-HFZDXXHNSA-N 1 0 466.029 4.202 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164789376 721454746 /nfs/dbraw/zinc/45/47/46/721454746.db2.gz VDTJGVWJNZEHOF-JOCHJYFZSA-N 1 0 468.598 4.185 20 5 JIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@H]2CCCO[C@H]12 ZINC001164809232 721561573 /nfs/dbraw/zinc/56/15/73/721561573.db2.gz WEPYJOVFQUFQCX-MZKRTTBSSA-N 1 0 453.930 4.060 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]21 ZINC001165026762 721831903 /nfs/dbraw/zinc/83/19/03/721831903.db2.gz QAZJXTUKNIKIAS-UIAACRFSSA-N 1 0 452.946 4.323 20 5 JIBDRO COCC1=CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001315865023 1065280088 /nfs/dbraw/zinc/28/00/88/1065280088.db2.gz NPNLQDGYXVXADJ-UHFFFAOYSA-N 1 0 468.602 4.291 20 5 JIBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCCC2)C[C@H]1C(F)(F)F ZINC001316488868 1066418168 /nfs/dbraw/zinc/41/81/68/1066418168.db2.gz WEVXXNHDRIQQHG-VQIMIIECSA-N 1 0 466.508 4.364 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCCC2(C)C)CC1 ZINC001300782856 1067340003 /nfs/dbraw/zinc/34/00/03/1067340003.db2.gz RSKCWEVKCLYGSK-UHFFFAOYSA-N 1 0 456.591 4.122 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(C3CC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC001300784904 1067345054 /nfs/dbraw/zinc/34/50/54/1067345054.db2.gz GYLYKFZLIOLXDL-UHFFFAOYSA-N 1 0 470.618 4.368 20 5 JIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001356353722 1067733804 /nfs/dbraw/zinc/73/38/04/1067733804.db2.gz VIWPVPHIVWJZTC-UHFFFAOYSA-N 1 0 450.358 4.467 20 5 JIBDRO C[C@H]1C[C@@H](CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC001356500285 1067764763 /nfs/dbraw/zinc/76/47/63/1067764763.db2.gz AGVIIKOVLXPJKO-DZGCQCFKSA-N 1 0 452.374 4.449 20 5 JIBDRO CCCN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001357521961 1067863957 /nfs/dbraw/zinc/86/39/57/1067863957.db2.gz XACZTNRGEYPYAB-QFIPXVFZSA-N 1 0 454.527 4.339 20 5 JIBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC001473302708 1067890464 /nfs/dbraw/zinc/89/04/64/1067890464.db2.gz VWVWKAVFLPOIBB-MZMPZRCHSA-N 1 0 454.365 4.483 20 5 JIBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001164734428 720535466 /nfs/dbraw/zinc/53/54/66/720535466.db2.gz IIGIZFMZMWLCAU-HNNXBMFYSA-N 1 0 476.915 4.250 20 5 JIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837585 720642752 /nfs/dbraw/zinc/64/27/52/720642752.db2.gz DEPPAIDOAHXBQA-WSTZPKSXSA-N 1 0 454.962 4.371 20 5 JIBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164755923 720883223 /nfs/dbraw/zinc/88/32/23/720883223.db2.gz NIHRORYGHGXVAB-HOFKKMOUSA-N 1 0 473.577 4.293 20 5 JIBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@H]2C1 ZINC001164855992 720892603 /nfs/dbraw/zinc/89/26/03/720892603.db2.gz FDNUPKGYYBZZFL-LAUBAEHRSA-N 1 0 496.942 4.029 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164788746 721468554 /nfs/dbraw/zinc/46/85/54/721468554.db2.gz JJBFUZZEDPPVBW-DEOSSOPVSA-N 1 0 495.624 4.094 20 5 JIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164793176 721492886 /nfs/dbraw/zinc/49/28/86/721492886.db2.gz OXQFDHDYKPEULO-UHFFFAOYSA-N 1 0 451.905 4.464 20 5 JIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904933 721695883 /nfs/dbraw/zinc/69/58/83/721695883.db2.gz HRPXTRVFPUXYMR-SFHVURJKSA-N 1 0 458.296 4.429 20 5 JIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906684 721696027 /nfs/dbraw/zinc/69/60/27/721696027.db2.gz OMUYNYZPCBELEC-NRFANRHFSA-N 1 0 474.899 4.324 20 5 JIBDRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164913154 721729209 /nfs/dbraw/zinc/72/92/09/721729209.db2.gz ULNHOTJHNZTQCQ-DEOSSOPVSA-N 1 0 480.519 4.493 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001165021372 721807796 /nfs/dbraw/zinc/80/77/96/721807796.db2.gz GOKJESWPESJIQZ-DKSSEZFCSA-N 1 0 451.905 4.320 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)CC3)C2)cc1 ZINC001164941404 721933760 /nfs/dbraw/zinc/93/37/60/721933760.db2.gz HMYXEJHNWNPKGJ-UHFFFAOYSA-N 1 0 467.957 4.371 20 5 JIBDRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001359411379 1069526564 /nfs/dbraw/zinc/52/65/64/1069526564.db2.gz KCVYJMYMYHLZKN-BVVFMGSASA-N 1 0 497.644 4.001 20 5 JIBDRO CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(F)(F)F ZINC001359594419 1070041880 /nfs/dbraw/zinc/04/18/80/1070041880.db2.gz YWSDGIJDXWMLQL-QGZVFWFLSA-N 1 0 452.481 4.116 20 5 JIBDRO COCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001316027998 1065639270 /nfs/dbraw/zinc/63/92/70/1065639270.db2.gz SFSCQGCQFGDTGM-UHFFFAOYSA-N 1 0 492.571 4.227 20 5 JIBDRO COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCC(C)CC1)[C@@H]1CC[C@@H](C)C1 ZINC001316078858 1065722546 /nfs/dbraw/zinc/72/25/46/1065722546.db2.gz LAWSDYVMDJVHMV-IFMALSPDSA-N 1 0 470.618 4.227 20 5 JIBDRO C[NH+]1CCN(c2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC001326383342 1066294810 /nfs/dbraw/zinc/29/48/10/1066294810.db2.gz ZFCGEVKIUNWCPC-UHFFFAOYSA-N 1 0 462.575 4.428 20 5 JIBDRO CC1CC[NH+]([C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c2cccs2)CC1 ZINC001351007936 1067031002 /nfs/dbraw/zinc/03/10/02/1067031002.db2.gz MVXFSJJVPQQUGY-HXUWFJFHSA-N 1 0 457.531 4.184 20 5 JIBDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C2)ccn1 ZINC001351117371 1067048376 /nfs/dbraw/zinc/04/83/76/1067048376.db2.gz LUKOWVHTHUFQQK-GOSISDBHSA-N 1 0 456.934 4.084 20 5 JIBDRO CO[C@@H]1CCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300732481 1067171489 /nfs/dbraw/zinc/17/14/89/1067171489.db2.gz RYEYBTBUNAEWGQ-FYYLOGMGSA-N 1 0 470.618 4.225 20 5 JIBDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001322601657 1067305989 /nfs/dbraw/zinc/30/59/89/1067305989.db2.gz RFRCMKAEYZBZTK-UHFFFAOYSA-N 1 0 460.918 4.243 20 5 JIBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC001200831591 1067314729 /nfs/dbraw/zinc/31/47/29/1067314729.db2.gz XVPUGZFAIIEDMI-LIRRHRJNSA-N 1 0 455.902 4.058 20 5 JIBDRO CCC[NH+]1CCN(c2ccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cc2Cl)CC1 ZINC001355715080 1067560748 /nfs/dbraw/zinc/56/07/48/1067560748.db2.gz DCIFSQNSIBDTQQ-UHFFFAOYSA-N 1 0 455.946 4.374 20 5 JIBDRO CSc1ccc(C(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC001357904222 1067935786 /nfs/dbraw/zinc/93/57/86/1067935786.db2.gz DKXNELIABPEKRH-ROUUACIJSA-N 1 0 457.596 4.256 20 5 JIBDRO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)c(C(F)(F)F)c2)CC1 ZINC001354199467 1068971820 /nfs/dbraw/zinc/97/18/20/1068971820.db2.gz ASNFLGYJJWJEQS-UHFFFAOYSA-N 1 0 456.852 4.200 20 5 JIBDRO 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 1069058560 /nfs/dbraw/zinc/05/85/60/1069058560.db2.gz QLJRMLWGAMZSQQ-BJKOFHAPSA-N 1 0 491.548 4.000 20 5 JIBDRO 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 1069058570 /nfs/dbraw/zinc/05/85/70/1069058570.db2.gz QLJRMLWGAMZSQQ-DNQXCXABSA-N 1 0 491.548 4.000 20 5 JIBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844222 720665851 /nfs/dbraw/zinc/66/58/51/720665851.db2.gz YTQXPROYESVAGI-GOSISDBHSA-N 1 0 488.972 4.080 20 5 JIBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840933 720666875 /nfs/dbraw/zinc/66/68/75/720666875.db2.gz NYVPJAVRKMYUMX-MRXNPFEDSA-N 1 0 463.991 4.020 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164842629 720676741 /nfs/dbraw/zinc/67/67/41/720676741.db2.gz LTISFYMBORSROI-IBGZPJMESA-N 1 0 467.957 4.451 20 5 JIBDRO Cc1cc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164756541 720882034 /nfs/dbraw/zinc/88/20/34/720882034.db2.gz QDXPFMCRLHXGGU-RDPSFJRHSA-N 1 0 471.989 4.102 20 5 JIBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc21 ZINC001164758098 720886288 /nfs/dbraw/zinc/88/62/88/720886288.db2.gz WUTMLBFMNSHOSA-AJTFRIOCSA-N 1 0 473.577 4.293 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164785218 721455206 /nfs/dbraw/zinc/45/52/06/721455206.db2.gz HKAZVCRXAURYOH-INIZCTEOSA-N 1 0 473.401 4.031 20 5 JIBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164793787 721490616 /nfs/dbraw/zinc/49/06/16/721490616.db2.gz WMORQYVPYWLQJS-UHFFFAOYSA-N 1 0 473.961 4.096 20 5 JIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164792512 721492508 /nfs/dbraw/zinc/49/25/08/721492508.db2.gz PYEBFFXSYFGGPH-UHFFFAOYSA-N 1 0 452.946 4.467 20 5 JIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906659 721695426 /nfs/dbraw/zinc/69/54/26/721695426.db2.gz OCORWZUVBMKJIF-OAQYLSRUSA-N 1 0 474.899 4.324 20 5 JIBDRO 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 721805707 /nfs/dbraw/zinc/80/57/07/721805707.db2.gz AGRNZNOMZUXDRM-DJIMGWMZSA-N 1 0 451.905 4.320 20 5 JIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001165021260 721844382 /nfs/dbraw/zinc/84/43/82/721844382.db2.gz JULPAAUDNNWLPT-UHFFFAOYSA-N 1 0 463.538 4.170 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)CC3)C2)cc1 ZINC001164939341 721923889 /nfs/dbraw/zinc/92/38/89/721923889.db2.gz JHACSFDUJHVMML-UHFFFAOYSA-N 1 0 467.957 4.371 20 5 JIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)o2)c([N+](=O)[O-])c1 ZINC001200702720 1069327301 /nfs/dbraw/zinc/32/73/01/1069327301.db2.gz FQFSDUMPJSPHSX-CJAUYULYSA-N 1 0 451.523 4.243 20 5 JIBDRO CC(C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001359698786 1070359888 /nfs/dbraw/zinc/35/98/88/1070359888.db2.gz KUQZKCYAUZGDFM-IBGZPJMESA-N 1 0 458.611 4.002 20 5 JIBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001315902005 1065377819 /nfs/dbraw/zinc/37/78/19/1065377819.db2.gz IRNDKUHTAZDLBV-PMACEKPBSA-N 1 0 484.645 4.473 20 5 JIBDRO COCC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315992881 1065568083 /nfs/dbraw/zinc/56/80/83/1065568083.db2.gz JPWMHPSJZHNYRM-WMZHIEFXSA-N 1 0 470.618 4.227 20 5 JIBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H](C)C1(F)F ZINC001316494647 1066438923 /nfs/dbraw/zinc/43/89/23/1066438923.db2.gz DNPXNDLPXNOUSI-MRUHUIDDSA-N 1 0 480.585 4.018 20 5 JIBDRO O=C(C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCCCC2)CC1)C(F)(F)F ZINC001316554082 1066568955 /nfs/dbraw/zinc/56/89/55/1066568955.db2.gz KQNPLIZIPNGDQN-UHFFFAOYSA-N 1 0 494.518 4.077 20 5 JIBDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001350569176 1066973065 /nfs/dbraw/zinc/97/30/65/1066973065.db2.gz PNCNRNPWIJHWNP-RCZVLFRGSA-N 1 0 450.583 4.038 20 5 JIBDRO O=[N+]([O-])c1cc(I)cc(CNC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC001200105191 1067628439 /nfs/dbraw/zinc/62/84/39/1067628439.db2.gz AUIZYWFWYVLWJN-SFHVURJKSA-N 1 0 457.356 4.334 20 5 JIBDRO C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001300161932 1067816766 /nfs/dbraw/zinc/81/67/66/1067816766.db2.gz DRJYWFFQZHIXDN-BGYRXZFFSA-N 1 0 454.571 4.055 20 5 JIBDRO Cc1ccc(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1NC(=O)CC[NH+](C)C ZINC001358452364 1068095128 /nfs/dbraw/zinc/09/51/28/1068095128.db2.gz VPJLXTNVKKBEMR-UHFFFAOYSA-N 1 0 453.524 4.169 20 5 JIBDRO CC(C)CCSc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC001300568072 1069065156 /nfs/dbraw/zinc/06/51/56/1069065156.db2.gz WVBUANMUACIMNG-NRFANRHFSA-N 1 0 457.596 4.230 20 5 JIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CN3CCN(c4ccccc4)CC3)o2)c([N+](=O)[O-])c1 ZINC001200683598 1069276169 /nfs/dbraw/zinc/27/61/69/1069276169.db2.gz XXUFAYLIPUDWRK-IBGZPJMESA-N 1 0 450.539 4.164 20 5 JIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)cc1 ZINC001354529238 1069303677 /nfs/dbraw/zinc/30/36/77/1069303677.db2.gz JLQPVZQLTXFQGZ-OAHLLOKOSA-N 1 0 458.465 4.046 20 5 JIBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c(Cl)nn1 ZINC001164427883 718948524 /nfs/dbraw/zinc/94/85/24/718948524.db2.gz GZEWKJVENPIFOY-LPHOPBHVSA-N 1 0 457.868 4.326 20 5 JIBDRO Cc1ccc(-c2nc3sccc3c(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)n2)cc1[N+](=O)[O-] ZINC001164680532 719640718 /nfs/dbraw/zinc/64/07/18/719640718.db2.gz UXNVBFVXRILVED-UHFFFAOYSA-N 1 0 477.594 4.247 20 5 JIBDRO 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 720644573 /nfs/dbraw/zinc/64/45/73/720644573.db2.gz LKJODKVWVXYHJU-BVSLBCMMSA-N 1 0 464.545 4.370 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164842630 720676566 /nfs/dbraw/zinc/67/65/66/720676566.db2.gz LTISFYMBORSROI-LJQANCHMSA-N 1 0 467.957 4.451 20 5 JIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751640 720880865 /nfs/dbraw/zinc/88/08/65/720880865.db2.gz LNQLUALNQQRVJV-MBSDFSHPSA-N 1 0 492.407 4.447 20 5 JIBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164758770 720886757 /nfs/dbraw/zinc/88/67/57/720886757.db2.gz ZCZPKBMGNQWUNU-YIXXDRMTSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164758769 720886831 /nfs/dbraw/zinc/88/68/31/720886831.db2.gz ZCZPKBMGNQWUNU-WNCULLNHSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc21 ZINC001164749894 720887636 /nfs/dbraw/zinc/88/76/36/720887636.db2.gz AVXCLIXFUGQOKX-CUNXSJBXSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906157 721701555 /nfs/dbraw/zinc/70/15/55/721701555.db2.gz LWLKCGPSSNXYKH-SFHVURJKSA-N 1 0 458.296 4.429 20 5 JIBDRO 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 721801237 /nfs/dbraw/zinc/80/12/37/721801237.db2.gz UZMNMPCWGWYQDN-FHLIZLRMSA-N 1 0 451.905 4.320 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)CC3)C2)cc1 ZINC001164938825 721921329 /nfs/dbraw/zinc/92/13/29/721921329.db2.gz RYCLUHHNGDJTCP-UHFFFAOYSA-N 1 0 466.916 4.368 20 5 JIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)ccc1Cl ZINC001164963411 722061589 /nfs/dbraw/zinc/06/15/89/722061589.db2.gz YUJYAIUVUNSCBF-UHFFFAOYSA-N 1 0 494.983 4.219 20 5 JIBDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)CC1 ZINC001359548304 1069854728 /nfs/dbraw/zinc/85/47/28/1069854728.db2.gz VQYMTIDGIAUCBQ-UHFFFAOYSA-N 1 0 469.977 4.261 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001300784373 1067343812 /nfs/dbraw/zinc/34/38/12/1067343812.db2.gz AMCFLQXQFUSRLF-UHFFFAOYSA-N 1 0 498.653 4.364 20 5 JIBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001352864766 1067772829 /nfs/dbraw/zinc/77/28/29/1067772829.db2.gz XKJRMPTXXHBGDD-UHFFFAOYSA-N 1 0 459.852 4.393 20 5 JIBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356622785 1067794133 /nfs/dbraw/zinc/79/41/33/1067794133.db2.gz BWBZKCDGVYBVQP-LJQANCHMSA-N 1 0 451.552 4.278 20 5 JIBDRO 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 1067858661 /nfs/dbraw/zinc/85/86/61/1067858661.db2.gz GMBYITRDGISVNO-CEWLAPEOSA-N 1 0 452.511 4.150 20 5 JIBDRO C[NH+](C)CCc1ccc(NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001358489395 1068113435 /nfs/dbraw/zinc/11/34/35/1068113435.db2.gz QERTXYDYWPHDEV-XMMPIXPASA-N 1 0 456.543 4.078 20 5 JIBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC001358489580 1068115499 /nfs/dbraw/zinc/11/54/99/1068115499.db2.gz VISMMIZURPRPQZ-IBGZPJMESA-N 1 0 456.568 4.261 20 5 JIBDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccn1 ZINC001200384103 1068341016 /nfs/dbraw/zinc/34/10/16/1068341016.db2.gz NZKOTTGQUWVORE-UHFFFAOYSA-N 1 0 451.483 4.044 20 5 JIBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC001354209149 1068979098 /nfs/dbraw/zinc/97/90/98/1068979098.db2.gz DJXDGUOVZWIHIR-KPZWWZAWSA-N 1 0 455.483 4.079 20 5 JIBDRO 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 1069057352 /nfs/dbraw/zinc/05/73/52/1069057352.db2.gz QLJRMLWGAMZSQQ-ZEQRLZLVSA-N 1 0 491.548 4.000 20 5 JIBDRO CC(C)N(C)Cc1nn(-c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164682614 719623093 /nfs/dbraw/zinc/62/30/93/719623093.db2.gz OODLYSCLELQLLB-UHFFFAOYSA-N 1 0 474.924 4.246 20 5 JIBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001164734430 720535677 /nfs/dbraw/zinc/53/56/77/720535677.db2.gz IIGIZFMZMWLCAU-OAHLLOKOSA-N 1 0 476.915 4.250 20 5 JIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001164838789 720606695 /nfs/dbraw/zinc/60/66/95/720606695.db2.gz LXIMHLVULUHAEX-MDKPJZGXSA-N 1 0 454.962 4.371 20 5 JIBDRO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164756540 720882333 /nfs/dbraw/zinc/88/23/33/720882333.db2.gz QDXPFMCRLHXGGU-HYBUGGRVSA-N 1 0 471.989 4.102 20 5 JIBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@@H]2C1 ZINC001164855993 720892467 /nfs/dbraw/zinc/89/24/67/720892467.db2.gz FDNUPKGYYBZZFL-UTKZUKDTSA-N 1 0 496.942 4.029 20 5 JIBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)C3)O2)CC1 ZINC001164883879 721415001 /nfs/dbraw/zinc/41/50/01/721415001.db2.gz CEJHXDNHUPKADI-RLWLMLJZSA-N 1 0 466.029 4.202 20 5 JIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164791567 721493389 /nfs/dbraw/zinc/49/33/89/721493389.db2.gz DPKCQBOIUWXGCG-UHFFFAOYSA-N 1 0 451.905 4.464 20 5 JIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906155 721701494 /nfs/dbraw/zinc/70/14/94/721701494.db2.gz LWLKCGPSSNXYKH-GOSISDBHSA-N 1 0 458.296 4.429 20 5 JIBDRO 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 721824360 /nfs/dbraw/zinc/82/43/60/721824360.db2.gz FRKIWECGOFZNES-AEGPPILISA-N 1 0 470.883 4.189 20 5 JIBDRO 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 721824362 /nfs/dbraw/zinc/82/43/62/721824362.db2.gz FRKIWECGOFZNES-VHDGCEQUSA-N 1 0 470.883 4.189 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940556 721923981 /nfs/dbraw/zinc/92/39/81/721923981.db2.gz TWHNGHFMKHKLOM-UHFFFAOYSA-N 1 0 451.354 4.476 20 5 JIBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CN1CCOc1ccccc1 ZINC001200713284 1069361593 /nfs/dbraw/zinc/36/15/93/1069361593.db2.gz CCEDSVIKINAOJB-QGZVFWFLSA-N 1 0 455.898 4.278 20 5 JIBDRO COCC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315992879 1065568176 /nfs/dbraw/zinc/56/81/76/1065568176.db2.gz JPWMHPSJZHNYRM-CVDCTZTESA-N 1 0 470.618 4.227 20 5 JIBDRO COCC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315992877 1065568205 /nfs/dbraw/zinc/56/82/05/1065568205.db2.gz JPWMHPSJZHNYRM-AUSIDOKSSA-N 1 0 470.618 4.227 20 5 JIBDRO COc1cc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)ccc1OCC(=O)N(C)C ZINC001322600317 1067305065 /nfs/dbraw/zinc/30/50/65/1067305065.db2.gz IYKMZHQESPBHNK-UHFFFAOYSA-N 1 0 473.913 4.274 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001300782416 1067339117 /nfs/dbraw/zinc/33/91/17/1067339117.db2.gz MGIUBBAVHBEQAM-UHFFFAOYSA-N 1 0 499.641 4.144 20 5 JIBDRO CC[NH+](CC)CCN(C(=O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001355374011 1067436705 /nfs/dbraw/zinc/43/67/05/1067436705.db2.gz ASNGGILZQMHOBF-UHFFFAOYSA-N 1 0 450.333 4.111 20 5 JIBDRO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001352881725 1067781264 /nfs/dbraw/zinc/78/12/64/1067781264.db2.gz XIHHHIBCKRWWJW-UHFFFAOYSA-N 1 0 459.930 4.148 20 5 JIBDRO CSc1cccc(N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C2CC[NH+](C)CC2)c1 ZINC001353441467 1068137147 /nfs/dbraw/zinc/13/71/47/1068137147.db2.gz BGFVMMJZFBGYRS-UHFFFAOYSA-N 1 0 451.552 4.243 20 5 JIBDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001200472666 1068682157 /nfs/dbraw/zinc/68/21/57/1068682157.db2.gz VXMDECOKGIFRMU-DEOSSOPVSA-N 1 0 458.461 4.458 20 5 JIBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC001354209151 1068979336 /nfs/dbraw/zinc/97/93/36/1068979336.db2.gz DJXDGUOVZWIHIR-SGTLLEGYSA-N 1 0 455.483 4.079 20 5 JIBDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000849565850 1069216533 /nfs/dbraw/zinc/21/65/33/1069216533.db2.gz WSUDJMBTGYMQJT-SJORKVTESA-N 1 0 457.581 4.215 20 5 JIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC001164838791 720607437 /nfs/dbraw/zinc/60/74/37/720607437.db2.gz LXIMHLVULUHAEX-MMOPVJDHSA-N 1 0 454.962 4.371 20 5 JIBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc21 ZINC001164749890 720887820 /nfs/dbraw/zinc/88/78/20/720887820.db2.gz AVXCLIXFUGQOKX-AMGIVPHBSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867472 721088565 /nfs/dbraw/zinc/08/85/65/721088565.db2.gz YMDILMFIQPGIHL-IEBWSBKVSA-N 1 0 499.930 4.449 20 5 JIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)ccc1F ZINC001164913826 721731378 /nfs/dbraw/zinc/73/13/78/721731378.db2.gz YNZLKWXIHFYDFM-HSZRJFAPSA-N 1 0 484.482 4.324 20 5 JIBDRO 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 721824271 /nfs/dbraw/zinc/82/42/71/721824271.db2.gz FRKIWECGOFZNES-NWANDNLSSA-N 1 0 470.883 4.189 20 5 JIBDRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027760 721826421 /nfs/dbraw/zinc/82/64/21/721826421.db2.gz TYPNOWBHGHECDV-ZTCOLXNVSA-N 1 0 458.566 4.492 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001165020650 721828490 /nfs/dbraw/zinc/82/84/90/721828490.db2.gz DBEHGDPXJNBCLF-GREBRCKQSA-N 1 0 462.529 4.323 20 5 JIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001165023139 721843547 /nfs/dbraw/zinc/84/35/47/721843547.db2.gz XRRORDHSILSXPM-UHFFFAOYSA-N 1 0 463.538 4.170 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)CC3)C2)cc1 ZINC001164938650 721932606 /nfs/dbraw/zinc/93/26/06/721932606.db2.gz CTEPMBNOYKEIFK-UHFFFAOYSA-N 1 0 477.540 4.371 20 5 JIBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968197 722077858 /nfs/dbraw/zinc/07/78/58/722077858.db2.gz VQNDYFXCIZNVAR-SZPZYZBQSA-N 1 0 460.534 4.021 20 5 JIBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545955 1069321162 /nfs/dbraw/zinc/32/11/62/1069321162.db2.gz SLZQOEJJQCAIKN-KRWDZBQOSA-N 1 0 451.445 4.130 20 5 JIBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H]3CN(Cc4ccccc4)CCO3)o2)c([N+](=O)[O-])c1 ZINC001200702721 1069327544 /nfs/dbraw/zinc/32/75/44/1069327544.db2.gz FQFSDUMPJSPHSX-IQGLISFBSA-N 1 0 451.523 4.243 20 5 JIBDRO CC(C)(C)Cc1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001359539210 1069836078 /nfs/dbraw/zinc/83/60/78/1069836078.db2.gz XQZAPTIBIGMXIE-UHFFFAOYSA-N 1 0 483.661 4.368 20 5 JIBDRO CSC1(Cn2c(C(C)C)nnc2N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[NH+](C)CC1 ZINC001316397733 1066175602 /nfs/dbraw/zinc/17/56/02/1066175602.db2.gz DPZBEMDYWXXPNK-UHFFFAOYSA-N 1 0 458.632 4.306 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCSCC(F)(F)F)c1 ZINC001316582633 1066598733 /nfs/dbraw/zinc/59/87/33/1066598733.db2.gz SGSLJGOVNDKLHW-GOSISDBHSA-N 1 0 484.548 4.213 20 5 JIBDRO CO[C@H]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300732483 1067171623 /nfs/dbraw/zinc/17/16/23/1067171623.db2.gz RYEYBTBUNAEWGQ-GMAHTHKFSA-N 1 0 470.618 4.225 20 5 JIBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 ZINC000522270453 1068339305 /nfs/dbraw/zinc/33/93/05/1068339305.db2.gz XCWBACLVGMKVCO-UHFFFAOYSA-N 1 0 468.564 4.366 20 5 JIBDRO CC(C)(C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001354134835 1068921309 /nfs/dbraw/zinc/92/13/09/1068921309.db2.gz XIJOQJFUYWOFAD-UHFFFAOYSA-N 1 0 456.518 4.465 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c(Cl)nn2)c1 ZINC001164429945 718947772 /nfs/dbraw/zinc/94/77/72/718947772.db2.gz RACRTTAGMAVWPK-PXNSSMCTSA-N 1 0 457.868 4.326 20 5 JIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680721 719664725 /nfs/dbraw/zinc/66/47/25/719664725.db2.gz IDYMWHBHYPDODJ-GOSISDBHSA-N 1 0 486.016 4.045 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)c2ccccc21 ZINC001164680084 719676617 /nfs/dbraw/zinc/67/66/17/719676617.db2.gz BQJNBQQHQJBNAI-OAQYLSRUSA-N 1 0 487.604 4.236 20 5 JIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164694994 719890035 /nfs/dbraw/zinc/89/00/35/719890035.db2.gz IXPWLISMIZHEDQ-UHFFFAOYSA-N 1 0 459.959 4.124 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164718645 720109026 /nfs/dbraw/zinc/10/90/26/720109026.db2.gz UGOKEJXHDXTKTJ-GOSISDBHSA-N 1 0 481.931 4.091 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164716228 720158249 /nfs/dbraw/zinc/15/82/49/720158249.db2.gz ZCQNPMUJBXBKHJ-IBGZPJMESA-N 1 0 482.972 4.094 20 5 JIBDRO 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 720621227 /nfs/dbraw/zinc/62/12/27/720621227.db2.gz UIMQCQFXKJCYCO-TUACAJSNSA-N 1 0 475.597 4.189 20 5 JIBDRO 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 720622018 /nfs/dbraw/zinc/62/20/18/720622018.db2.gz UIMQCQFXKJCYCO-FGCOXFRFSA-N 1 0 475.597 4.189 20 5 JIBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164758766 720887147 /nfs/dbraw/zinc/88/71/47/720887147.db2.gz ZCZPKBMGNQWUNU-KCWPFWIISA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867476 721088865 /nfs/dbraw/zinc/08/88/65/721088865.db2.gz YMDILMFIQPGIHL-PKOBYXMFSA-N 1 0 499.930 4.449 20 5 JIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)ccc1Cl ZINC001164909198 721562096 /nfs/dbraw/zinc/56/20/96/721562096.db2.gz SVFSHXTVHNJZEP-IEBWSBKVSA-N 1 0 469.904 4.186 20 5 JIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]12 ZINC001164808854 721579305 /nfs/dbraw/zinc/57/93/05/721579305.db2.gz QWBRQUIRAJPLRH-XKCSPQBFSA-N 1 0 453.930 4.060 20 5 JIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]21 ZINC001164808850 721579525 /nfs/dbraw/zinc/57/95/25/721579525.db2.gz QWBRQUIRAJPLRH-LSWJPFSZSA-N 1 0 453.930 4.060 20 5 JIBDRO 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 1065001157 /nfs/dbraw/zinc/00/11/57/1065001157.db2.gz CWOUQLFDXJFQNR-MIZPHKNDSA-N 1 0 470.618 4.083 20 5 JIBDRO COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCC(C)CC1)[C@@H]1CC[C@H](C)C1 ZINC001316078860 1065722571 /nfs/dbraw/zinc/72/25/71/1065722571.db2.gz LAWSDYVMDJVHMV-RBBKRZOGSA-N 1 0 470.618 4.227 20 5 JIBDRO CSC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001316364073 1066101702 /nfs/dbraw/zinc/10/17/02/1066101702.db2.gz FAGJDRWRESXWTN-UHFFFAOYSA-N 1 0 486.667 4.421 20 5 JIBDRO CS[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001316376114 1066137644 /nfs/dbraw/zinc/13/76/44/1066137644.db2.gz OSRFMUFNAJIILO-GOSISDBHSA-N 1 0 458.632 4.307 20 5 JIBDRO CS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001316424023 1066238518 /nfs/dbraw/zinc/23/85/18/1066238518.db2.gz RETDYOJDXZGDBC-KNQAVFIVSA-N 1 0 476.672 4.013 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)cc1 ZINC001321709286 1067202306 /nfs/dbraw/zinc/20/23/06/1067202306.db2.gz XGLQAJABTXLRSF-UHFFFAOYSA-N 1 0 451.445 4.192 20 5 JIBDRO CN(C)c1cc(F)c(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC001300049433 1067505727 /nfs/dbraw/zinc/50/57/27/1067505727.db2.gz JCQCRDNBTBKECP-UHFFFAOYSA-N 1 0 454.546 4.318 20 5 JIBDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001353871749 1068698628 /nfs/dbraw/zinc/69/86/28/1068698628.db2.gz ZSKHPARORJTRNH-RCZVLFRGSA-N 1 0 450.583 4.038 20 5 JIBDRO COC(=O)c1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC001353990198 1068819898 /nfs/dbraw/zinc/81/98/98/1068819898.db2.gz PLADOVUGLSAQQI-SHQCIBLASA-N 1 0 473.529 4.410 20 5 JIBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC001354209152 1068979249 /nfs/dbraw/zinc/97/92/49/1068979249.db2.gz DJXDGUOVZWIHIR-XIKOKIGWSA-N 1 0 455.483 4.079 20 5 JIBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)c(Cl)nn1 ZINC001164427888 718947964 /nfs/dbraw/zinc/94/79/64/718947964.db2.gz GZEWKJVENPIFOY-VQIMIIECSA-N 1 0 457.868 4.326 20 5 JIBDRO Cc1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164680812 719663890 /nfs/dbraw/zinc/66/38/90/719663890.db2.gz JBGIQQQZJXRXFU-GOSISDBHSA-N 1 0 486.016 4.045 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)c2ccccc21 ZINC001164682137 719683482 /nfs/dbraw/zinc/68/34/82/719683482.db2.gz BTNHYJAMJMCZKW-OAQYLSRUSA-N 1 0 487.604 4.236 20 5 JIBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ccc21 ZINC001164749885 720887582 /nfs/dbraw/zinc/88/75/82/720887582.db2.gz AVXCLIXFUGQOKX-AJTFRIOCSA-N 1 0 473.577 4.293 20 5 JIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)[C@@H]2C ZINC001164863070 721013358 /nfs/dbraw/zinc/01/33/58/721013358.db2.gz SQPYYNFTSJZFBR-OAHLLOKOSA-N 1 0 455.950 4.323 20 5 JIBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164759211 721045466 /nfs/dbraw/zinc/04/54/66/721045466.db2.gz LIKSZNDTQZZRCA-UHFFFAOYSA-N 1 0 452.555 4.358 20 5 JIBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Oc5ccnc(Cl)c5)c(F)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772294 721134845 /nfs/dbraw/zinc/13/48/45/721134845.db2.gz VJLIEMALTRGTMH-DLBZAZTESA-N 1 0 486.935 4.266 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164785221 721455326 /nfs/dbraw/zinc/45/53/26/721455326.db2.gz HKAZVCRXAURYOH-MRXNPFEDSA-N 1 0 473.401 4.031 20 5 JIBDRO 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 721824206 /nfs/dbraw/zinc/82/42/06/721824206.db2.gz FRKIWECGOFZNES-BPLDGKMQSA-N 1 0 470.883 4.189 20 5 JIBDRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027758 721826400 /nfs/dbraw/zinc/82/64/00/721826400.db2.gz TYPNOWBHGHECDV-TUACAJSNSA-N 1 0 458.566 4.492 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)CC3)C2)cc1 ZINC001164940622 721932204 /nfs/dbraw/zinc/93/22/04/721932204.db2.gz UUDQGGHQIFHKNC-UHFFFAOYSA-N 1 0 459.550 4.232 20 5 JIBDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)c2ccccn2)CC1 ZINC001359594012 1070039811 /nfs/dbraw/zinc/03/98/11/1070039811.db2.gz KOGHRDQSSMBEAA-UHFFFAOYSA-N 1 0 463.586 4.147 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001315717030 1065007121 /nfs/dbraw/zinc/00/71/21/1065007121.db2.gz LCHMGVWEHSWPPD-WMZHIEFXSA-N 1 0 470.618 4.369 20 5 JIBDRO CS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001316424024 1066238461 /nfs/dbraw/zinc/23/84/61/1066238461.db2.gz RETDYOJDXZGDBC-SIKLNZKXSA-N 1 0 476.672 4.013 20 5 JIBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C[NH+](C)C)C[C@H]1C(F)(F)F ZINC001316488267 1066415025 /nfs/dbraw/zinc/41/50/25/1066415025.db2.gz GQVDCNQANMSZCH-RHSMWYFYSA-N 1 0 454.497 4.076 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2CC[NH+]2CCCCC2)c1 ZINC001316583032 1066600268 /nfs/dbraw/zinc/60/02/68/1066600268.db2.gz WUSPURMZZWYRJI-KRWDZBQOSA-N 1 0 452.481 4.118 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCSC(F)(F)F)c1 ZINC001316582988 1066600362 /nfs/dbraw/zinc/60/03/62/1066600362.db2.gz RWUSGEGSIAXKQW-UHFFFAOYSA-N 1 0 470.521 4.171 20 5 JIBDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001349428024 1066840440 /nfs/dbraw/zinc/84/04/40/1066840440.db2.gz LZMOQNDFMXNLJP-UHFFFAOYSA-N 1 0 451.552 4.259 20 5 JIBDRO CC[NH+](CC)C1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC001318330266 1067019987 /nfs/dbraw/zinc/01/99/87/1067019987.db2.gz JPWNXTSQFJAZCP-UHFFFAOYSA-N 1 0 461.566 4.323 20 5 JIBDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1 ZINC001351116947 1067048060 /nfs/dbraw/zinc/04/80/60/1067048060.db2.gz GDNIBNAKJNIKNZ-HXUWFJFHSA-N 1 0 463.376 4.246 20 5 JIBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC001354728135 1067064509 /nfs/dbraw/zinc/06/45/09/1067064509.db2.gz MPABAMLMNSKIKW-REWPJTCUSA-N 1 0 450.583 4.472 20 5 JIBDRO CO[C@@H]1CCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001300732484 1067171680 /nfs/dbraw/zinc/17/16/80/1067171680.db2.gz RYEYBTBUNAEWGQ-JTHBVZDNSA-N 1 0 470.618 4.225 20 5 JIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001358077974 1068012467 /nfs/dbraw/zinc/01/24/67/1068012467.db2.gz QJDLAURSLIXYCZ-UHFFFAOYSA-N 1 0 450.358 4.467 20 5 JIBDRO C[NH+](C)CCc1ccc(NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001358489394 1068112767 /nfs/dbraw/zinc/11/27/67/1068112767.db2.gz QERTXYDYWPHDEV-DEOSSOPVSA-N 1 0 456.543 4.078 20 5 JIBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(CCc3ccccc3)CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC001354030280 1068845830 /nfs/dbraw/zinc/84/58/30/1068845830.db2.gz XJAOITCLSIQLSW-SFTDATJTSA-N 1 0 452.599 4.324 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164429950 718947453 /nfs/dbraw/zinc/94/74/53/718947453.db2.gz RACRTTAGMAVWPK-YLJYHZDGSA-N 1 0 457.868 4.326 20 5 JIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752621 720883500 /nfs/dbraw/zinc/88/35/00/720883500.db2.gz FLUVYGNBMXMQPG-HYBUGGRVSA-N 1 0 471.989 4.102 20 5 JIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164752613 720883556 /nfs/dbraw/zinc/88/35/56/720883556.db2.gz FLUVYGNBMXMQPG-GBXCKJPGSA-N 1 0 471.989 4.102 20 5 JIBDRO O=[N+]([O-])c1cccc2nc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)ccc21 ZINC001164749897 720887772 /nfs/dbraw/zinc/88/77/72/720887772.db2.gz AVXCLIXFUGQOKX-WXVAWEFUSA-N 1 0 473.577 4.293 20 5 JIBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)[C@H]2C ZINC001164863066 721014536 /nfs/dbraw/zinc/01/45/36/721014536.db2.gz SQPYYNFTSJZFBR-HNNXBMFYSA-N 1 0 455.950 4.323 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164785866 721459183 /nfs/dbraw/zinc/45/91/83/721459183.db2.gz OEXQQNFZRSIQQZ-MRXNPFEDSA-N 1 0 473.401 4.031 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164788749 721468678 /nfs/dbraw/zinc/46/86/78/721468678.db2.gz JJBFUZZEDPPVBW-XMMPIXPASA-N 1 0 495.624 4.094 20 5 JIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907495 721693703 /nfs/dbraw/zinc/69/37/03/721693703.db2.gz UQTDJBZXZBUMHO-GOSISDBHSA-N 1 0 473.858 4.321 20 5 JIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904931 721695313 /nfs/dbraw/zinc/69/53/13/721695313.db2.gz HRPXTRVFPUXYMR-GOSISDBHSA-N 1 0 458.296 4.429 20 5 JIBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164912904 721730643 /nfs/dbraw/zinc/73/06/43/721730643.db2.gz QYGHSEGPUZMHRJ-QHCPKHFHSA-N 1 0 466.492 4.185 20 5 JIBDRO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027743 721826256 /nfs/dbraw/zinc/82/62/56/721826256.db2.gz TYPNOWBHGHECDV-NKKJXINNSA-N 1 0 458.566 4.492 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001165020654 721828590 /nfs/dbraw/zinc/82/85/90/721828590.db2.gz DBEHGDPXJNBCLF-KKLQWCBXSA-N 1 0 462.529 4.323 20 5 JIBDRO CCc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164963472 722060828 /nfs/dbraw/zinc/06/08/28/722060828.db2.gz ZMSXGQUTVHSKPP-UHFFFAOYSA-N 1 0 488.592 4.128 20 5 JIBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964503 722061873 /nfs/dbraw/zinc/06/18/73/722061873.db2.gz HEMGZIBVOQFRGE-UHFFFAOYSA-N 1 0 467.957 4.310 20 5 JIBDRO CC(C)(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CCC[NH+]1CCCC1 ZINC001359531056 1069823128 /nfs/dbraw/zinc/82/31/28/1069823128.db2.gz ANRYYQIMWWDYDC-UHFFFAOYSA-N 1 0 470.618 4.309 20 5 JIBDRO COC1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001315677664 1064915688 /nfs/dbraw/zinc/91/56/88/1064915688.db2.gz LDIFTIYIYDBQFI-UHFFFAOYSA-N 1 0 470.618 4.415 20 5 JIBDRO COCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCCCC1 ZINC001315843461 1065228450 /nfs/dbraw/zinc/22/84/50/1065228450.db2.gz AHPDVSVYHVSNDX-UHFFFAOYSA-N 1 0 470.618 4.371 20 5 JIBDRO CSC1(Cn2c(-c3ccc(C)o3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC001316402991 1066182392 /nfs/dbraw/zinc/18/23/92/1066182392.db2.gz FMPDGDTWDVABQE-UHFFFAOYSA-N 1 0 484.626 4.261 20 5 JIBDRO CC[NH+](CC)C1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC001318325670 1067018164 /nfs/dbraw/zinc/01/81/64/1067018164.db2.gz DJQSFGXSLXUUIS-UHFFFAOYSA-N 1 0 456.509 4.163 20 5 JIBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001300783705 1067342197 /nfs/dbraw/zinc/34/21/97/1067342197.db2.gz SEVLFDMTGDZBEI-MRXNPFEDSA-N 1 0 458.946 4.351 20 5 JIBDRO Cc1cc(OCC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC001352473530 1067424827 /nfs/dbraw/zinc/42/48/27/1067424827.db2.gz FKHCSFIDHKZCGU-UHFFFAOYSA-N 1 0 454.527 4.125 20 5 JIBDRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001355567017 1067512273 /nfs/dbraw/zinc/51/22/73/1067512273.db2.gz JTJUXBAVKXHWGK-UHFFFAOYSA-N 1 0 453.539 4.400 20 5 JIBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC001473302707 1067890607 /nfs/dbraw/zinc/89/06/07/1067890607.db2.gz VWVWKAVFLPOIBB-FDQGKXFDSA-N 1 0 454.365 4.483 20 5 JIBDRO COc1cc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC001473550552 1068244169 /nfs/dbraw/zinc/24/41/69/1068244169.db2.gz PCRLZOXLUJKYFC-QGZVFWFLSA-N 1 0 459.490 4.125 20 5 JIBDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849555036 1069199460 /nfs/dbraw/zinc/19/94/60/1069199460.db2.gz UVYRNLUJHVIYAX-DQEYMECFSA-N 1 0 461.566 4.376 20 5 JIBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c(Cl)nn1 ZINC001164427881 718948198 /nfs/dbraw/zinc/94/81/98/718948198.db2.gz GZEWKJVENPIFOY-APWZRJJASA-N 1 0 457.868 4.326 20 5 JIBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c(Cl)nn1 ZINC001164427886 718948393 /nfs/dbraw/zinc/94/83/93/718948393.db2.gz GZEWKJVENPIFOY-QFBILLFUSA-N 1 0 457.868 4.326 20 5 JIBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164693729 719814191 /nfs/dbraw/zinc/81/41/91/719814191.db2.gz YLFWWPKZVFIGOW-UHFFFAOYSA-N 1 0 476.912 4.457 20 5 JIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164695337 719889066 /nfs/dbraw/zinc/88/90/66/719889066.db2.gz OLDBTTPQQVWCOB-UHFFFAOYSA-N 1 0 458.918 4.121 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164841847 720676987 /nfs/dbraw/zinc/67/69/87/720676987.db2.gz JLNGDDCUIOMMPQ-GOSISDBHSA-N 1 0 467.957 4.451 20 5 JIBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755154 720905026 /nfs/dbraw/zinc/90/50/26/720905026.db2.gz ZDEYYEWOBLUHEY-YIXXDRMTSA-N 1 0 473.577 4.293 20 5 JIBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5cc4COc4ccccc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164764950 721243928 /nfs/dbraw/zinc/24/39/28/721243928.db2.gz QLKVBXBPFYFKBA-LADGPHEKSA-N 1 0 498.587 4.414 20 5 JIBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5cc4COc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164764966 721244400 /nfs/dbraw/zinc/24/44/00/721244400.db2.gz QLKVBXBPFYFKBA-VWNXMTODSA-N 1 0 498.587 4.414 20 5 JIBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)C3)O2)CC1 ZINC001164883876 721414300 /nfs/dbraw/zinc/41/43/00/721414300.db2.gz CEJHXDNHUPKADI-LVXARBLLSA-N 1 0 466.029 4.202 20 5 JIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164796675 721504414 /nfs/dbraw/zinc/50/44/14/721504414.db2.gz VVOBRCAHIQYMPR-UHFFFAOYSA-N 1 0 452.946 4.467 20 5 JIBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906685 721695346 /nfs/dbraw/zinc/69/53/46/721695346.db2.gz OMUYNYZPCBELEC-OAQYLSRUSA-N 1 0 474.899 4.324 20 5 JIBDRO Cc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)cc1[N+](=O)[O-] ZINC001164905719 721718173 /nfs/dbraw/zinc/71/81/73/721718173.db2.gz IXKAJVJFYXDOEL-XMMPIXPASA-N 1 0 480.519 4.493 20 5 JIBDRO 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 721805823 /nfs/dbraw/zinc/80/58/23/721805823.db2.gz AGRNZNOMZUXDRM-HYVNUMGLSA-N 1 0 451.905 4.320 20 5 JIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001165021341 721839526 /nfs/dbraw/zinc/83/95/26/721839526.db2.gz LSVIYODLJVWEOV-UHFFFAOYSA-N 1 0 455.342 4.415 20 5 JIBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164931129 721890539 /nfs/dbraw/zinc/89/05/39/721890539.db2.gz CZPBWKRGYPODHI-WOJBJXKFSA-N 1 0 465.932 4.070 20 5 JIBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545956 1069321317 /nfs/dbraw/zinc/32/13/17/1069321317.db2.gz SLZQOEJJQCAIKN-QGZVFWFLSA-N 1 0 451.445 4.130 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)CC[C@H]1C ZINC001315720345 1065014707 /nfs/dbraw/zinc/01/47/07/1065014707.db2.gz VLHCSHFKHYLDAM-HYBUGGRVSA-N 1 0 484.645 4.473 20 5 JIBDRO COCC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001315992883 1065568135 /nfs/dbraw/zinc/56/81/35/1065568135.db2.gz JPWMHPSJZHNYRM-XXBNENTESA-N 1 0 470.618 4.227 20 5 JIBDRO CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)C[C@@H]2CC=CCC2)CC[NH+](C)CC1 ZINC001316401529 1066179590 /nfs/dbraw/zinc/17/95/90/1066179590.db2.gz BXZXZOOYKLAFQO-LJQANCHMSA-N 1 0 470.643 4.473 20 5 JIBDRO CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001316432212 1066272805 /nfs/dbraw/zinc/27/28/05/1066272805.db2.gz FQVKLUUNPGMUMX-LJQANCHMSA-N 1 0 476.672 4.013 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC=C(C(F)(F)F)CC3)n2CCC[NH+]2CCCCC2)c1 ZINC001316581919 1066597546 /nfs/dbraw/zinc/59/75/46/1066597546.db2.gz LRVZIVBRZWWSGN-UHFFFAOYSA-N 1 0 464.492 4.428 20 5 JIBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC001349150024 1066814534 /nfs/dbraw/zinc/81/45/34/1066814534.db2.gz BDRMEKQALUZZRM-XNTDXEJSSA-N 1 0 459.502 4.418 20 5 JIBDRO CC1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC001354728129 1067064568 /nfs/dbraw/zinc/06/45/68/1067064568.db2.gz MPABAMLMNSKIKW-NFBKMPQASA-N 1 0 450.583 4.472 20 5 JIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001351780731 1067204070 /nfs/dbraw/zinc/20/40/70/1067204070.db2.gz NCWFJMPQWXYMMR-UHFFFAOYSA-N 1 0 450.358 4.467 20 5 JIBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001351781721 1067204889 /nfs/dbraw/zinc/20/48/89/1067204889.db2.gz SAHRAKORWXIJKF-UHFFFAOYSA-N 1 0 450.358 4.467 20 5 JIBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC001357203519 1067817986 /nfs/dbraw/zinc/81/79/86/1067817986.db2.gz MCPQDDHZSBTSEW-JOCHJYFZSA-N 1 0 450.564 4.374 20 5 JIBDRO C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357781208 1067898978 /nfs/dbraw/zinc/89/89/78/1067898978.db2.gz PCERHLDCNLPWFS-NZQKXSOJSA-N 1 0 450.583 4.472 20 5 JIBDRO Cc1ccccc1-c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001492564622 1068068068 /nfs/dbraw/zinc/06/80/68/1068068068.db2.gz NKWYGFCBJKVUQQ-OAQYLSRUSA-N 1 0 480.617 4.176 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)c2ccccc21 ZINC001164682084 719666177 /nfs/dbraw/zinc/66/61/77/719666177.db2.gz PAGHUJDDDOTNMR-HXUWFJFHSA-N 1 0 487.604 4.236 20 5 JIBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cnc1Cl ZINC001164696056 719886918 /nfs/dbraw/zinc/88/69/18/719886918.db2.gz VQWYZXQAUAIGIO-UHFFFAOYSA-N 1 0 458.918 4.121 20 5 JIBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001164825462 720321228 /nfs/dbraw/zinc/32/12/28/720321228.db2.gz FFYLEFCFXXBDPL-NHCUHLMSSA-N 1 0 464.013 4.348 20 5 JIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838793 720607314 /nfs/dbraw/zinc/60/73/14/720607314.db2.gz LXIMHLVULUHAEX-PLMTUMEDSA-N 1 0 454.962 4.371 20 5 JIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164837584 720643582 /nfs/dbraw/zinc/64/35/82/720643582.db2.gz DEPPAIDOAHXBQA-HBFSDRIKSA-N 1 0 454.962 4.371 20 5 JIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751638 720880787 /nfs/dbraw/zinc/88/07/87/720880787.db2.gz LNQLUALNQQRVJV-JPYJTQIMSA-N 1 0 492.407 4.447 20 5 JIBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755151 720906096 /nfs/dbraw/zinc/90/60/96/720906096.db2.gz ZDEYYEWOBLUHEY-HOFKKMOUSA-N 1 0 473.577 4.293 20 5 JIBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Oc5ccnc(Cl)c5)c(F)cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772295 721133744 /nfs/dbraw/zinc/13/37/44/721133744.db2.gz VJLIEMALTRGTMH-IAGOWNOFSA-N 1 0 486.935 4.266 20 5 JIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]12 ZINC001164808848 721579885 /nfs/dbraw/zinc/57/98/85/721579885.db2.gz QWBRQUIRAJPLRH-KJXAQDMKSA-N 1 0 453.930 4.060 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164939556 721931158 /nfs/dbraw/zinc/93/11/58/721931158.db2.gz MKGLXENVJQZGLI-UHFFFAOYSA-N 1 0 485.894 4.237 20 5 JIBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc21 ZINC001164964540 722057166 /nfs/dbraw/zinc/05/71/66/722057166.db2.gz VKIGHCHXWYPSLM-UHFFFAOYSA-N 1 0 467.957 4.310 20 5 JIBDRO CSC1(Cn2c(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)nnc2C(C)(C)C)CC[NH+](C)CC1 ZINC001316411605 1066200811 /nfs/dbraw/zinc/20/08/11/1066200811.db2.gz QEMWZCWLIFVIHI-UHFFFAOYSA-N 1 0 472.659 4.480 20 5 JIBDRO CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316432222 1066273725 /nfs/dbraw/zinc/27/37/25/1066273725.db2.gz FSHWODHADLBTDO-HXUWFJFHSA-N 1 0 458.632 4.307 20 5 JIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001348430678 1066744084 /nfs/dbraw/zinc/74/40/84/1066744084.db2.gz PZVOMOVQDCPGDD-UHFFFAOYSA-N 1 0 453.930 4.378 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1(C)C ZINC001300793554 1067365467 /nfs/dbraw/zinc/36/54/67/1067365467.db2.gz GHMZLJPQVJJIQC-DENIHFKCSA-N 1 0 470.618 4.083 20 5 JIBDRO C[C@H](NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001357781213 1067898820 /nfs/dbraw/zinc/89/88/20/1067898820.db2.gz PCERHLDCNLPWFS-REWPJTCUSA-N 1 0 450.583 4.472 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)c2ccccc21 ZINC001164680083 719676782 /nfs/dbraw/zinc/67/67/82/719676782.db2.gz BQJNBQQHQJBNAI-NRFANRHFSA-N 1 0 487.604 4.236 20 5 JIBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001164825463 720321039 /nfs/dbraw/zinc/32/10/39/720321039.db2.gz FFYLEFCFXXBDPL-RTWAWAEBSA-N 1 0 464.013 4.348 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164841848 720676613 /nfs/dbraw/zinc/67/66/13/720676613.db2.gz JLNGDDCUIOMMPQ-SFHVURJKSA-N 1 0 467.957 4.451 20 5 JIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754036 720897864 /nfs/dbraw/zinc/89/78/64/720897864.db2.gz IJWJYWVMGDZKLX-YIXXDRMTSA-N 1 0 473.577 4.293 20 5 JIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164795006 721500912 /nfs/dbraw/zinc/50/09/12/721500912.db2.gz AAIKTFVKGCDSGK-UHFFFAOYSA-N 1 0 470.883 4.333 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]21 ZINC001165026761 721831836 /nfs/dbraw/zinc/83/18/36/721831836.db2.gz QAZJXTUKNIKIAS-RYGJVYDSSA-N 1 0 452.946 4.323 20 5 JIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165030891 721844690 /nfs/dbraw/zinc/84/46/90/721844690.db2.gz LQGCRKXEUHEJNG-UHFFFAOYSA-N 1 0 481.528 4.309 20 5 JIBDRO 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 1064999738 /nfs/dbraw/zinc/99/97/38/1064999738.db2.gz BZVOLMLCZOQQET-OOICKAIWSA-N 1 0 484.645 4.473 20 5 JIBDRO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC([NH+](CC)CC)CC2)c([N+](=O)[O-])c1 ZINC001317902762 1066772376 /nfs/dbraw/zinc/77/23/76/1066772376.db2.gz KLQXVDJXYTXKTB-UHFFFAOYSA-N 1 0 460.600 4.121 20 5 JIBDRO COC1CCC(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001300712983 1067087779 /nfs/dbraw/zinc/08/77/79/1067087779.db2.gz CXXZEILBFMPMJO-UHFFFAOYSA-N 1 0 470.618 4.369 20 5 JIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001352615146 1067581683 /nfs/dbraw/zinc/58/16/83/1067581683.db2.gz AEEYSQYRPDIYTG-UHFFFAOYSA-N 1 0 455.317 4.364 20 5 JIBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849555037 1069199749 /nfs/dbraw/zinc/19/97/49/1069199749.db2.gz UVYRNLUJHVIYAX-JWQCQUIFSA-N 1 0 461.566 4.376 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)c2ccccc21 ZINC001164686851 719667214 /nfs/dbraw/zinc/66/72/14/719667214.db2.gz XWTPIKZWGVLXIL-HXUWFJFHSA-N 1 0 487.604 4.236 20 5 JIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164707349 719910179 /nfs/dbraw/zinc/91/01/79/719910179.db2.gz QDFSRAZMBNWAKG-UHFFFAOYSA-N 1 0 459.959 4.124 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164711107 720106222 /nfs/dbraw/zinc/10/62/22/720106222.db2.gz OJDJVAVTBNZELE-KRWDZBQOSA-N 1 0 481.931 4.091 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164712176 720147336 /nfs/dbraw/zinc/14/73/36/720147336.db2.gz KRORFLHEFZXQOI-DEOSSOPVSA-N 1 0 488.592 4.263 20 5 JIBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ccc4ccc(Cl)nc4c3n1)CCC2 ZINC001164814764 720225955 /nfs/dbraw/zinc/22/59/55/720225955.db2.gz YVRIHWWGZZRRCU-UHFFFAOYSA-N 1 0 462.985 4.244 20 5 JIBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840931 720665465 /nfs/dbraw/zinc/66/54/65/720665465.db2.gz NYVPJAVRKMYUMX-INIZCTEOSA-N 1 0 463.991 4.020 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164841624 720713264 /nfs/dbraw/zinc/71/32/64/720713264.db2.gz VDRXJJCXDGLOQE-HNNXBMFYSA-N 1 0 485.894 4.317 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164837090 720719221 /nfs/dbraw/zinc/71/92/21/720719221.db2.gz DGQIILQIAQEKAK-NRFANRHFSA-N 1 0 459.550 4.312 20 5 JIBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164755153 720905205 /nfs/dbraw/zinc/90/52/05/720905205.db2.gz ZDEYYEWOBLUHEY-WNCULLNHSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1Cl ZINC001164907496 721694107 /nfs/dbraw/zinc/69/41/07/721694107.db2.gz UQTDJBZXZBUMHO-SFHVURJKSA-N 1 0 473.858 4.321 20 5 JIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164908373 721696320 /nfs/dbraw/zinc/69/63/20/721696320.db2.gz YOMUIVHCSGLXLY-SFHVURJKSA-N 1 0 473.858 4.321 20 5 JIBDRO Cc1ccc(-c2nc3sccc3c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)cc1[N+](=O)[O-] ZINC001165009263 721745389 /nfs/dbraw/zinc/74/53/89/721745389.db2.gz ANTLUDYGBDKKPU-UHFFFAOYSA-N 1 0 494.621 4.098 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001165021378 721807774 /nfs/dbraw/zinc/80/77/74/721807774.db2.gz GOKJESWPESJIQZ-UCLAIMLFSA-N 1 0 451.905 4.320 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001165021376 721807839 /nfs/dbraw/zinc/80/78/39/721807839.db2.gz GOKJESWPESJIQZ-POZUXBRTSA-N 1 0 451.905 4.320 20 5 JIBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545479 1069320618 /nfs/dbraw/zinc/32/06/18/1069320618.db2.gz MQXKADVEDPJMDI-QGZVFWFLSA-N 1 0 453.436 4.189 20 5 JIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CN(Cc4ccccc4)CCO3)o2)c([N+](=O)[O-])c1 ZINC001200702719 1069327603 /nfs/dbraw/zinc/32/76/03/1069327603.db2.gz FQFSDUMPJSPHSX-BVZFJXPGSA-N 1 0 451.523 4.243 20 5 JIBDRO CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(F)F)C1)C[NH+]1CCCC1 ZINC001359597945 1070053619 /nfs/dbraw/zinc/05/36/19/1070053619.db2.gz JELNUKGIWHCRHY-GOSISDBHSA-N 1 0 462.545 4.457 20 5 JIBDRO COCCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001315957597 1065506408 /nfs/dbraw/zinc/50/64/08/1065506408.db2.gz SEUFVEHFFAZSEP-UHFFFAOYSA-N 1 0 470.618 4.371 20 5 JIBDRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001317803852 1066698586 /nfs/dbraw/zinc/69/85/86/1066698586.db2.gz PJVBOOYIJWGJMG-UHFFFAOYSA-N 1 0 481.530 4.211 20 5 JIBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCOC)c(C)c2)CC1 ZINC001347796200 1066700994 /nfs/dbraw/zinc/70/09/94/1066700994.db2.gz DMHBTLUFSGLFDX-UHFFFAOYSA-N 1 0 458.584 4.036 20 5 JIBDRO C[C@@]1(c2cccc(C[NH2+]Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)c2)NC(=O)NC1=O ZINC001318346700 1067027130 /nfs/dbraw/zinc/02/71/30/1067027130.db2.gz NCTNOJIPBNOGCN-DEOSSOPVSA-N 1 0 480.908 4.385 20 5 JIBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 ZINC001354825586 1067146818 /nfs/dbraw/zinc/14/68/18/1067146818.db2.gz KENXHGKLJINUOW-XFXZXTDPSA-N 1 0 451.445 4.140 20 5 JIBDRO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1(C)C ZINC001300793566 1067365490 /nfs/dbraw/zinc/36/54/90/1067365490.db2.gz GHMZLJPQVJJIQC-UGKGYDQZSA-N 1 0 470.618 4.083 20 5 JIBDRO CC[NH+](CC)CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001355860709 1067593597 /nfs/dbraw/zinc/59/35/97/1067593597.db2.gz GFFWLJBEVZANFE-UHFFFAOYSA-N 1 0 452.324 4.414 20 5 JIBDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)C[C@H]1C ZINC001357907536 1067938586 /nfs/dbraw/zinc/93/85/86/1067938586.db2.gz WLSASQHSNVOXTR-BGYRXZFFSA-N 1 0 453.583 4.198 20 5 JIBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(CCc3ccccc3)CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC001354030278 1068845898 /nfs/dbraw/zinc/84/58/98/1068845898.db2.gz XJAOITCLSIQLSW-OYRHEFFESA-N 1 0 452.599 4.324 20 5 JIBDRO CC(C)CCSc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC001300568074 1069065033 /nfs/dbraw/zinc/06/50/33/1069065033.db2.gz WVBUANMUACIMNG-OAQYLSRUSA-N 1 0 457.596 4.230 20 5 JIBDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000849565846 1069216234 /nfs/dbraw/zinc/21/62/34/1069216234.db2.gz WSUDJMBTGYMQJT-DLBZAZTESA-N 1 0 457.581 4.215 20 5 JIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)ccc1F ZINC001164707318 719905158 /nfs/dbraw/zinc/90/51/58/719905158.db2.gz PGAIPKJFTSCQNF-UHFFFAOYSA-N 1 0 469.542 4.124 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164711505 720106274 /nfs/dbraw/zinc/10/62/74/720106274.db2.gz QBEBKJSTLGKAIM-QFIPXVFZSA-N 1 0 461.566 4.354 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164714908 720108101 /nfs/dbraw/zinc/10/81/01/720108101.db2.gz FBYHNSRYCYRBCV-MRXNPFEDSA-N 1 0 466.369 4.199 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164842769 720674468 /nfs/dbraw/zinc/67/44/68/720674468.db2.gz UDMZZRBIYYKVBX-QGZVFWFLSA-N 1 0 466.916 4.448 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164836137 720730127 /nfs/dbraw/zinc/73/01/27/720730127.db2.gz BDFUKUJCFGFELK-IBGZPJMESA-N 1 0 467.957 4.451 20 5 JIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751610 720880726 /nfs/dbraw/zinc/88/07/26/720880726.db2.gz LNQLUALNQQRVJV-FDDCHVKYSA-N 1 0 492.407 4.447 20 5 JIBDRO O=[N+]([O-])c1cccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164758762 720886973 /nfs/dbraw/zinc/88/69/73/720886973.db2.gz ZCZPKBMGNQWUNU-HOFKKMOUSA-N 1 0 473.577 4.293 20 5 JIBDRO COC(=O)c1nc(Cl)nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1[N+](=O)[O-] ZINC001164760504 721042505 /nfs/dbraw/zinc/04/25/05/721042505.db2.gz VHMAOUPWRDXMFH-UHFFFAOYSA-N 1 0 473.961 4.016 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164786287 721471494 /nfs/dbraw/zinc/47/14/94/721471494.db2.gz AOLMQFPHACVSRR-QHCPKHFHSA-N 1 0 480.609 4.391 20 5 JIBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])CC1 ZINC001165011167 721737868 /nfs/dbraw/zinc/73/78/68/721737868.db2.gz OJNDPRIUKJULMG-UHFFFAOYSA-N 1 0 491.951 4.098 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001165024508 721806895 /nfs/dbraw/zinc/80/68/95/721806895.db2.gz LKJNWEVUUXZWFZ-PAXLWEDBSA-N 1 0 452.946 4.323 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001165024511 721806919 /nfs/dbraw/zinc/80/69/19/721806919.db2.gz LKJNWEVUUXZWFZ-QFIXIFRTSA-N 1 0 452.946 4.323 20 5 JIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001165029770 721845014 /nfs/dbraw/zinc/84/50/14/721845014.db2.gz BXVAIETUVGZXLJ-UHFFFAOYSA-N 1 0 471.945 4.309 20 5 JIBDRO COCCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001315957797 1065506869 /nfs/dbraw/zinc/50/68/69/1065506869.db2.gz VTILPOCITXLGPH-IBGZPJMESA-N 1 0 470.618 4.227 20 5 JIBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001317989089 1066835215 /nfs/dbraw/zinc/83/52/15/1066835215.db2.gz CMODJKDSSACNEL-UHFFFAOYSA-N 1 0 450.461 4.392 20 5 JIBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC001200854726 1067362474 /nfs/dbraw/zinc/36/24/74/1067362474.db2.gz SFXJMEQERICALG-UHFFFAOYSA-N 1 0 455.252 4.220 20 5 JIBDRO C[NH+]1CCN(c2ccc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)c(C(F)(F)F)c2)CC1 ZINC001355593404 1067520127 /nfs/dbraw/zinc/52/01/27/1067520127.db2.gz LBVLXIQLVJJWRQ-UHFFFAOYSA-N 1 0 458.387 4.096 20 5 JIBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001352861408 1067771888 /nfs/dbraw/zinc/77/18/88/1067771888.db2.gz HXVNSGNZKBUOQO-UHFFFAOYSA-N 1 0 456.287 4.040 20 5 JIBDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001200472678 1068682000 /nfs/dbraw/zinc/68/20/00/1068682000.db2.gz VXMDECOKGIFRMU-XMMPIXPASA-N 1 0 458.461 4.458 20 5 JIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)cc1 ZINC001354529237 1069303564 /nfs/dbraw/zinc/30/35/64/1069303564.db2.gz JLQPVZQLTXFQGZ-HNNXBMFYSA-N 1 0 458.465 4.046 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)c2ccccc21 ZINC001164681447 719665124 /nfs/dbraw/zinc/66/51/24/719665124.db2.gz PEOJUEWZSWOXDG-NRFANRHFSA-N 1 0 487.604 4.236 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)c2ccccc21 ZINC001164681956 719667045 /nfs/dbraw/zinc/66/70/45/719667045.db2.gz OOSBUVFMNZXTCU-OAQYLSRUSA-N 1 0 487.604 4.236 20 5 JIBDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)CC2 ZINC001164693165 719758831 /nfs/dbraw/zinc/75/88/31/719758831.db2.gz XUGWRMISJNPDPJ-UHFFFAOYSA-N 1 0 493.942 4.036 20 5 JIBDRO Cc1ccc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)cc1[N+](=O)[O-] ZINC001164698177 719895960 /nfs/dbraw/zinc/89/59/60/719895960.db2.gz PIAHPETUZOZEMH-UHFFFAOYSA-N 1 0 465.579 4.293 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164711498 720106507 /nfs/dbraw/zinc/10/65/07/720106507.db2.gz QBEBKJSTLGKAIM-JOCHJYFZSA-N 1 0 461.566 4.354 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164712180 720146602 /nfs/dbraw/zinc/14/66/02/720146602.db2.gz KRORFLHEFZXQOI-XMMPIXPASA-N 1 0 488.592 4.263 20 5 JIBDRO Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)nc3c2n1 ZINC001164741883 720830555 /nfs/dbraw/zinc/83/05/55/720830555.db2.gz OYQVZQSEFLMIQY-BHIFYINESA-N 1 0 474.012 4.407 20 5 JIBDRO Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@@H](C[C@@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)nc3c2n1 ZINC001164741886 720830926 /nfs/dbraw/zinc/83/09/26/720830926.db2.gz OYQVZQSEFLMIQY-FDFHNCONSA-N 1 0 474.012 4.407 20 5 JIBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2c1 ZINC001164755925 720883574 /nfs/dbraw/zinc/88/35/74/720883574.db2.gz NIHRORYGHGXVAB-WNCULLNHSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2ccccc21 ZINC001164758101 720886356 /nfs/dbraw/zinc/88/63/56/720886356.db2.gz WUTMLBFMNSHOSA-AMGIVPHBSA-N 1 0 473.577 4.293 20 5 JIBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@H]2C1 ZINC001164855995 720892652 /nfs/dbraw/zinc/89/26/52/720892652.db2.gz FDNUPKGYYBZZFL-UWJYYQICSA-N 1 0 496.942 4.029 20 5 JIBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC001164780686 721368226 /nfs/dbraw/zinc/36/82/26/721368226.db2.gz GMTCKANXDJBXES-SANMLTNESA-N 1 0 492.580 4.084 20 5 JIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164808852 721579703 /nfs/dbraw/zinc/57/97/03/721579703.db2.gz QWBRQUIRAJPLRH-WPYKKVEZSA-N 1 0 453.930 4.060 20 5 JIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)ccc1F ZINC001164913827 721732475 /nfs/dbraw/zinc/73/24/75/721732475.db2.gz YNZLKWXIHFYDFM-QHCPKHFHSA-N 1 0 484.482 4.324 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001165024503 721807061 /nfs/dbraw/zinc/80/70/61/721807061.db2.gz LKJNWEVUUXZWFZ-MFMILTCTSA-N 1 0 452.946 4.323 20 5 JIBDRO Cc1ccc(-c2nc3sccc3c(N3CC[NH+](CCc4ccccn4)CC3)n2)cc1[N+](=O)[O-] ZINC001165055599 722017446 /nfs/dbraw/zinc/01/74/46/722017446.db2.gz QYHVNOUOGDCGHP-UHFFFAOYSA-N 1 0 460.563 4.335 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC[C@@H]1C ZINC001300794276 1069844936 /nfs/dbraw/zinc/84/49/36/1069844936.db2.gz JIKKEMRQTGZCMX-CDNPAEQRSA-N 1 0 470.618 4.225 20 5 JIBDRO COCCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC([NH2+]C(C)C)CC2)CCCC1 ZINC001315980498 1065542792 /nfs/dbraw/zinc/54/27/92/1065542792.db2.gz DKWMZTHWUPQSBO-UHFFFAOYSA-N 1 0 470.618 4.417 20 5 JIBDRO CS[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001316424022 1066238333 /nfs/dbraw/zinc/23/83/33/1066238333.db2.gz RETDYOJDXZGDBC-DENIHFKCSA-N 1 0 476.672 4.013 20 5 JIBDRO Cc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC001355006098 1067333281 /nfs/dbraw/zinc/33/32/81/1067333281.db2.gz PYTKPPIOSBDCRD-UHFFFAOYSA-N 1 0 457.478 4.116 20 5 JIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001355894101 1067600019 /nfs/dbraw/zinc/60/00/19/1067600019.db2.gz CSSTYFVFXVNZQC-LPHOPBHVSA-N 1 0 456.568 4.274 20 5 JIBDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)[C@@H](c2cnn(C)c2)C1 ZINC000849555038 1069199534 /nfs/dbraw/zinc/19/95/34/1069199534.db2.gz UVYRNLUJHVIYAX-LOSJGSFVSA-N 1 0 461.566 4.376 20 5 JIBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164429985 718947300 /nfs/dbraw/zinc/94/73/00/718947300.db2.gz RJCWRTOOQXVTOF-PXNSSMCTSA-N 1 0 457.868 4.326 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164680687 719673443 /nfs/dbraw/zinc/67/34/43/719673443.db2.gz GYQJVYBLEDCMLR-NRFANRHFSA-N 1 0 487.604 4.236 20 5 JIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164694751 719889637 /nfs/dbraw/zinc/88/96/37/719889637.db2.gz FCFKXXITNOERAT-UHFFFAOYSA-N 1 0 459.959 4.124 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164718029 720114831 /nfs/dbraw/zinc/11/48/31/720114831.db2.gz QNEFZJFPLFGQOJ-MRXNPFEDSA-N 1 0 466.369 4.199 20 5 JIBDRO Cc1ccc(-c2nc3sccc3c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)cc1[N+](=O)[O-] ZINC001164736652 720582715 /nfs/dbraw/zinc/58/27/15/720582715.db2.gz QFTULERNMJFTFO-UHFFFAOYSA-N 1 0 489.605 4.430 20 5 JIBDRO 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 720620489 /nfs/dbraw/zinc/62/04/89/720620489.db2.gz UIMQCQFXKJCYCO-NKKJXINNSA-N 1 0 475.597 4.189 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164840443 720662438 /nfs/dbraw/zinc/66/24/38/720662438.db2.gz MNHDHCAESRJSEA-GOSISDBHSA-N 1 0 466.916 4.448 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164837092 720718115 /nfs/dbraw/zinc/71/81/15/720718115.db2.gz DGQIILQIAQEKAK-OAQYLSRUSA-N 1 0 459.550 4.312 20 5 JIBDRO O=[N+]([O-])c1ccc2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2c1 ZINC001164755924 720883370 /nfs/dbraw/zinc/88/33/70/720883370.db2.gz NIHRORYGHGXVAB-KCWPFWIISA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc21 ZINC001164758103 720886107 /nfs/dbraw/zinc/88/61/07/720886107.db2.gz WUTMLBFMNSHOSA-CUNXSJBXSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754028 720897999 /nfs/dbraw/zinc/89/79/99/720897999.db2.gz IJWJYWVMGDZKLX-HOFKKMOUSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164754030 720898175 /nfs/dbraw/zinc/89/81/75/720898175.db2.gz IJWJYWVMGDZKLX-KCWPFWIISA-N 1 0 473.577 4.293 20 5 JIBDRO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164769367 721201455 /nfs/dbraw/zinc/20/14/55/721201455.db2.gz MDVSKMCNTAEIRC-VQTJNVASSA-N 1 0 489.605 4.267 20 5 JIBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5cc4COc4ccccc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164764937 721244240 /nfs/dbraw/zinc/24/42/40/721244240.db2.gz QLKVBXBPFYFKBA-ISKFKSNPSA-N 1 0 498.587 4.414 20 5 JIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001165023123 721844247 /nfs/dbraw/zinc/84/42/47/721844247.db2.gz XPFYLJFVHZIPQP-UHFFFAOYSA-N 1 0 477.565 4.478 20 5 JIBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc3ccc4ccc(Cl)nc4c3n1)CCC2 ZINC001165001619 722253596 /nfs/dbraw/zinc/25/35/96/722253596.db2.gz DADFBIFSIHKQAA-UHFFFAOYSA-N 1 0 450.974 4.121 20 5 JIBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)c2cccs2)C[C@@H]1C ZINC001316123249 1065790117 /nfs/dbraw/zinc/79/01/17/1065790117.db2.gz UFFHOFVERQEKGZ-SFHVURJKSA-N 1 0 484.626 4.050 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2CC[NH+]2CCCCC2)c1 ZINC001316583033 1066600323 /nfs/dbraw/zinc/60/03/23/1066600323.db2.gz WUSPURMZZWYRJI-QGZVFWFLSA-N 1 0 452.481 4.118 20 5 JIBDRO C[C@]1(c2cccc(C[NH2+]Cc3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)c2)NC(=O)NC1=O ZINC001318346707 1067026997 /nfs/dbraw/zinc/02/69/97/1067026997.db2.gz NCTNOJIPBNOGCN-XMMPIXPASA-N 1 0 480.908 4.385 20 5 JIBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1SC ZINC001354902497 1067268907 /nfs/dbraw/zinc/26/89/07/1067268907.db2.gz ZYOQPBPNBJRXEZ-XMMPIXPASA-N 1 0 455.580 4.454 20 5 JIBDRO COc1ccc(-c2ccc(C[NH2+]CCNC(=O)c3ccccc3C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC001322612067 1067306277 /nfs/dbraw/zinc/30/62/77/1067306277.db2.gz YEZKSDSWORAYCM-UHFFFAOYSA-N 1 0 463.412 4.402 20 5 JIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001355894095 1067599962 /nfs/dbraw/zinc/59/99/62/1067599962.db2.gz CSSTYFVFXVNZQC-APWZRJJASA-N 1 0 456.568 4.274 20 5 JIBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC001357203520 1067818062 /nfs/dbraw/zinc/81/80/62/1067818062.db2.gz MCPQDDHZSBTSEW-QFIPXVFZSA-N 1 0 450.564 4.374 20 5 JIBDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001200193936 1067826996 /nfs/dbraw/zinc/82/69/96/1067826996.db2.gz UPVWCUKTSSNSTF-UHFFFAOYSA-N 1 0 451.527 4.452 20 5 JIBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001164825464 720320945 /nfs/dbraw/zinc/32/09/45/720320945.db2.gz FFYLEFCFXXBDPL-SFTDATJTSA-N 1 0 464.013 4.348 20 5 JIBDRO Cc1cc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164756539 720882229 /nfs/dbraw/zinc/88/22/29/720882229.db2.gz QDXPFMCRLHXGGU-GBXCKJPGSA-N 1 0 471.989 4.102 20 5 JIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164752627 720883801 /nfs/dbraw/zinc/88/38/01/720883801.db2.gz FLUVYGNBMXMQPG-YKSBVNFPSA-N 1 0 471.989 4.102 20 5 JIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753231 720886922 /nfs/dbraw/zinc/88/69/22/720886922.db2.gz GGHYQSHVFRPWBB-FDDCHVKYSA-N 1 0 492.407 4.447 20 5 JIBDRO Cc1ccc(-c2nc3sccc3c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164769361 721202315 /nfs/dbraw/zinc/20/23/15/721202315.db2.gz MDVSKMCNTAEIRC-UXHICEINSA-N 1 0 489.605 4.267 20 5 JIBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC001164780680 721368782 /nfs/dbraw/zinc/36/87/82/721368782.db2.gz GMTCKANXDJBXES-AREMUKBSSA-N 1 0 492.580 4.084 20 5 JIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164795851 721502630 /nfs/dbraw/zinc/50/26/30/721502630.db2.gz MAIKSTJNASFECX-UHFFFAOYSA-N 1 0 462.529 4.467 20 5 JIBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165022375 721839974 /nfs/dbraw/zinc/83/99/74/721839974.db2.gz RRPREESRGKHMCH-UHFFFAOYSA-N 1 0 471.945 4.309 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938941 721923904 /nfs/dbraw/zinc/92/39/04/721923904.db2.gz CLXVQDWNEZDWDJ-UHFFFAOYSA-N 1 0 467.957 4.371 20 5 JIBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1C ZINC001165047213 721977341 /nfs/dbraw/zinc/97/73/41/721977341.db2.gz FARNALRKBDMNGY-SFHVURJKSA-N 1 0 469.615 4.306 20 5 JIBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H]3CN(Cc4ccccc4)CCO3)o2)c([N+](=O)[O-])c1 ZINC001200702718 1069327342 /nfs/dbraw/zinc/32/73/42/1069327342.db2.gz FQFSDUMPJSPHSX-AVRWGWEMSA-N 1 0 451.523 4.243 20 5 JIBDRO COc1ccccc1-c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001315601422 1064710657 /nfs/dbraw/zinc/71/06/57/1064710657.db2.gz XTQJCWIKTMVVNR-UHFFFAOYSA-N 1 0 496.616 4.019 20 5 JIBDRO 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 1065001300 /nfs/dbraw/zinc/00/13/00/1065001300.db2.gz CWOUQLFDXJFQNR-TXTKFYIRSA-N 1 0 470.618 4.083 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)CC[C@@H]1C ZINC001315720342 1065014756 /nfs/dbraw/zinc/01/47/56/1065014756.db2.gz VLHCSHFKHYLDAM-GBXCKJPGSA-N 1 0 484.645 4.473 20 5 JIBDRO COCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001315844027 1065230443 /nfs/dbraw/zinc/23/04/43/1065230443.db2.gz HHQCCMNFNHMTGT-UHFFFAOYSA-N 1 0 470.618 4.228 20 5 JIBDRO CCc1cccc[n+]1C(C(=O)c1ccc([N+](=O)[O-])cc1)C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC001338308978 1066544562 /nfs/dbraw/zinc/54/45/62/1066544562.db2.gz HCUPPYZTANVNSI-UHFFFAOYSA-O 1 0 499.594 4.324 20 5 JIBDRO CCc1cccc[n+]1C(C(=O)c1cccc([N+](=O)[O-])c1)C(=S)NCc1ccc(S(N)(=O)=O)cc1 ZINC001318164951 1066933063 /nfs/dbraw/zinc/93/30/63/1066933063.db2.gz DAOBFYKSQPCCNZ-UHFFFAOYSA-O 1 0 499.594 4.324 20 5 JIBDRO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 ZINC001318348435 1067027909 /nfs/dbraw/zinc/02/79/09/1067027909.db2.gz LBENPYFPXBRRHK-UHFFFAOYSA-N 1 0 456.930 4.089 20 5 JIBDRO Cc1ccc(Sc2ccc(C[NH2+]Cc3cccc([C@]4(C)NC(=O)NC4=O)c3)cc2[N+](=O)[O-])cc1 ZINC001321653399 1067190854 /nfs/dbraw/zinc/19/08/54/1067190854.db2.gz JCFYALXYJJPZFE-VWLOTQADSA-N 1 0 476.558 4.399 20 5 JIBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001352381192 1067365588 /nfs/dbraw/zinc/36/55/88/1067365588.db2.gz KFWWMHLVYBIHLZ-UHFFFAOYSA-N 1 0 450.333 4.259 20 5 JIBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001357493614 1067858735 /nfs/dbraw/zinc/85/87/35/1067858735.db2.gz XGYFZUCACLNHTB-LOSJGSFVSA-N 1 0 459.546 4.444 20 5 JIBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)CC1 ZINC001164618125 719035143 /nfs/dbraw/zinc/03/51/43/719035143.db2.gz SPDRBAXAEOLUGL-UHFFFAOYSA-N 1 0 456.518 4.040 20 5 JIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842163 720533984 /nfs/dbraw/zinc/53/39/84/720533984.db2.gz XAYFLIFXCZDOLO-FUHIMQAGSA-N 1 0 454.962 4.371 20 5 JIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838787 720607192 /nfs/dbraw/zinc/60/71/92/720607192.db2.gz LXIMHLVULUHAEX-DJPFJPOOSA-N 1 0 454.962 4.371 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164837654 720710279 /nfs/dbraw/zinc/71/02/79/720710279.db2.gz FUCDYXRBIXZXRD-QHCPKHFHSA-N 1 0 459.550 4.312 20 5 JIBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867474 721089119 /nfs/dbraw/zinc/08/91/19/721089119.db2.gz YMDILMFIQPGIHL-MJGOQNOKSA-N 1 0 499.930 4.449 20 5 JIBDRO Cc1ccc(-c2nc3sccc3c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1[N+](=O)[O-] ZINC001164769375 721202492 /nfs/dbraw/zinc/20/24/92/721202492.db2.gz MDVSKMCNTAEIRC-WOJBJXKFSA-N 1 0 489.605 4.267 20 5 JIBDRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164913155 721728215 /nfs/dbraw/zinc/72/82/15/721728215.db2.gz ULNHOTJHNZTQCQ-XMMPIXPASA-N 1 0 480.519 4.493 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]21 ZINC001165026760 721831697 /nfs/dbraw/zinc/83/16/97/721831697.db2.gz QAZJXTUKNIKIAS-CWFSZBLJSA-N 1 0 452.946 4.323 20 5 JIBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164931126 721890608 /nfs/dbraw/zinc/89/06/08/721890608.db2.gz CZPBWKRGYPODHI-PMACEKPBSA-N 1 0 465.932 4.070 20 5 JIBDRO COc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001354545954 1069321379 /nfs/dbraw/zinc/32/13/79/1069321379.db2.gz SLQRMVVGCLUBSH-QGZVFWFLSA-N 1 0 451.445 4.130 20 5 JIBDRO CC(C)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(F)(F)F ZINC001359594418 1070041578 /nfs/dbraw/zinc/04/15/78/1070041578.db2.gz YWSDGIJDXWMLQL-KRWDZBQOSA-N 1 0 452.481 4.116 20 5 JIBDRO CC(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359698982 1070360602 /nfs/dbraw/zinc/36/06/02/1070360602.db2.gz QPUWVWJCSWKFSM-UHFFFAOYSA-N 1 0 458.611 4.004 20 5 JIBDRO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359701501 1070367818 /nfs/dbraw/zinc/36/78/18/1070367818.db2.gz VUKSMLVTVFEEJZ-FQEVSTJZSA-N 1 0 470.618 4.478 20 5 JIBDRO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001315717034 1065008237 /nfs/dbraw/zinc/00/82/37/1065008237.db2.gz LCHMGVWEHSWPPD-XXBNENTESA-N 1 0 470.618 4.369 20 5 JIBDRO COC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001315895104 1065360663 /nfs/dbraw/zinc/36/06/63/1065360663.db2.gz OFNGVOIMWOLVDI-RTWAWAEBSA-N 1 0 470.618 4.371 20 5 JIBDRO COCCC(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001315957798 1065507059 /nfs/dbraw/zinc/50/70/59/1065507059.db2.gz VTILPOCITXLGPH-LJQANCHMSA-N 1 0 470.618 4.227 20 5 JIBDRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC001349150023 1066814575 /nfs/dbraw/zinc/81/45/75/1066814575.db2.gz BDRMEKQALUZZRM-GDNBJRDFSA-N 1 0 459.502 4.418 20 5 JIBDRO C[C@]1(c2cccc(C[NH2+]Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)c2)NC(=O)NC1=O ZINC001318366720 1067033464 /nfs/dbraw/zinc/03/34/64/1067033464.db2.gz DPRXRZNOIRJSQD-XMMPIXPASA-N 1 0 480.908 4.385 20 5 JIBDRO C[C@]1(c2ccccc2)C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001351382038 1067087105 /nfs/dbraw/zinc/08/71/05/1067087105.db2.gz YTTJZUBPMXWZDG-YIXXDRMTSA-N 1 0 458.562 4.213 20 5 JIBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c2)C1 ZINC001321653484 1067190492 /nfs/dbraw/zinc/19/04/92/1067190492.db2.gz LBRHRUAQCWLQDO-IBGZPJMESA-N 1 0 482.968 4.495 20 5 JIBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC001200831584 1067314537 /nfs/dbraw/zinc/31/45/37/1067314537.db2.gz XVPUGZFAIIEDMI-IFXJQAMLSA-N 1 0 455.902 4.058 20 5 JIBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)c1C ZINC001352780146 1067715738 /nfs/dbraw/zinc/71/57/38/1067715738.db2.gz JNIJYJGMVVXMPG-UHFFFAOYSA-N 1 0 458.584 4.074 20 5 JIBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001356445541 1067754199 /nfs/dbraw/zinc/75/41/99/1067754199.db2.gz WNJUWASJDNFUAR-VQTJNVASSA-N 1 0 468.460 4.446 20 5 JIBDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccc1Cl ZINC001356553870 1067776516 /nfs/dbraw/zinc/77/65/16/1067776516.db2.gz GWHAJMVTRCYGDR-UHFFFAOYSA-N 1 0 450.898 4.020 20 5 JIBDRO 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 1067820347 /nfs/dbraw/zinc/82/03/47/1067820347.db2.gz VENRALMWDVUTOY-KDURUIRLSA-N 1 0 455.555 4.263 20 5 JIBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)[C@H](c2cnn(C)c2)C1 ZINC000849555039 1069201009 /nfs/dbraw/zinc/20/10/09/1069201009.db2.gz UVYRNLUJHVIYAX-RPBOFIJWSA-N 1 0 461.566 4.376 20 5 JIBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691855 719804795 /nfs/dbraw/zinc/80/47/95/719804795.db2.gz KYUXODGRKKRMNH-UHFFFAOYSA-N 1 0 479.990 4.220 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164711109 720106790 /nfs/dbraw/zinc/10/67/90/720106790.db2.gz OJDJVAVTBNZELE-QGZVFWFLSA-N 1 0 481.931 4.091 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164718113 720108066 /nfs/dbraw/zinc/10/80/66/720108066.db2.gz RVQXUVOIGPEFDK-GOSISDBHSA-N 1 0 482.972 4.094 20 5 JIBDRO 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 720645479 /nfs/dbraw/zinc/64/54/79/720645479.db2.gz LKJODKVWVXYHJU-ILWGZMRPSA-N 1 0 464.545 4.370 20 5 JIBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844223 720666907 /nfs/dbraw/zinc/66/69/07/720666907.db2.gz YTQXPROYESVAGI-SFHVURJKSA-N 1 0 488.972 4.080 20 5 JIBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754033 720898073 /nfs/dbraw/zinc/89/80/73/720898073.db2.gz IJWJYWVMGDZKLX-WNCULLNHSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164755152 720905871 /nfs/dbraw/zinc/90/58/71/720905871.db2.gz ZDEYYEWOBLUHEY-KCWPFWIISA-N 1 0 473.577 4.293 20 5 JIBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Oc5ccnc(Cl)c5)c(F)cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772297 721135381 /nfs/dbraw/zinc/13/53/81/721135381.db2.gz VJLIEMALTRGTMH-SJORKVTESA-N 1 0 486.935 4.266 20 5 JIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164792484 721492852 /nfs/dbraw/zinc/49/28/52/721492852.db2.gz PJDQGOORMBUTML-UHFFFAOYSA-N 1 0 452.946 4.467 20 5 JIBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164912899 721730350 /nfs/dbraw/zinc/73/03/50/721730350.db2.gz QYGHSEGPUZMHRJ-HSZRJFAPSA-N 1 0 466.492 4.185 20 5 JIBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001354545478 1069320848 /nfs/dbraw/zinc/32/08/48/1069320848.db2.gz MQXKADVEDPJMDI-KRWDZBQOSA-N 1 0 453.436 4.189 20 5 JIBDRO CC(C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001359698787 1070359623 /nfs/dbraw/zinc/35/96/23/1070359623.db2.gz KUQZKCYAUZGDFM-LJQANCHMSA-N 1 0 458.611 4.002 20 5 JIBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001315902006 1065377898 /nfs/dbraw/zinc/37/78/98/1065377898.db2.gz IRNDKUHTAZDLBV-WOJBJXKFSA-N 1 0 484.645 4.473 20 5 JIBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001315902004 1065377941 /nfs/dbraw/zinc/37/79/41/1065377941.db2.gz IRNDKUHTAZDLBV-BGYRXZFFSA-N 1 0 484.645 4.473 20 5 JIBDRO COCCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCC(C)CC1)[C@H]1CC[C@@H](C)C1 ZINC001316078859 1065722449 /nfs/dbraw/zinc/72/24/49/1065722449.db2.gz LAWSDYVMDJVHMV-IRLDBZIGSA-N 1 0 470.618 4.227 20 5 JIBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001318280409 1067000187 /nfs/dbraw/zinc/00/01/87/1067000187.db2.gz NAHMRIQATACYAG-UHFFFAOYSA-N 1 0 476.533 4.078 20 5 JIBDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1 ZINC001351116946 1067047723 /nfs/dbraw/zinc/04/77/23/1067047723.db2.gz GDNIBNAKJNIKNZ-FQEVSTJZSA-N 1 0 463.376 4.246 20 5 JIBDRO COC1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001300720681 1067107892 /nfs/dbraw/zinc/10/78/92/1067107892.db2.gz MTNIQMANPOOLBV-UHFFFAOYSA-N 1 0 470.618 4.369 20 5 JIBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC001354984309 1067316621 /nfs/dbraw/zinc/31/66/21/1067316621.db2.gz KKJYTTKFEWETNR-UHFFFAOYSA-N 1 0 454.861 4.244 20 5 JIBDRO O=[N+]([O-])c1cc(I)cc(CNC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC001200105189 1067627952 /nfs/dbraw/zinc/62/79/52/1067627952.db2.gz AUIZYWFWYVLWJN-GOSISDBHSA-N 1 0 457.356 4.334 20 5 JIBDRO C[C@H]1C[C@H](CCNC(=O)c2sc(Br)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC001356500291 1067764672 /nfs/dbraw/zinc/76/46/72/1067764672.db2.gz AGVIIKOVLXPJKO-ZFWWWQNUSA-N 1 0 452.374 4.449 20 5 JIBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC001357755267 1067894682 /nfs/dbraw/zinc/89/46/82/1067894682.db2.gz ICOKZXOBZJXHCN-UHFFFAOYSA-N 1 0 453.724 4.015 20 5 JIBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC001354209150 1068979192 /nfs/dbraw/zinc/97/91/92/1068979192.db2.gz DJXDGUOVZWIHIR-KZULUSFZSA-N 1 0 455.483 4.079 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)c2ccccc21 ZINC001164681954 719667009 /nfs/dbraw/zinc/66/70/09/719667009.db2.gz OOSBUVFMNZXTCU-NRFANRHFSA-N 1 0 487.604 4.236 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)c2ccccc21 ZINC001164682128 719683001 /nfs/dbraw/zinc/68/30/01/719683001.db2.gz BTNHYJAMJMCZKW-NRFANRHFSA-N 1 0 487.604 4.236 20 5 JIBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164694593 719889825 /nfs/dbraw/zinc/88/98/25/719889825.db2.gz AMXAGVALRMLJNF-UHFFFAOYSA-N 1 0 458.918 4.121 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164842766 720674928 /nfs/dbraw/zinc/67/49/28/720674928.db2.gz UDMZZRBIYYKVBX-KRWDZBQOSA-N 1 0 466.916 4.448 20 5 JIBDRO CSc1nc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164840338 720694963 /nfs/dbraw/zinc/69/49/63/720694963.db2.gz CYLQVNBRAQUQBI-MRXNPFEDSA-N 1 0 463.991 4.020 20 5 JIBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164789380 721454930 /nfs/dbraw/zinc/45/49/30/721454930.db2.gz VDTJGVWJNZEHOF-QFIPXVFZSA-N 1 0 468.598 4.185 20 5 JIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]21 ZINC001164809245 721561565 /nfs/dbraw/zinc/56/15/65/721561565.db2.gz WEPYJOVFQUFQCX-VIZSFHNOSA-N 1 0 453.930 4.060 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]21 ZINC001165026759 721831845 /nfs/dbraw/zinc/83/18/45/721831845.db2.gz QAZJXTUKNIKIAS-CDHQVMDDSA-N 1 0 452.946 4.323 20 5 JIBDRO O=[N+]([O-])c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1-c1ccccc1 ZINC001164966283 722062077 /nfs/dbraw/zinc/06/20/77/722062077.db2.gz PVRJIOAIBPUVGG-UHFFFAOYSA-N 1 0 459.550 4.171 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[C@@H]1C ZINC001315713653 1064999836 /nfs/dbraw/zinc/99/98/36/1064999836.db2.gz BZVOLMLCZOQQET-IUBSTNSRSA-N 1 0 484.645 4.473 20 5 JIBDRO CO[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)CC[C@@H]1C ZINC001315720349 1065014863 /nfs/dbraw/zinc/01/48/63/1065014863.db2.gz VLHCSHFKHYLDAM-RDPSFJRHSA-N 1 0 484.645 4.473 20 5 JIBDRO COCCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001316005814 1065593267 /nfs/dbraw/zinc/59/32/67/1065593267.db2.gz OLMVOFYKHYNVIS-UHFFFAOYSA-N 1 0 456.591 4.125 20 5 JIBDRO CSCCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001316452346 1066335058 /nfs/dbraw/zinc/33/50/58/1066335058.db2.gz SPZXOKNQGWOSFC-IBGZPJMESA-N 1 0 488.658 4.076 20 5 JIBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1 ZINC001200802134 1067206989 /nfs/dbraw/zinc/20/69/89/1067206989.db2.gz FHPDTQMIRISBHB-UHFFFAOYSA-N 1 0 456.255 4.134 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001300783512 1067341255 /nfs/dbraw/zinc/34/12/55/1067341255.db2.gz YSRKDIFVGLTUFZ-UHFFFAOYSA-N 1 0 482.585 4.281 20 5 JIBDRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1Cl ZINC001356552794 1067776593 /nfs/dbraw/zinc/77/65/93/1067776593.db2.gz CREJHQALRPPQPH-UHFFFAOYSA-N 1 0 453.326 4.226 20 5 JIBDRO O=C(CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC001473433695 1068159500 /nfs/dbraw/zinc/15/95/00/1068159500.db2.gz XNKFDTXDSBFXDZ-UHFFFAOYSA-N 1 0 453.417 4.118 20 5 JIBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)c(Cl)nn2)cc1 ZINC001164429989 718947587 /nfs/dbraw/zinc/94/75/87/718947587.db2.gz RJCWRTOOQXVTOF-YLJYHZDGSA-N 1 0 457.868 4.326 20 5 JIBDRO Cc1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164680814 719663363 /nfs/dbraw/zinc/66/33/63/719663363.db2.gz JBGIQQQZJXRXFU-SFHVURJKSA-N 1 0 486.016 4.045 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)c2ccccc21 ZINC001164681448 719664519 /nfs/dbraw/zinc/66/45/19/719664519.db2.gz PEOJUEWZSWOXDG-OAQYLSRUSA-N 1 0 487.604 4.236 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)c2ccccc21 ZINC001164682075 719665706 /nfs/dbraw/zinc/66/57/06/719665706.db2.gz PAGHUJDDDOTNMR-FQEVSTJZSA-N 1 0 487.604 4.236 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164714173 720107107 /nfs/dbraw/zinc/10/71/07/720107107.db2.gz AJPIXVSGOZHFFY-IBGZPJMESA-N 1 0 482.972 4.094 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164713019 720132725 /nfs/dbraw/zinc/13/27/25/720132725.db2.gz OXAOYUHDWOJHHA-HSZRJFAPSA-N 1 0 488.592 4.263 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164841626 720713357 /nfs/dbraw/zinc/71/33/57/720713357.db2.gz VDRXJJCXDGLOQE-OAHLLOKOSA-N 1 0 485.894 4.317 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164836139 720729535 /nfs/dbraw/zinc/72/95/35/720729535.db2.gz BDFUKUJCFGFELK-LJQANCHMSA-N 1 0 467.957 4.451 20 5 JIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753237 720887071 /nfs/dbraw/zinc/88/70/71/720887071.db2.gz GGHYQSHVFRPWBB-WZONZLPQSA-N 1 0 492.407 4.447 20 5 JIBDRO CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCC[NH+](C(C)C)C(C)C)C[C@H]12 ZINC001316321023 1066076367 /nfs/dbraw/zinc/07/63/67/1066076367.db2.gz UJKBSNPVVXTKAO-AKIFATBCSA-N 1 0 470.618 4.223 20 5 JIBDRO CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCSC(C)(C)C2)CC[NH+](C)CC1 ZINC001316401444 1066179386 /nfs/dbraw/zinc/17/93/86/1066179386.db2.gz AZQLJYLDIZZMME-UHFFFAOYSA-N 1 0 476.672 4.013 20 5 JIBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC(C)(C)C ZINC001316492680 1066432547 /nfs/dbraw/zinc/43/25/47/1066432547.db2.gz RIQGZWUHKGBCPG-LJQANCHMSA-N 1 0 470.618 4.369 20 5 JIBDRO C[NH+]1CCC(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC001349910540 1066895040 /nfs/dbraw/zinc/89/50/40/1066895040.db2.gz KLXQJXXOHBXNOT-UHFFFAOYSA-N 1 0 452.433 4.407 20 5 JIBDRO C[C@@]1(c2cccc(C[NH2+]Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)c2)NC(=O)NC1=O ZINC001318366718 1067033389 /nfs/dbraw/zinc/03/33/89/1067033389.db2.gz DPRXRZNOIRJSQD-DEOSSOPVSA-N 1 0 480.908 4.385 20 5 JIBDRO O=C1COc2ccccc2N1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001318630554 1067058034 /nfs/dbraw/zinc/05/80/34/1067058034.db2.gz WBTROZXHJMPYFI-UHFFFAOYSA-N 1 0 472.295 4.133 20 5 JIBDRO CC1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC001354728133 1067064686 /nfs/dbraw/zinc/06/46/86/1067064686.db2.gz MPABAMLMNSKIKW-OFNKIYASSA-N 1 0 450.583 4.472 20 5 JIBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001351780528 1067204190 /nfs/dbraw/zinc/20/41/90/1067204190.db2.gz LHOHHUUZURYILW-UHFFFAOYSA-N 1 0 450.358 4.467 20 5 JIBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC001200831577 1067314609 /nfs/dbraw/zinc/31/46/09/1067314609.db2.gz XVPUGZFAIIEDMI-AUUYWEPGSA-N 1 0 455.902 4.058 20 5 JIBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001355894111 1067600796 /nfs/dbraw/zinc/60/07/96/1067600796.db2.gz CSSTYFVFXVNZQC-QFBILLFUSA-N 1 0 456.568 4.274 20 5 JIBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164680689 719672940 /nfs/dbraw/zinc/67/29/40/719672940.db2.gz GYQJVYBLEDCMLR-OAQYLSRUSA-N 1 0 487.604 4.236 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164718114 720107983 /nfs/dbraw/zinc/10/79/83/720107983.db2.gz RVQXUVOIGPEFDK-SFHVURJKSA-N 1 0 482.972 4.094 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164716230 720157523 /nfs/dbraw/zinc/15/75/23/720157523.db2.gz ZCQNPMUJBXBKHJ-LJQANCHMSA-N 1 0 482.972 4.094 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164841230 720681249 /nfs/dbraw/zinc/68/12/49/720681249.db2.gz IMIUPUBRJOBKBP-SFHVURJKSA-N 1 0 466.916 4.448 20 5 JIBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164837653 720710302 /nfs/dbraw/zinc/71/03/02/720710302.db2.gz FUCDYXRBIXZXRD-HSZRJFAPSA-N 1 0 459.550 4.312 20 5 JIBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1[N+](=O)[O-] ZINC001164760877 721041884 /nfs/dbraw/zinc/04/18/84/721041884.db2.gz FEKYNYXDOHZOCI-UHFFFAOYSA-N 1 0 487.988 4.406 20 5 JIBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164792279 721490386 /nfs/dbraw/zinc/49/03/86/721490386.db2.gz IRZHMJXZSIGPDP-UHFFFAOYSA-N 1 0 451.905 4.464 20 5 JIBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164809225 721561694 /nfs/dbraw/zinc/56/16/94/721561694.db2.gz WEPYJOVFQUFQCX-MIZPHKNDSA-N 1 0 453.930 4.060 20 5 JIBDRO 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 721801189 /nfs/dbraw/zinc/80/11/89/721801189.db2.gz UZMNMPCWGWYQDN-JCGIZDLHSA-N 1 0 451.905 4.320 20 5 JIBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164931128 721890658 /nfs/dbraw/zinc/89/06/58/721890658.db2.gz CZPBWKRGYPODHI-VQTJNVASSA-N 1 0 465.932 4.070 20 5 JIBDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCCS2)CC1 ZINC001359548321 1069854669 /nfs/dbraw/zinc/85/46/69/1069854669.db2.gz WFZNUDXAYZBLSJ-FQEVSTJZSA-N 1 0 458.632 4.450 20 5 JIBDRO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001359701169 1070366548 /nfs/dbraw/zinc/36/65/48/1070366548.db2.gz KTIDNQQLHFOQFS-UHFFFAOYSA-N 1 0 456.591 4.234 20 5 JIBDRO CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC[NH+](C)CC1 ZINC001316401443 1066179382 /nfs/dbraw/zinc/17/93/82/1066179382.db2.gz AZDWVGLEKCHGIP-CALCHBBNSA-N 1 0 494.612 4.408 20 5 JIBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC001316497748 1066451370 /nfs/dbraw/zinc/45/13/70/1066451370.db2.gz UZJLXRWYSXGEMM-KDURUIRLSA-N 1 0 456.591 4.122 20 5 JIBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 ZINC001355361529 1067433452 /nfs/dbraw/zinc/43/34/52/1067433452.db2.gz LSIWCXSWJXPDRY-UHFFFAOYSA-N 1 0 453.280 4.294 20 5 JIBDRO CN(c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001356380217 1067741563 /nfs/dbraw/zinc/74/15/63/1067741563.db2.gz VTAKONVMPYLBHR-UHFFFAOYSA-N 1 0 453.362 4.202 20 5 JIBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC001473302709 1067890561 /nfs/dbraw/zinc/89/05/61/1067890561.db2.gz VWVWKAVFLPOIBB-QANKJYHBSA-N 1 0 454.365 4.483 20 5 JIBDRO Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000849565848 1069216313 /nfs/dbraw/zinc/21/63/13/1069216313.db2.gz WSUDJMBTGYMQJT-IAGOWNOFSA-N 1 0 457.581 4.215 20 5 JIBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c(Cl)nn2)cc1 ZINC001164429983 718947611 /nfs/dbraw/zinc/94/76/11/718947611.db2.gz RJCWRTOOQXVTOF-FXAWDEMLSA-N 1 0 457.868 4.326 20 5 JIBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693434 719804818 /nfs/dbraw/zinc/80/48/18/719804818.db2.gz SSNXOTNXOVHDRX-UHFFFAOYSA-N 1 0 455.009 4.160 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164714907 720107154 /nfs/dbraw/zinc/10/71/54/720107154.db2.gz FBYHNSRYCYRBCV-INIZCTEOSA-N 1 0 466.369 4.199 20 5 JIBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC[C@@H]21 ZINC001164842165 720533408 /nfs/dbraw/zinc/53/34/08/720533408.db2.gz XAYFLIFXCZDOLO-ZWOKBUDYSA-N 1 0 454.962 4.371 20 5 JIBDRO 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 720629168 /nfs/dbraw/zinc/62/91/68/720629168.db2.gz PEOGSMTZXQFJKM-DXIQSLLYSA-N 1 0 481.988 4.280 20 5 JIBDRO 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 720644584 /nfs/dbraw/zinc/64/45/84/720644584.db2.gz LKJODKVWVXYHJU-HJNYFJLDSA-N 1 0 464.545 4.370 20 5 JIBDRO Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)nc3c2n1 ZINC001164741889 720830545 /nfs/dbraw/zinc/83/05/45/720830545.db2.gz OYQVZQSEFLMIQY-YPAWHYETSA-N 1 0 474.012 4.407 20 5 JIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753233 720887015 /nfs/dbraw/zinc/88/70/15/720887015.db2.gz GGHYQSHVFRPWBB-JPYJTQIMSA-N 1 0 492.407 4.447 20 5 JIBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)ccc1Cl ZINC001164909200 721561666 /nfs/dbraw/zinc/56/16/66/721561666.db2.gz SVFSHXTVHNJZEP-PKOBYXMFSA-N 1 0 469.904 4.186 20 5 JIBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164911235 721738082 /nfs/dbraw/zinc/73/80/82/721738082.db2.gz JCDXZMKMPCRGPS-NRFANRHFSA-N 1 0 474.899 4.324 20 5 JIBDRO 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 721801154 /nfs/dbraw/zinc/80/11/54/721801154.db2.gz UZMNMPCWGWYQDN-BMGDILEWSA-N 1 0 451.905 4.320 20 5 JIBDRO 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 721801334 /nfs/dbraw/zinc/80/13/34/721801334.db2.gz UZMNMPCWGWYQDN-ZTFGCOKTSA-N 1 0 451.905 4.320 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001165020656 721828380 /nfs/dbraw/zinc/82/83/80/721828380.db2.gz DBEHGDPXJNBCLF-QMHWCDLVSA-N 1 0 462.529 4.323 20 5 JIBDRO Cc1cccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CC[N@H+](C)C2CCCC2)n1 ZINC001492501990 1066300230 /nfs/dbraw/zinc/30/02/30/1066300230.db2.gz FSIQCLAQQCWMAB-UHFFFAOYSA-N 1 0 463.586 4.110 20 5 JIBDRO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001351593475 1067136847 /nfs/dbraw/zinc/13/68/47/1067136847.db2.gz CVJDQOINZVOOPB-UHFFFAOYSA-N 1 0 453.326 4.061 20 5 JIBDRO Cc1ccc(Sc2ccc(C[NH2+]Cc3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc2[N+](=O)[O-])cc1 ZINC001321653395 1067190066 /nfs/dbraw/zinc/19/00/66/1067190066.db2.gz JCFYALXYJJPZFE-RUZDIDTESA-N 1 0 476.558 4.399 20 5 JIBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)C1 ZINC001355335593 1067423247 /nfs/dbraw/zinc/42/32/47/1067423247.db2.gz PTOVYLDEPREQFH-DEOSSOPVSA-N 1 0 454.454 4.486 20 5 JIBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC001355894120 1067600966 /nfs/dbraw/zinc/60/09/66/1067600966.db2.gz CSSTYFVFXVNZQC-VQIMIIECSA-N 1 0 456.568 4.274 20 5 JIBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)cc1 ZINC001200171644 1067805145 /nfs/dbraw/zinc/80/51/45/1067805145.db2.gz DGURCCZXWDATEZ-UHFFFAOYSA-N 1 0 451.957 4.045 20 5 JIBDRO CCC[NH+]1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2Cl)CC1 ZINC001357551829 1067868621 /nfs/dbraw/zinc/86/86/21/1067868621.db2.gz KZPSWBUFMREHSA-UHFFFAOYSA-N 1 0 455.946 4.443 20 5 JIBDRO Cc1ccccc1-c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492564621 1068067923 /nfs/dbraw/zinc/06/79/23/1068067923.db2.gz NKWYGFCBJKVUQQ-NRFANRHFSA-N 1 0 480.617 4.176 20 5 JIBDRO Cc1cc([N+](=O)[O-])c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1Cl ZINC001164681891 719664020 /nfs/dbraw/zinc/66/40/20/719664020.db2.gz SDFDWWFKVVVGPE-GOSISDBHSA-N 1 0 486.016 4.045 20 5 JIBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837583 720643659 /nfs/dbraw/zinc/64/36/59/720643659.db2.gz DEPPAIDOAHXBQA-CMKODMSKSA-N 1 0 454.962 4.371 20 5 JIBDRO CSc1nc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164840336 720694796 /nfs/dbraw/zinc/69/47/96/720694796.db2.gz CYLQVNBRAQUQBI-INIZCTEOSA-N 1 0 463.991 4.020 20 5 JIBDRO Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@@H](C[C@H](Cn6cncn6)[N@@H+]5CC5CC5)C4)nc3c2n1 ZINC001164741881 720830982 /nfs/dbraw/zinc/83/09/82/720830982.db2.gz OYQVZQSEFLMIQY-BHDDXSALSA-N 1 0 474.012 4.407 20 5 JIBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751642 720880769 /nfs/dbraw/zinc/88/07/69/720880769.db2.gz LNQLUALNQQRVJV-WZONZLPQSA-N 1 0 492.407 4.447 20 5 JIBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5ccc6ccc(Cl)nc6c5n4)C3)O2)CC1 ZINC001164883877 721414586 /nfs/dbraw/zinc/41/45/86/721414586.db2.gz CEJHXDNHUPKADI-QFQXNSOFSA-N 1 0 466.029 4.202 20 5 JIBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164907465 721585002 /nfs/dbraw/zinc/58/50/02/721585002.db2.gz TZEOTKWSPQOKPB-GOSISDBHSA-N 1 0 473.858 4.321 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001165024505 721806860 /nfs/dbraw/zinc/80/68/60/721806860.db2.gz LKJNWEVUUXZWFZ-NYSBEXSLSA-N 1 0 452.946 4.323 20 5 JIBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)CC3)C2)cc1 ZINC001164939350 721924763 /nfs/dbraw/zinc/92/47/63/721924763.db2.gz JQFVVBSVRWHJOX-UHFFFAOYSA-N 1 0 466.916 4.368 20 5 JIBDRO O=[N+]([O-])c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1-c1ccc(F)cc1 ZINC001164963198 722062243 /nfs/dbraw/zinc/06/22/43/722062243.db2.gz BAHYAYZPKRVFDN-UHFFFAOYSA-N 1 0 477.540 4.310 20 5 JIBDRO CC(C)(C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCCCC[NH+]1CCCCC1 ZINC001359514109 1069800580 /nfs/dbraw/zinc/80/05/80/1069800580.db2.gz VWICJCJJWRQYDP-UHFFFAOYSA-N 1 0 483.661 4.467 20 5 JIBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC[C@H]1C ZINC001300794286 1069844905 /nfs/dbraw/zinc/84/49/05/1069844905.db2.gz JIKKEMRQTGZCMX-YFXJRYMSSA-N 1 0 470.618 4.225 20 5 JIBDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001315707273 1064980713 /nfs/dbraw/zinc/98/07/13/1064980713.db2.gz XWDMXYLUXRKYIX-FQEVSTJZSA-N 1 0 470.618 4.225 20 5 JIBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001315903264 1065381702 /nfs/dbraw/zinc/38/17/02/1065381702.db2.gz SCPQARAHIHEUNV-OAQYLSRUSA-N 1 0 470.618 4.084 20 5 JIBDRO CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001316432221 1066273554 /nfs/dbraw/zinc/27/35/54/1066273554.db2.gz FSHWODHADLBTDO-FQEVSTJZSA-N 1 0 458.632 4.307 20 5 JIBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCSCC(F)(F)F)c1 ZINC001316582634 1066598719 /nfs/dbraw/zinc/59/87/19/1066598719.db2.gz SGSLJGOVNDKLHW-SFHVURJKSA-N 1 0 484.548 4.213 20 5 JIBDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c2cccs2)CC1 ZINC001351007935 1067030823 /nfs/dbraw/zinc/03/08/23/1067030823.db2.gz MVXFSJJVPQQUGY-FQEVSTJZSA-N 1 0 457.531 4.184 20 5 JIBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC001200831587 1067314662 /nfs/dbraw/zinc/31/46/62/1067314662.db2.gz XVPUGZFAIIEDMI-KUHUBIRLSA-N 1 0 455.902 4.058 20 5 JIBDRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC001352338133 1067334597 /nfs/dbraw/zinc/33/45/97/1067334597.db2.gz XHBQDVAQMMRCGV-BJKOFHAPSA-N 1 0 458.562 4.347 20 5 JIBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2F)CC1 ZINC001352675720 1067620154 /nfs/dbraw/zinc/62/01/54/1067620154.db2.gz ABGWVTWZHDOKGT-UHFFFAOYSA-N 1 0 452.433 4.118 20 5 JIBDRO CC[NH+](CC)CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)c1cccc(Br)c1 ZINC001358456278 1068095391 /nfs/dbraw/zinc/09/53/91/1068095391.db2.gz DFCXOCCAFDBONK-UHFFFAOYSA-N 1 0 450.333 4.355 20 5 JIBDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cc(OC)c(OCC(F)(F)F)cc3[N+](=O)[O-])c2c1 ZINC001200390650 1068364118 /nfs/dbraw/zinc/36/41/18/1068364118.db2.gz NQWYASBBBQDJLK-UHFFFAOYSA-N 1 0 453.417 4.367 20 5 JIBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680725 719664531 /nfs/dbraw/zinc/66/45/31/719664531.db2.gz IDYMWHBHYPDODJ-SFHVURJKSA-N 1 0 486.016 4.045 20 5 JIBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164713020 720132184 /nfs/dbraw/zinc/13/21/84/720132184.db2.gz OXAOYUHDWOJHHA-QHCPKHFHSA-N 1 0 488.592 4.263 20 5 JIBDRO 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 720645751 /nfs/dbraw/zinc/64/57/51/720645751.db2.gz LKJODKVWVXYHJU-BAGYTPMASA-N 1 0 464.545 4.370 20 5 JIBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001165020652 721828458 /nfs/dbraw/zinc/82/84/58/721828458.db2.gz DBEHGDPXJNBCLF-JXHRLWIKSA-N 1 0 462.529 4.323 20 5 JIBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164960697 722060066 /nfs/dbraw/zinc/06/00/66/722060066.db2.gz HWULAABDXNMUGP-UHFFFAOYSA-N 1 0 467.957 4.310 20 5 JIBDRO 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 1064999672 /nfs/dbraw/zinc/99/96/72/1064999672.db2.gz BZVOLMLCZOQQET-SEDAZVQISA-N 1 0 484.645 4.473 20 5 JIBDRO COC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001315895102 1065360477 /nfs/dbraw/zinc/36/04/77/1065360477.db2.gz OFNGVOIMWOLVDI-LEWJYISDSA-N 1 0 470.618 4.371 20 5 JIBDRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1I ZINC001318121378 1066910414 /nfs/dbraw/zinc/91/04/14/1066910414.db2.gz KRUWLWFQMVQNJR-UHFFFAOYSA-N 1 0 451.264 4.048 20 5 JIBDRO O=C(CCN1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 ZINC001318367969 1067033118 /nfs/dbraw/zinc/03/31/18/1067033118.db2.gz OYAUTIBIYMOIEB-UHFFFAOYSA-N 1 0 498.967 4.459 20 5 JIBDRO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC001351449420 1067096663 /nfs/dbraw/zinc/09/66/63/1067096663.db2.gz PEERWXMMDMEBNY-UHFFFAOYSA-N 1 0 457.552 4.141 20 5 JIBDRO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)cc1 ZINC001354825584 1067147288 /nfs/dbraw/zinc/14/72/88/1067147288.db2.gz KENXHGKLJINUOW-FMIVXFBMSA-N 1 0 451.445 4.140 20 5 JIBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC001351865750 1067227971 /nfs/dbraw/zinc/22/79/71/1067227971.db2.gz OQJRKSPQGGBSIT-UHFFFAOYSA-N 1 0 458.540 4.209 20 5 JIBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccc([N+](=O)[O-])cc2)C1 ZINC001355335596 1067423104 /nfs/dbraw/zinc/42/31/04/1067423104.db2.gz PTOVYLDEPREQFH-XMMPIXPASA-N 1 0 454.454 4.486 20 5 JIBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001355668543 1067546935 /nfs/dbraw/zinc/54/69/35/1067546935.db2.gz SPZILDMQEUOEDJ-UHFFFAOYSA-N 1 0 454.390 4.332 20 5 JIBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001356622782 1067793992 /nfs/dbraw/zinc/79/39/92/1067793992.db2.gz BWBZKCDGVYBVQP-IBGZPJMESA-N 1 0 451.552 4.278 20 5 JIBDRO CSc1ccc(C(=O)NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC001357904219 1067935990 /nfs/dbraw/zinc/93/59/90/1067935990.db2.gz DKXNELIABPEKRH-HDICACEKSA-N 1 0 457.596 4.256 20 5 JIBDRO CSc1ccc(C(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC001357904221 1067936022 /nfs/dbraw/zinc/93/60/22/1067936022.db2.gz DKXNELIABPEKRH-QZTJIDSGSA-N 1 0 457.596 4.256 20 5 JIBDRO Cc1ccccc1-c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001492564577 1068067307 /nfs/dbraw/zinc/06/73/07/1068067307.db2.gz MDDBDGJORLDQHA-NRFANRHFSA-N 1 0 480.617 4.176 20 5 JIBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC001300585135 1069130350 /nfs/dbraw/zinc/13/03/50/1069130350.db2.gz NFJCPJFLNXQBLR-UHFFFAOYSA-N 1 0 457.574 4.025 20 5 JIBDRO Cc1cc([N+](=O)[O-])c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1Cl ZINC001164681893 719663416 /nfs/dbraw/zinc/66/34/16/719663416.db2.gz SDFDWWFKVVVGPE-SFHVURJKSA-N 1 0 486.016 4.045 20 5 JIBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164714175 720107639 /nfs/dbraw/zinc/10/76/39/720107639.db2.gz AJPIXVSGOZHFFY-LJQANCHMSA-N 1 0 482.972 4.094 20 5 JIBDRO 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 720620555 /nfs/dbraw/zinc/62/05/55/720620555.db2.gz UIMQCQFXKJCYCO-AGILITTLSA-N 1 0 475.597 4.189 20 5 JIBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2ccccc21 ZINC001164758106 720886298 /nfs/dbraw/zinc/88/62/98/720886298.db2.gz WUTMLBFMNSHOSA-WXVAWEFUSA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753235 720886766 /nfs/dbraw/zinc/88/67/66/720886766.db2.gz GGHYQSHVFRPWBB-MBSDFSHPSA-N 1 0 492.407 4.447 20 5 JIBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc([N+](=O)[O-])c4)c3)CC[C@@H]2C1 ZINC001164855987 720892376 /nfs/dbraw/zinc/89/23/76/720892376.db2.gz FDNUPKGYYBZZFL-DYESRHJHSA-N 1 0 496.942 4.029 20 5 JIBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753671 720935757 /nfs/dbraw/zinc/93/57/57/720935757.db2.gz RZEBWPULNPDPAT-KCWPFWIISA-N 1 0 473.577 4.293 20 5 JIBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cnc1Cl ZINC001164907466 721584889 /nfs/dbraw/zinc/58/48/89/721584889.db2.gz TZEOTKWSPQOKPB-SFHVURJKSA-N 1 0 473.858 4.321 20 5 JIBDRO Cc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027757 721826220 /nfs/dbraw/zinc/82/62/20/721826220.db2.gz TYPNOWBHGHECDV-OYDLWJJNSA-N 1 0 458.566 4.492 20 5 JIBDRO