smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2Cl)CC1 ZINC001434885211 1064316664 /nfs/dbraw/zinc/31/66/64/1064316664.db2.gz ZCMOQCKOYHXVMN-UHFFFAOYSA-N 1 0 453.930 4.581 20 5 JJBDRO CC(C)Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001359784791 1064437706 /nfs/dbraw/zinc/43/77/06/1064437706.db2.gz NZWJFZHWAWLMTK-HXUWFJFHSA-N 1 0 456.635 4.574 20 5 JJBDRO CC(C)Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001359811760 1064487666 /nfs/dbraw/zinc/48/76/66/1064487666.db2.gz YHAUCOASNXLMQY-FQEVSTJZSA-N 1 0 494.644 4.552 20 5 JJBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001435140943 1064541602 /nfs/dbraw/zinc/54/16/02/1064541602.db2.gz YLBKQLHTISVWST-UHFFFAOYSA-N 1 0 457.596 4.639 20 5 JJBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435339074 1064709313 /nfs/dbraw/zinc/70/93/13/1064709313.db2.gz KKQICNZWFXAQFQ-NBGIEHNGSA-N 1 0 459.546 4.814 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)(F)F)C1 ZINC001360007202 1064793819 /nfs/dbraw/zinc/79/38/19/1064793819.db2.gz AKGJTDITLQZIGQ-KRWDZBQOSA-N 1 0 468.524 4.610 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360116182 1065000272 /nfs/dbraw/zinc/00/02/72/1065000272.db2.gz XILQYXWWUXPWMC-QHCPKHFHSA-N 1 0 484.645 4.965 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360116432 1065000701 /nfs/dbraw/zinc/00/07/01/1065000701.db2.gz FAARSDLREAAVCD-UHFFFAOYSA-N 1 0 491.640 4.852 20 5 JJBDRO CC(C)[NH+](CCn1c(CC(C)(C)C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC001360133302 1065028199 /nfs/dbraw/zinc/02/81/99/1065028199.db2.gz QXXIXFJNWYYSCY-UHFFFAOYSA-N 1 0 486.661 4.942 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001360141672 1065041318 /nfs/dbraw/zinc/04/13/18/1065041318.db2.gz RHJSNXOHHGMFRH-KIFXHHALSA-N 1 0 498.672 4.862 20 5 JJBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436018327 1065116603 /nfs/dbraw/zinc/11/66/03/1065116603.db2.gz WXWPEKKEYUCQRT-NRFANRHFSA-N 1 0 450.564 4.749 20 5 JJBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1 ZINC001360294818 1065128782 /nfs/dbraw/zinc/12/87/82/1065128782.db2.gz QILFFRDLOZWXNT-UHFFFAOYSA-N 1 0 453.539 4.732 20 5 JJBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001436276605 1065284804 /nfs/dbraw/zinc/28/48/04/1065284804.db2.gz WGBNIENDYXTIKR-NRFANRHFSA-N 1 0 458.562 4.801 20 5 JJBDRO C[C@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCCC1 ZINC001360453933 1065349266 /nfs/dbraw/zinc/34/92/66/1065349266.db2.gz BBLFQEDYZJQFFL-GOSISDBHSA-N 1 0 452.559 4.908 20 5 JJBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001438060276 1065662124 /nfs/dbraw/zinc/66/21/24/1065662124.db2.gz KOOFEHWBJFRCOC-KRWDZBQOSA-N 1 0 459.974 4.917 20 5 JJBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001360735548 1065763785 /nfs/dbraw/zinc/76/37/85/1065763785.db2.gz SRXZECWAXHOSEW-IRLDBZIGSA-N 1 0 450.583 4.710 20 5 JJBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001360735549 1065763979 /nfs/dbraw/zinc/76/39/79/1065763979.db2.gz SRXZECWAXHOSEW-RBBKRZOGSA-N 1 0 450.583 4.710 20 5 JJBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC001441624202 1066055473 /nfs/dbraw/zinc/05/54/73/1066055473.db2.gz OYVFUQWDNWBHDH-WOJBJXKFSA-N 1 0 452.599 4.849 20 5 JJBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 ZINC001441969147 1066083438 /nfs/dbraw/zinc/08/34/38/1066083438.db2.gz KNLLIHURTASFKE-UHFFFAOYSA-N 1 0 456.593 4.912 20 5 JJBDRO Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001360932928 1066090992 /nfs/dbraw/zinc/09/09/92/1066090992.db2.gz VCDXITUKXMJRRE-QGZVFWFLSA-N 1 0 483.642 4.765 20 5 JJBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)Cc1ccccc12 ZINC001454262940 1066259292 /nfs/dbraw/zinc/25/92/92/1066259292.db2.gz WVAJJQNINZCTHR-UHFFFAOYSA-N 1 0 452.313 4.660 20 5 JJBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001443414936 1066308258 /nfs/dbraw/zinc/30/82/58/1066308258.db2.gz WACSQMKRPXXYNL-HXUWFJFHSA-N 1 0 453.608 4.924 20 5 JJBDRO Cc1cc(Cn2c(N(C)CCc3cccc([N+](=O)[O-])c3)nnc2C(C)(C)C)cc(N2CCCC2)[nH+]1 ZINC001361084464 1066322786 /nfs/dbraw/zinc/32/27/86/1066322786.db2.gz SOCPEHDIKPUDDC-UHFFFAOYSA-N 1 0 477.613 4.515 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@H](C)C[NH+]2CCCCC2)o1 ZINC001361187381 1066512093 /nfs/dbraw/zinc/51/20/93/1066512093.db2.gz OXGPJOWYJRJHCU-LJQANCHMSA-N 1 0 466.586 4.556 20 5 JJBDRO C[C@@H]1C[C@@H](NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@@H+]1C ZINC001445059835 1066535727 /nfs/dbraw/zinc/53/57/27/1066535727.db2.gz YLGBRJNWAZDLQM-QIVIOXESSA-N 1 0 450.564 4.734 20 5 JJBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC001446036050 1066649208 /nfs/dbraw/zinc/64/92/08/1066649208.db2.gz PEXUHAFGMABXNO-UHFFFAOYSA-N 1 0 457.596 4.944 20 5 JJBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001457178884 1066781384 /nfs/dbraw/zinc/78/13/84/1066781384.db2.gz PMJCBFPNNCOZBX-KOSHJBKYSA-N 1 0 457.958 4.530 20 5 JJBDRO Cc1nc(Cc2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2CC2([NH+](C)C)CCCC2)cs1 ZINC001492669698 1066798168 /nfs/dbraw/zinc/79/81/68/1066798168.db2.gz HFIIFYDQPVZEMH-UHFFFAOYSA-N 1 0 497.669 4.831 20 5 JJBDRO Cc1ncc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001492695877 1066844159 /nfs/dbraw/zinc/84/41/59/1066844159.db2.gz ORSFYIIVTOQHBY-IBGZPJMESA-N 1 0 483.642 4.623 20 5 JJBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001458246714 1067011474 /nfs/dbraw/zinc/01/14/74/1067011474.db2.gz YBWOTOINFJYFGU-UHFFFAOYSA-N 1 0 454.280 4.612 20 5 JJBDRO C[C@@H](Nc1ccc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-])c1ccccn1 ZINC001450232965 1067061875 /nfs/dbraw/zinc/06/18/75/1067061875.db2.gz YASYNKNBTRGEMW-GOSISDBHSA-N 1 0 451.571 4.547 20 5 JJBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC001545822957 1067164381 /nfs/dbraw/zinc/16/43/81/1067164381.db2.gz VKPMFBJQDDFPAG-UHFFFAOYSA-N 1 0 453.539 4.780 20 5 JJBDRO CC[C@@]1(C)CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)O1 ZINC001546048122 1067285923 /nfs/dbraw/zinc/28/59/23/1067285923.db2.gz IJHNCJOACLVLMO-OFVILXPXSA-N 1 0 470.618 4.512 20 5 JJBDRO COc1ccc(CCC[N@H+](C)[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC001459346519 1067299666 /nfs/dbraw/zinc/29/96/66/1067299666.db2.gz GDSWHGOTZODDGU-MRXNPFEDSA-N 1 0 454.552 4.619 20 5 JJBDRO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC001459607408 1067362252 /nfs/dbraw/zinc/36/22/52/1067362252.db2.gz XOXGSBXWOCKUMM-VQIMIIECSA-N 1 0 455.946 4.783 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001459765651 1067413445 /nfs/dbraw/zinc/41/34/45/1067413445.db2.gz WANXZRTYVOWTKV-UHFFFAOYSA-N 1 0 451.445 4.830 20 5 JJBDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001459828928 1067442574 /nfs/dbraw/zinc/44/25/74/1067442574.db2.gz TUQOUDWBVLOLHE-LJQANCHMSA-N 1 0 454.548 4.607 20 5 JJBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001459853253 1067457827 /nfs/dbraw/zinc/45/78/27/1067457827.db2.gz NCKUPYXYTRWUMC-JKSUJKDBSA-N 1 0 457.527 4.611 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC001459867004 1067464686 /nfs/dbraw/zinc/46/46/86/1067464686.db2.gz FDKBPKDDGUUJQW-LJQANCHMSA-N 1 0 457.836 4.955 20 5 JJBDRO CC1(C)C[C@H]([N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc2)C(C)(C)O1 ZINC001459872799 1067468400 /nfs/dbraw/zinc/46/84/00/1067468400.db2.gz WEHYNNBMZYHXGS-QFIPXVFZSA-N 1 0 453.539 4.741 20 5 JJBDRO O=C(C[NH2+][C@@H](CC1CCCCC1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001459878530 1067470322 /nfs/dbraw/zinc/47/03/22/1067470322.db2.gz SBXUGDFLJTYJMJ-VWLOTQADSA-N 1 0 450.583 4.545 20 5 JJBDRO O=C(CC[NH+]1CCC(c2ccc(Br)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460012529 1067526733 /nfs/dbraw/zinc/52/67/33/1067526733.db2.gz UMNIHEKRKGGDMV-UHFFFAOYSA-N 1 0 450.308 4.705 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001460090326 1067551793 /nfs/dbraw/zinc/55/17/93/1067551793.db2.gz QKEYPBOIEVBSRM-FQEVSTJZSA-N 1 0 453.417 4.572 20 5 JJBDRO C[C@@H](Nc1ccc(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC001460399812 1067626979 /nfs/dbraw/zinc/62/69/79/1067626979.db2.gz FYRWHCGJBKKCBJ-NQIIRXRSSA-N 1 0 459.550 4.686 20 5 JJBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460678160 1067698145 /nfs/dbraw/zinc/69/81/45/1067698145.db2.gz ALFAYUFCIVROGQ-IBGZPJMESA-N 1 0 450.564 4.750 20 5 JJBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc1OC ZINC001460751202 1067715952 /nfs/dbraw/zinc/71/59/52/1067715952.db2.gz OGDDMGGYQJMPDQ-FFZOFVMBSA-N 1 0 462.587 4.828 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001460814158 1067728589 /nfs/dbraw/zinc/72/85/89/1067728589.db2.gz JEGGXCSGGUVGRZ-OAHLLOKOSA-N 1 0 451.445 4.617 20 5 JJBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001460817518 1067729063 /nfs/dbraw/zinc/72/90/63/1067729063.db2.gz PFQFDKKFGLKYOD-OAHLLOKOSA-N 1 0 451.445 4.617 20 5 JJBDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 ZINC001461016644 1067762528 /nfs/dbraw/zinc/76/25/28/1067762528.db2.gz JZARLVAZIBBWCL-JOCHJYFZSA-N 1 0 455.942 4.980 20 5 JJBDRO CCc1nc(CN2CCC(C[NH2+]Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cs1 ZINC001461210165 1067800112 /nfs/dbraw/zinc/80/01/12/1067800112.db2.gz QNCBNHSIVISVPY-UHFFFAOYSA-N 1 0 457.625 4.739 20 5 JJBDRO Cc1ccc(Sc2ccc(C[NH2+]Cc3ccccc3CS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC001461339744 1067833484 /nfs/dbraw/zinc/83/34/84/1067833484.db2.gz AFYAORGFQRYPLF-UHFFFAOYSA-N 1 0 456.589 4.889 20 5 JJBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(Cl)ccc1I ZINC001461381758 1067843500 /nfs/dbraw/zinc/84/35/00/1067843500.db2.gz JLXXVHLDXWFRQL-UHFFFAOYSA-N 1 0 451.091 4.839 20 5 JJBDRO COc1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461586856 1067894981 /nfs/dbraw/zinc/89/49/81/1067894981.db2.gz FOBUCQWPFJECBI-OAQYLSRUSA-N 1 0 450.491 4.502 20 5 JJBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001461750449 1067930239 /nfs/dbraw/zinc/93/02/39/1067930239.db2.gz JPWSTHSPZJSRIZ-HNNXBMFYSA-N 1 0 451.470 4.837 20 5 JJBDRO COc1cc(C[NH2+][C@H]2COc3c(F)cc(F)cc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461813265 1067940795 /nfs/dbraw/zinc/94/07/95/1067940795.db2.gz NSXIRLWZUJHWOX-LJQANCHMSA-N 1 0 456.445 4.554 20 5 JJBDRO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001461909007 1067959635 /nfs/dbraw/zinc/95/96/35/1067959635.db2.gz MLFCFYMXKWRQBV-UHFFFAOYSA-N 1 0 450.564 4.750 20 5 JJBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC001463918704 1068565573 /nfs/dbraw/zinc/56/55/73/1068565573.db2.gz WYKUUXLVDSZZAG-KUHUBIRLSA-N 1 0 454.354 4.868 20 5 JJBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001464412773 1068737143 /nfs/dbraw/zinc/73/71/43/1068737143.db2.gz GQNLMXRMMYIQDF-FGTMMUONSA-N 1 0 458.990 4.957 20 5 JJBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001464412782 1068737369 /nfs/dbraw/zinc/73/73/69/1068737369.db2.gz GQNLMXRMMYIQDF-KURKYZTESA-N 1 0 458.990 4.957 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c(Cl)nn2)cc1 ZINC001164388546 718815874 /nfs/dbraw/zinc/81/58/74/718815874.db2.gz PMACGNXRIJNRRZ-QGZVFWFLSA-N 1 0 491.848 4.761 20 5 JJBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725083 720385170 /nfs/dbraw/zinc/38/51/70/720385170.db2.gz LRYHZKAOZJOTGZ-OALUTQOASA-N 1 0 469.904 4.823 20 5 JJBDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164733016 720548998 /nfs/dbraw/zinc/54/89/98/720548998.db2.gz HWXFQCNHNDDBDJ-QGZVFWFLSA-N 1 0 495.958 4.766 20 5 JJBDRO Clc1ccc2ccc3ccc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)nc3c2n1 ZINC001164963791 722056582 /nfs/dbraw/zinc/05/65/82/722056582.db2.gz KZBXYIFXKALVRD-UHFFFAOYSA-N 1 0 474.008 4.950 20 5 JJBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001359766810 1064394599 /nfs/dbraw/zinc/39/45/99/1064394599.db2.gz USTDTMQHOYUQBJ-NHCUHLMSSA-N 1 0 452.559 4.764 20 5 JJBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001435081831 1064503594 /nfs/dbraw/zinc/50/35/94/1064503594.db2.gz TZHDJXMCOMDRLI-UHFFFAOYSA-N 1 0 457.880 4.790 20 5 JJBDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC2CCC2)CC1 ZINC001359947497 1064696373 /nfs/dbraw/zinc/69/63/73/1064696373.db2.gz NBSPTEBEXJXDHG-UHFFFAOYSA-N 1 0 454.619 4.848 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccn3C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010029 1064800684 /nfs/dbraw/zinc/80/06/84/1064800684.db2.gz JCBIZZXIYBFWQM-QHCPKHFHSA-N 1 0 493.656 4.975 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccn3C)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010028 1064800765 /nfs/dbraw/zinc/80/07/65/1064800765.db2.gz JCBIZZXIYBFWQM-HSZRJFAPSA-N 1 0 493.656 4.975 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010615 1064803646 /nfs/dbraw/zinc/80/36/46/1064803646.db2.gz SUDYUTRWGALDBJ-ZEQRLZLVSA-N 1 0 498.672 4.863 20 5 JJBDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001436255177 1065276076 /nfs/dbraw/zinc/27/60/76/1065276076.db2.gz NEGZTFFNRLOTIO-UHFFFAOYSA-N 1 0 457.836 4.992 20 5 JJBDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001436435725 1065318789 /nfs/dbraw/zinc/31/87/89/1065318789.db2.gz YREBXCOOLPEOIN-QFIPXVFZSA-N 1 0 455.624 4.879 20 5 JJBDRO C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([NH+](C)C)CCCCC1 ZINC001360454601 1065352673 /nfs/dbraw/zinc/35/26/73/1065352673.db2.gz NMDAHCHJOJMZHY-SFHVURJKSA-N 1 0 452.559 4.908 20 5 JJBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001360496882 1065412887 /nfs/dbraw/zinc/41/28/87/1065412887.db2.gz CCAPCFXLOYAFRF-IBGZPJMESA-N 1 0 468.627 4.714 20 5 JJBDRO COc1cc(C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC001439756702 1065871018 /nfs/dbraw/zinc/87/10/18/1065871018.db2.gz GJRQOCMOYFBSAI-HFZDXXHNSA-N 1 0 463.509 4.531 20 5 JJBDRO Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001360932235 1066089888 /nfs/dbraw/zinc/08/98/88/1066089888.db2.gz JFSXMROBNVWXDI-GOSISDBHSA-N 1 0 452.559 4.656 20 5 JJBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001454013330 1066235279 /nfs/dbraw/zinc/23/52/79/1066235279.db2.gz RVGQBKSEDAYWMG-OAHLLOKOSA-N 1 0 453.486 4.979 20 5 JJBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC001442871199 1066235170 /nfs/dbraw/zinc/23/51/70/1066235170.db2.gz IBLDGSYASQRMIV-IEGUWTFLSA-N 1 0 454.571 4.545 20 5 JJBDRO CC1CCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC001456054531 1066495106 /nfs/dbraw/zinc/49/51/06/1066495106.db2.gz IHQBPTMLHZAHIL-UHFFFAOYSA-N 1 0 458.990 4.689 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2C[C@@H](C)C[NH+]2CCCCC2)o1 ZINC001361187380 1066511999 /nfs/dbraw/zinc/51/19/99/1066511999.db2.gz OXGPJOWYJRJHCU-IBGZPJMESA-N 1 0 466.586 4.556 20 5 JJBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc(Cl)cc1 ZINC001445081785 1066537587 /nfs/dbraw/zinc/53/75/87/1066537587.db2.gz DIVYSOQIJGPQHY-HSZRJFAPSA-N 1 0 452.942 4.893 20 5 JJBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC001445563818 1066587730 /nfs/dbraw/zinc/58/77/30/1066587730.db2.gz BGBNFPUIOWYJFL-AWEZNQCLSA-N 1 0 456.356 4.613 20 5 JJBDRO CC1([NH+]2CCC2)CCC(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC001456685639 1066666257 /nfs/dbraw/zinc/66/62/57/1066666257.db2.gz CNSSXTZZMULNLA-UHFFFAOYSA-N 1 0 456.974 4.997 20 5 JJBDRO CS[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001447106800 1066773813 /nfs/dbraw/zinc/77/38/13/1066773813.db2.gz QWSQMXIHLZXEHJ-SJLPKXTDSA-N 1 0 452.001 4.517 20 5 JJBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)CC2)CC1 ZINC001458194504 1067001499 /nfs/dbraw/zinc/00/14/99/1067001499.db2.gz MTPICPASGBPYOE-UHFFFAOYSA-N 1 0 450.583 4.980 20 5 JJBDRO CC1(C)CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449934635 1067037956 /nfs/dbraw/zinc/03/79/56/1067037956.db2.gz DMXSQMNUJYRYOK-QFIPXVFZSA-N 1 0 456.974 4.593 20 5 JJBDRO CC(C)c1n[nH]c(C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001451031054 1067140636 /nfs/dbraw/zinc/14/06/36/1067140636.db2.gz LLMFHPYUEZWLLO-NRFANRHFSA-N 1 0 453.587 4.738 20 5 JJBDRO CC(C)c1n[nH]c(C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001451031079 1067140731 /nfs/dbraw/zinc/14/07/31/1067140731.db2.gz LLMFHPYUEZWLLO-OAQYLSRUSA-N 1 0 453.587 4.738 20 5 JJBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001452724564 1067246642 /nfs/dbraw/zinc/24/66/42/1067246642.db2.gz FQMNWPIXVIMTFL-DOIQENQNSA-N 1 0 452.580 4.838 20 5 JJBDRO CC[C@]1(C)CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)O1 ZINC001546048124 1067286005 /nfs/dbraw/zinc/28/60/05/1067286005.db2.gz IJHNCJOACLVLMO-SQJMNOBHSA-N 1 0 470.618 4.512 20 5 JJBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001459412542 1067316610 /nfs/dbraw/zinc/31/66/10/1067316610.db2.gz HZSOJGBEKUOMJF-OAQYLSRUSA-N 1 0 450.564 4.749 20 5 JJBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459488742 1067337041 /nfs/dbraw/zinc/33/70/41/1067337041.db2.gz NLUDCUAHYYQLCZ-HNNXBMFYSA-N 1 0 452.351 4.504 20 5 JJBDRO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC001459607401 1067362121 /nfs/dbraw/zinc/36/21/21/1067362121.db2.gz XOXGSBXWOCKUMM-LPHOPBHVSA-N 1 0 455.946 4.783 20 5 JJBDRO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC001459607405 1067362181 /nfs/dbraw/zinc/36/21/81/1067362181.db2.gz XOXGSBXWOCKUMM-QFBILLFUSA-N 1 0 455.946 4.783 20 5 JJBDRO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC001459719861 1067395045 /nfs/dbraw/zinc/39/50/45/1067395045.db2.gz MEFVUMXQJLIFIA-VBKZILBWSA-N 1 0 456.381 4.921 20 5 JJBDRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC001459719862 1067395105 /nfs/dbraw/zinc/39/51/05/1067395105.db2.gz MEFVUMXQJLIFIA-VLIAUNLRSA-N 1 0 456.381 4.921 20 5 JJBDRO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001459762420 1067412933 /nfs/dbraw/zinc/41/29/33/1067412933.db2.gz JAWODSVEYOVAHO-OAQYLSRUSA-N 1 0 450.583 4.751 20 5 JJBDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C2CC2)cc1 ZINC001459824984 1067440708 /nfs/dbraw/zinc/44/07/08/1067440708.db2.gz JELOFENQKNWNIK-LHSJRXKWSA-N 1 0 452.536 4.795 20 5 JJBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001459848297 1067453696 /nfs/dbraw/zinc/45/36/96/1067453696.db2.gz HFDNSEDKMXWLCM-XZOQPEGZSA-N 1 0 451.523 4.637 20 5 JJBDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001459852801 1067457148 /nfs/dbraw/zinc/45/71/48/1067457148.db2.gz OPOJOTLRFQJAHW-VWLOTQADSA-N 1 0 459.546 4.683 20 5 JJBDRO C[C@@H](C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Oc1ccc(Cl)c(Cl)c1 ZINC001459950819 1067504251 /nfs/dbraw/zinc/50/42/51/1067504251.db2.gz KLXQVAWMTOOTNC-ZDUSSCGKSA-N 1 0 454.310 4.599 20 5 JJBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)c2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 ZINC001459965780 1067509913 /nfs/dbraw/zinc/50/99/13/1067509913.db2.gz XMQILZONIFNSBE-INIZCTEOSA-N 1 0 454.296 4.575 20 5 JJBDRO O=C(CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001460315748 1067605773 /nfs/dbraw/zinc/60/57/73/1067605773.db2.gz VEGQXBFKNAUBFR-UHFFFAOYSA-N 1 0 456.974 4.565 20 5 JJBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(NC(N)=O)cc1 ZINC001461192661 1067796445 /nfs/dbraw/zinc/79/64/45/1067796445.db2.gz HWEUXDOBJGICHN-LBPRGKRZSA-N 1 0 459.300 4.959 20 5 JJBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC001461268525 1067814770 /nfs/dbraw/zinc/81/47/70/1067814770.db2.gz SESOUYMJRGWPFL-JHZPHERASA-N 1 0 455.374 4.787 20 5 JJBDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461360548 1067838378 /nfs/dbraw/zinc/83/83/78/1067838378.db2.gz WWICNZARKUBLRK-HXUWFJFHSA-N 1 0 458.580 4.717 20 5 JJBDRO CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]CCc3ccc(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001461380148 1067842170 /nfs/dbraw/zinc/84/21/70/1067842170.db2.gz BOIUVFPYULRXKS-UHFFFAOYSA-N 1 0 451.976 4.935 20 5 JJBDRO COc1cc(Br)ccc1CCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001461381341 1067842885 /nfs/dbraw/zinc/84/28/85/1067842885.db2.gz SBWJFOKMJIKMSI-UHFFFAOYSA-N 1 0 458.150 4.851 20 5 JJBDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC001461466985 1067864139 /nfs/dbraw/zinc/86/41/39/1067864139.db2.gz SSRXMEJPDIRMKI-SFHVURJKSA-N 1 0 455.946 4.841 20 5 JJBDRO COc1cc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461483552 1067871646 /nfs/dbraw/zinc/87/16/46/1067871646.db2.gz ZDKPJISDFYYGFF-INIZCTEOSA-N 1 0 453.461 4.551 20 5 JJBDRO CC[C@@]1(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC001461553885 1067887133 /nfs/dbraw/zinc/88/71/33/1067887133.db2.gz WKOGTFHPLKWYPP-NRFANRHFSA-N 1 0 454.445 4.512 20 5 JJBDRO COc1cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461554776 1067887734 /nfs/dbraw/zinc/88/77/34/1067887734.db2.gz UWXRWDZPQISTLG-FQEVSTJZSA-N 1 0 451.498 4.690 20 5 JJBDRO COc1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461586852 1067894941 /nfs/dbraw/zinc/89/49/41/1067894941.db2.gz FOBUCQWPFJECBI-NRFANRHFSA-N 1 0 450.491 4.502 20 5 JJBDRO COc1ccc(C[NH2+][C@H]2CCOc3c(OC)cccc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461607192 1067900418 /nfs/dbraw/zinc/90/04/18/1067900418.db2.gz QHJAAUVMTSKNKA-NRFANRHFSA-N 1 0 450.491 4.804 20 5 JJBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001461750463 1067930270 /nfs/dbraw/zinc/93/02/70/1067930270.db2.gz JPWSTHSPZJSRIZ-OAHLLOKOSA-N 1 0 451.470 4.837 20 5 JJBDRO COC(=O)c1ccc(COc2ccccc2C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001462015105 1067981422 /nfs/dbraw/zinc/98/14/22/1067981422.db2.gz RZUCZLSURSREJS-UHFFFAOYSA-N 1 0 454.910 4.946 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C[C@H]3C[C@@H](C)c4c3cccc4C)cc([N+](=O)[O-])c2)CC1 ZINC001462093330 1068001299 /nfs/dbraw/zinc/00/12/99/1068001299.db2.gz OWTSQGZXAMKHNE-WOJBJXKFSA-N 1 0 450.583 4.689 20 5 JJBDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccc(SC)c2[N+](=O)[O-])cc1 ZINC001462113289 1068006822 /nfs/dbraw/zinc/00/68/22/1068006822.db2.gz YVOAKCIFQCLSKF-XZOQPEGZSA-N 1 0 477.586 4.723 20 5 JJBDRO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC001462175685 1068022447 /nfs/dbraw/zinc/02/24/47/1068022447.db2.gz HBMOHPCTVZTMLY-QGZVFWFLSA-N 1 0 451.445 4.752 20 5 JJBDRO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1 ZINC001462460627 1068079500 /nfs/dbraw/zinc/07/95/00/1068079500.db2.gz YKBKEASLJAUTBD-FQEVSTJZSA-N 1 0 452.477 4.502 20 5 JJBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001463077022 1068279526 /nfs/dbraw/zinc/27/95/26/1068279526.db2.gz VBIOAOSSKWPLRK-FUHWJXTLSA-N 1 0 453.992 4.600 20 5 JJBDRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1Br ZINC001463174846 1068309688 /nfs/dbraw/zinc/30/96/88/1068309688.db2.gz GUPZVSLZMKXNQO-JTHBVZDNSA-N 1 0 480.362 4.755 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC001463918688 1068565706 /nfs/dbraw/zinc/56/57/06/1068565706.db2.gz WYKUUXLVDSZZAG-AUUYWEPGSA-N 1 0 454.354 4.868 20 5 JJBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 ZINC001464149405 1068634362 /nfs/dbraw/zinc/63/43/62/1068634362.db2.gz XFXSEPZVATZCKQ-HNNXBMFYSA-N 1 0 456.593 4.817 20 5 JJBDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)cc2Cl)CC1 ZINC001464472703 1068759384 /nfs/dbraw/zinc/75/93/84/1068759384.db2.gz ZTQQPBAIHBHTGO-UHFFFAOYSA-N 1 0 452.889 4.619 20 5 JJBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001464492593 1068765643 /nfs/dbraw/zinc/76/56/43/1068765643.db2.gz OXBIZXZDEPPXCY-UHFFFAOYSA-N 1 0 456.345 4.954 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)cc1 ZINC001164618319 719049675 /nfs/dbraw/zinc/04/96/75/719049675.db2.gz AMPOTGZBQVOFFJ-OFNKIYASSA-N 1 0 485.922 4.834 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)nn1 ZINC001164628385 719049753 /nfs/dbraw/zinc/04/97/53/719049753.db2.gz YFSKAJZGEBAKMU-XXBNENTESA-N 1 0 485.922 4.834 20 5 JJBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4ccc([N+](=O)[O-])cc42)CC3)cs1 ZINC001164692768 719806433 /nfs/dbraw/zinc/80/64/33/719806433.db2.gz MJZSONUFLHOTAP-UHFFFAOYSA-N 1 0 458.975 4.591 20 5 JJBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164716084 720114548 /nfs/dbraw/zinc/11/45/48/720114548.db2.gz ITXXSHVUWMKZAS-LJQANCHMSA-N 1 0 481.984 4.699 20 5 JJBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC2 ZINC001164715467 720124411 /nfs/dbraw/zinc/12/44/11/720124411.db2.gz FZEJXWSXJZWSBV-LJQANCHMSA-N 1 0 481.984 4.699 20 5 JJBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164710396 720155162 /nfs/dbraw/zinc/15/51/62/720155162.db2.gz AUYPULZSIBIPKJ-HSZRJFAPSA-N 1 0 473.577 4.559 20 5 JJBDRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164747843 720880315 /nfs/dbraw/zinc/88/03/15/720880315.db2.gz BXWKBABYDVAOHD-QDPGVEIFSA-N 1 0 487.604 4.602 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccccc1 ZINC001164747238 720935386 /nfs/dbraw/zinc/93/53/86/720935386.db2.gz CIHFITDWOBXYKQ-ABYGYWHVSA-N 1 0 499.615 4.807 20 5 JJBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907973 721700301 /nfs/dbraw/zinc/70/03/01/721700301.db2.gz XQELULOFNBNGOV-QFIPXVFZSA-N 1 0 473.911 4.929 20 5 JJBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907971 721700728 /nfs/dbraw/zinc/70/07/28/721700728.db2.gz XQELULOFNBNGOV-JOCHJYFZSA-N 1 0 473.911 4.929 20 5 JJBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911841 721737091 /nfs/dbraw/zinc/73/70/91/721737091.db2.gz KXNPSQZMRIMXKO-JOCHJYFZSA-N 1 0 473.911 4.929 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001165023954 721824337 /nfs/dbraw/zinc/82/43/37/721824337.db2.gz IWGIVERAPYDCSF-QGCDCVKKSA-N 1 0 451.958 4.928 20 5 JJBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164940251 721928293 /nfs/dbraw/zinc/92/82/93/721928293.db2.gz UHPOBGDIKSWJTP-UHFFFAOYSA-N 1 0 466.969 4.976 20 5 JJBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)nc(-c5ccc([N+](=O)[O-])cc5)n4)CC3)C2)cc1 ZINC001164939964 721931929 /nfs/dbraw/zinc/93/19/29/721931929.db2.gz PGPQBCLOYPNLKO-UHFFFAOYSA-N 1 0 473.577 4.540 20 5 JJBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)ccc1F ZINC001164996963 722211535 /nfs/dbraw/zinc/21/15/35/722211535.db2.gz PFTFYGIKBRIBOR-DEOSSOPVSA-N 1 0 451.477 4.575 20 5 JJBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)ccc1F ZINC001164996964 722211589 /nfs/dbraw/zinc/21/15/89/722211589.db2.gz PFTFYGIKBRIBOR-XMMPIXPASA-N 1 0 451.477 4.575 20 5 JJBDRO CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001359817325 1064499789 /nfs/dbraw/zinc/49/97/89/1064499789.db2.gz BFZSMPKDRFOMEW-QFIPXVFZSA-N 1 0 498.653 4.797 20 5 JJBDRO C[NH+](C)CCCOc1cccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC001435178623 1064571001 /nfs/dbraw/zinc/57/10/01/1064571001.db2.gz JEPCSSKCIKUVIP-UHFFFAOYSA-N 1 0 457.474 4.675 20 5 JJBDRO C[C@@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001435204580 1064590205 /nfs/dbraw/zinc/59/02/05/1064590205.db2.gz QTWDDFYVBAHUMR-YLJYHZDGSA-N 1 0 450.564 4.843 20 5 JJBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001435303044 1064678568 /nfs/dbraw/zinc/67/85/68/1064678568.db2.gz IFVFOPMONRJMME-HSZRJFAPSA-N 1 0 458.562 4.801 20 5 JJBDRO CC(C)CC[NH+]1CCC(Cn2c(C3CCC3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001359947781 1064697823 /nfs/dbraw/zinc/69/78/23/1064697823.db2.gz DFOCZFBIOPZNCS-UHFFFAOYSA-N 1 0 454.619 4.848 20 5 JJBDRO COc1ccc(CSCC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cc1[N+](=O)[O-] ZINC001435600215 1064864221 /nfs/dbraw/zinc/86/42/21/1064864221.db2.gz OZQQSLCQAPUNQP-UHFFFAOYSA-N 1 0 457.596 4.750 20 5 JJBDRO CC(C)[NH+](CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cccs2)CC1)C(C)C ZINC001360123128 1065013860 /nfs/dbraw/zinc/01/38/60/1065013860.db2.gz CIMCGDHDJCQCKP-UHFFFAOYSA-N 1 0 497.669 4.750 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 ZINC001360138666 1065034600 /nfs/dbraw/zinc/03/46/00/1065034600.db2.gz IWIRPBCZRFGVES-PZJWPPBQSA-N 1 0 454.619 4.846 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001360141269 1065039613 /nfs/dbraw/zinc/03/96/13/1065039613.db2.gz NPLNRKKRZKQHBQ-XMMPIXPASA-N 1 0 491.640 4.708 20 5 JJBDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001360305264 1065139908 /nfs/dbraw/zinc/13/99/08/1065139908.db2.gz LNDPATSQKHJQJM-UHFFFAOYSA-N 1 0 494.543 4.949 20 5 JJBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001436499769 1065335692 /nfs/dbraw/zinc/33/56/92/1065335692.db2.gz LIDMUNWIKWKVCJ-MRXNPFEDSA-N 1 0 453.486 4.615 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360599191 1065620723 /nfs/dbraw/zinc/62/07/23/1065620723.db2.gz LLZQGYVDUZSWLM-ZJSXRUAMSA-N 1 0 484.645 4.965 20 5 JJBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001360735547 1065764140 /nfs/dbraw/zinc/76/41/40/1065764140.db2.gz SRXZECWAXHOSEW-IFMALSPDSA-N 1 0 450.583 4.710 20 5 JJBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(OC)c1 ZINC001440882410 1065988641 /nfs/dbraw/zinc/98/86/41/1065988641.db2.gz RSSXPSJMSPNLCW-NRFANRHFSA-N 1 0 454.552 4.540 20 5 JJBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001442720554 1066155333 /nfs/dbraw/zinc/15/53/33/1066155333.db2.gz IOHQYLKOBRXEMM-UHFFFAOYSA-N 1 0 457.333 4.607 20 5 JJBDRO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2CC2([NH+](C)C)CCC2)o1 ZINC001361191218 1066517271 /nfs/dbraw/zinc/51/72/71/1066517271.db2.gz KSDFVQNHSSQHHK-UHFFFAOYSA-N 1 0 452.559 4.654 20 5 JJBDRO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361191485 1066518002 /nfs/dbraw/zinc/51/80/02/1066518002.db2.gz VDVDVJAGWIHXHO-QHCPKHFHSA-N 1 0 496.612 4.527 20 5 JJBDRO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001361191559 1066518629 /nfs/dbraw/zinc/51/86/29/1066518629.db2.gz YDVZCBUSVDWLDS-HSZRJFAPSA-N 1 0 496.612 4.527 20 5 JJBDRO CC1CCN(c2ccc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1 ZINC001444934380 1066519324 /nfs/dbraw/zinc/51/93/24/1066519324.db2.gz UXXNDXYYVAHGCD-UHFFFAOYSA-N 1 0 450.583 4.568 20 5 JJBDRO Cc1ccc(-c2nnc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001361209314 1066542662 /nfs/dbraw/zinc/54/26/62/1066542662.db2.gz TXQGUCKPWIMLSP-UHFFFAOYSA-N 1 0 496.612 4.921 20 5 JJBDRO CSc1cccc(N(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C2CC[NH+](C)CC2)c1 ZINC001456339584 1066565374 /nfs/dbraw/zinc/56/53/74/1066565374.db2.gz OGRIFPOHYIWXCX-UHFFFAOYSA-N 1 0 451.951 4.779 20 5 JJBDRO CS[C@@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001447106792 1066773714 /nfs/dbraw/zinc/77/37/14/1066773714.db2.gz QWSQMXIHLZXEHJ-FUHWJXTLSA-N 1 0 452.001 4.517 20 5 JJBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001457178883 1066781290 /nfs/dbraw/zinc/78/12/90/1066781290.db2.gz PMJCBFPNNCOZBX-HOYKHHGWSA-N 1 0 457.958 4.530 20 5 JJBDRO CN(CC[N@H+](C)C1CC1)C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001447878736 1066873420 /nfs/dbraw/zinc/87/34/20/1066873420.db2.gz MCUYLNBGDFUBMF-OBGWFSINSA-N 1 0 450.564 4.688 20 5 JJBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001457716865 1066903923 /nfs/dbraw/zinc/90/39/23/1066903923.db2.gz TUBURAPIQAIVFY-UHFFFAOYSA-N 1 0 458.784 4.739 20 5 JJBDRO Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001457749410 1066910664 /nfs/dbraw/zinc/91/06/64/1066910664.db2.gz ZQSVGFBJHJYKQA-UHFFFAOYSA-N 1 0 450.461 4.705 20 5 JJBDRO C[C@H](Nc1ccc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-])c1ccccn1 ZINC001450232967 1067062124 /nfs/dbraw/zinc/06/21/24/1067062124.db2.gz YASYNKNBTRGEMW-SFHVURJKSA-N 1 0 451.571 4.547 20 5 JJBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545804811 1067116908 /nfs/dbraw/zinc/11/69/08/1067116908.db2.gz BTCFYJUALPCYQA-RDPSFJRHSA-N 1 0 484.645 4.617 20 5 JJBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545804812 1067116937 /nfs/dbraw/zinc/11/69/37/1067116937.db2.gz BTCFYJUALPCYQA-YKSBVNFPSA-N 1 0 484.645 4.617 20 5 JJBDRO CCC1(CC)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001546104608 1067190971 /nfs/dbraw/zinc/19/09/71/1067190971.db2.gz CPXGHRKBOXHDKS-UHFFFAOYSA-N 1 0 454.619 4.992 20 5 JJBDRO C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001459723685 1067396064 /nfs/dbraw/zinc/39/60/64/1067396064.db2.gz UQWYRNVENIUFNT-XOBRGWDASA-N 1 0 456.381 4.921 20 5 JJBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001459838869 1067447589 /nfs/dbraw/zinc/44/75/89/1067447589.db2.gz ZPMCOCUSWPRXCW-INIZCTEOSA-N 1 0 450.470 4.584 20 5 JJBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001459852729 1067457141 /nfs/dbraw/zinc/45/71/41/1067457141.db2.gz YNWYKGQUSQWSSP-HXUWFJFHSA-N 1 0 450.297 4.776 20 5 JJBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001459853250 1067457780 /nfs/dbraw/zinc/45/77/80/1067457780.db2.gz NCKUPYXYTRWUMC-HZPDHXFCSA-N 1 0 457.527 4.611 20 5 JJBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)c2cc(F)cc(Br)c2)c([N+](=O)[O-])c1 ZINC001459965782 1067509981 /nfs/dbraw/zinc/50/99/81/1067509981.db2.gz XMQILZONIFNSBE-MRXNPFEDSA-N 1 0 454.296 4.575 20 5 JJBDRO O=C(C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001459997729 1067520329 /nfs/dbraw/zinc/52/03/29/1067520329.db2.gz OIAVMLIUPRYVHM-GOSISDBHSA-N 1 0 456.699 4.829 20 5 JJBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001460032486 1067534983 /nfs/dbraw/zinc/53/49/83/1067534983.db2.gz YFGRAKYYSFOUNQ-UHFFFAOYSA-N 1 0 451.445 4.546 20 5 JJBDRO O=C(CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1)Nc1cccc2ccccc21 ZINC001460101721 1067555256 /nfs/dbraw/zinc/55/52/56/1067555256.db2.gz RJEGCAHGYDYSIM-UHFFFAOYSA-N 1 0 454.324 4.897 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC001461098795 1067781655 /nfs/dbraw/zinc/78/16/55/1067781655.db2.gz ZAZOSSOVEDQYGE-HNNXBMFYSA-N 1 0 452.454 4.872 20 5 JJBDRO COc1cc(C[NH2+]CCc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461106890 1067783054 /nfs/dbraw/zinc/78/30/54/1067783054.db2.gz QNVLQTCWWGRXIB-UHFFFAOYSA-N 1 0 452.351 4.896 20 5 JJBDRO CC(C)COc1ccc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC001461174478 1067793003 /nfs/dbraw/zinc/79/30/03/1067793003.db2.gz SPDSJYUHBXSFLW-UHFFFAOYSA-N 1 0 454.308 4.567 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCOc2ccc(F)c(F)c2)cc1 ZINC001461190518 1067795983 /nfs/dbraw/zinc/79/59/83/1067795983.db2.gz PQNCGQBTUAYTAW-UHFFFAOYSA-N 1 0 450.445 4.894 20 5 JJBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461233469 1067805714 /nfs/dbraw/zinc/80/57/14/1067805714.db2.gz MPPCHIYBAOHLGK-MZNJEOGPSA-N 1 0 455.942 4.887 20 5 JJBDRO CN1CC[C@@H](C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001461406573 1067848272 /nfs/dbraw/zinc/84/82/72/1067848272.db2.gz MVKMFQLQZLXRLG-ORAYPTAESA-N 1 0 456.743 4.932 20 5 JJBDRO COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461554777 1067887618 /nfs/dbraw/zinc/88/76/18/1067887618.db2.gz UWXRWDZPQISTLG-HXUWFJFHSA-N 1 0 451.498 4.690 20 5 JJBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC001461582710 1067894008 /nfs/dbraw/zinc/89/40/08/1067894008.db2.gz RPPWSSXQHLLTDR-QFIPXVFZSA-N 1 0 456.340 4.948 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cnc(C(F)(F)F)nc2)cc1 ZINC001461633693 1067906148 /nfs/dbraw/zinc/90/61/48/1067906148.db2.gz QMRJEFCZABLEMB-UHFFFAOYSA-N 1 0 454.412 4.546 20 5 JJBDRO COc1cccc([C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)OC)c1 ZINC001461656796 1067911321 /nfs/dbraw/zinc/91/13/21/1067911321.db2.gz BUZQIIOKNNKYAC-VWLOTQADSA-N 1 0 458.518 4.933 20 5 JJBDRO CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001461753809 1067930629 /nfs/dbraw/zinc/93/06/29/1067930629.db2.gz VADFJQFMMHUIJW-UHFFFAOYSA-N 1 0 459.977 4.511 20 5 JJBDRO Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(-c2ccnn2C)c1 ZINC001462002225 1067978088 /nfs/dbraw/zinc/97/80/88/1067978088.db2.gz PNKHPOHBYRRQKX-UHFFFAOYSA-N 1 0 459.472 4.645 20 5 JJBDRO Cc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1I ZINC001462160950 1068019109 /nfs/dbraw/zinc/01/91/09/1068019109.db2.gz FCXILPDGPFWYEB-UHFFFAOYSA-N 1 0 450.198 4.816 20 5 JJBDRO COC(=O)c1cc2cccc(NCC3CC[NH+](CCc4ccc([N+](=O)[O-])cc4)CC3)c2s1 ZINC001462281564 1068043636 /nfs/dbraw/zinc/04/36/36/1068043636.db2.gz SPQDJJBGANAFEC-UHFFFAOYSA-N 1 0 453.564 4.963 20 5 JJBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC001462411181 1068068847 /nfs/dbraw/zinc/06/88/47/1068068847.db2.gz DOVCTTNHSPJHGF-KZULUSFZSA-N 1 0 450.358 4.652 20 5 JJBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001462579664 1068104032 /nfs/dbraw/zinc/10/40/32/1068104032.db2.gz VKILWWXRAXDCKL-QXAKKESOSA-N 1 0 453.530 4.788 20 5 JJBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cc1ccccc1 ZINC001463768307 1068518014 /nfs/dbraw/zinc/51/80/14/1068518014.db2.gz HJFXCDOVSWIWLA-FQEVSTJZSA-N 1 0 453.926 4.943 20 5 JJBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 ZINC001464030053 1068593520 /nfs/dbraw/zinc/59/35/20/1068593520.db2.gz NVDVRTMQCLNODO-UHFFFAOYSA-N 1 0 450.564 4.880 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001464140205 1068631941 /nfs/dbraw/zinc/63/19/41/1068631941.db2.gz NNTPSVJDIMOALU-IEGUWTFLSA-N 1 0 458.628 4.952 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164626516 719049718 /nfs/dbraw/zinc/04/97/18/719049718.db2.gz SELUBXNTWXQDAM-NZQKXSOJSA-N 1 0 485.922 4.834 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164626518 719049863 /nfs/dbraw/zinc/04/98/63/719049863.db2.gz SELUBXNTWXQDAM-OFNKIYASSA-N 1 0 485.922 4.834 20 5 JJBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc21 ZINC001164696605 719894078 /nfs/dbraw/zinc/89/40/78/719894078.db2.gz GFQBINMIRWMTMH-UHFFFAOYSA-N 1 0 458.971 4.729 20 5 JJBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164711128 720106725 /nfs/dbraw/zinc/10/67/25/720106725.db2.gz ORCMXHVHIDIRPA-DEOSSOPVSA-N 1 0 453.590 4.686 20 5 JJBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164712293 720155753 /nfs/dbraw/zinc/15/57/53/720155753.db2.gz FFGAYLRMAWEVCU-HXUWFJFHSA-N 1 0 481.984 4.699 20 5 JJBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164712913 720155996 /nfs/dbraw/zinc/15/59/96/720155996.db2.gz IFPLGRXRCDXPBT-QHCPKHFHSA-N 1 0 491.567 4.698 20 5 JJBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)C2 ZINC001164819100 720170893 /nfs/dbraw/zinc/17/08/93/720170893.db2.gz WAPRGAJHSCCHSI-RXFWQSSRSA-N 1 0 493.633 4.760 20 5 JJBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164836934 720722165 /nfs/dbraw/zinc/72/21/65/720722165.db2.gz BXUZYFCRTAMBKU-OAQYLSRUSA-N 1 0 493.995 4.965 20 5 JJBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164910651 721725735 /nfs/dbraw/zinc/72/57/35/721725735.db2.gz HMKMDSMLMPJVPL-JOCHJYFZSA-N 1 0 473.911 4.929 20 5 JJBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164910652 721726072 /nfs/dbraw/zinc/72/60/72/721726072.db2.gz HMKMDSMLMPJVPL-QFIPXVFZSA-N 1 0 473.911 4.929 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165021643 721809580 /nfs/dbraw/zinc/80/95/80/721809580.db2.gz FNHBKHSQTMXTRH-LDQXTDLNSA-N 1 0 451.958 4.928 20 5 JJBDRO CC(C)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359738923 1064304356 /nfs/dbraw/zinc/30/43/56/1064304356.db2.gz HLHBHLBVMOPMEM-GMAHTHKFSA-N 1 0 454.619 4.846 20 5 JJBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001435204782 1064590801 /nfs/dbraw/zinc/59/08/01/1064590801.db2.gz AKMQQFMRKZVPRG-OAQYLSRUSA-N 1 0 450.583 4.568 20 5 JJBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2F)CC1 ZINC001359906462 1064621464 /nfs/dbraw/zinc/62/14/64/1064621464.db2.gz CXIRRNUWJVZKMU-UHFFFAOYSA-N 1 0 454.424 4.535 20 5 JJBDRO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359933580 1064675496 /nfs/dbraw/zinc/67/54/96/1064675496.db2.gz UEHGQIOSLVBOOC-NHCUHLMSSA-N 1 0 454.619 4.990 20 5 JJBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435339072 1064709284 /nfs/dbraw/zinc/70/92/84/1064709284.db2.gz KKQICNZWFXAQFQ-CJFMBICVSA-N 1 0 459.546 4.814 20 5 JJBDRO COc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC001360028476 1064829965 /nfs/dbraw/zinc/82/99/65/1064829965.db2.gz IYCXJLYBSBSQNJ-UHFFFAOYSA-N 1 0 452.338 4.648 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001360116030 1064999445 /nfs/dbraw/zinc/99/94/45/1064999445.db2.gz RPXLRLONXXOILV-FQEVSTJZSA-N 1 0 454.575 4.795 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(C)(C)C)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001360117143 1065002265 /nfs/dbraw/zinc/00/22/65/1065002265.db2.gz YMNFHJCQQUMAIX-HXUWFJFHSA-N 1 0 454.619 4.674 20 5 JJBDRO CC(C)[NH+](CCCn1c(C2CCCC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC001360125269 1065017174 /nfs/dbraw/zinc/01/71/74/1065017174.db2.gz DZJGVXDJIHRJAR-UHFFFAOYSA-N 1 0 483.661 4.679 20 5 JJBDRO CC(C)([C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001435854132 1065025593 /nfs/dbraw/zinc/02/55/93/1065025593.db2.gz DKHWXEGGCQOXMW-QHCPKHFHSA-N 1 0 456.493 4.629 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360138661 1065034006 /nfs/dbraw/zinc/03/40/06/1065034006.db2.gz IWIRPBCZRFGVES-CTNGQTDRSA-N 1 0 454.619 4.846 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccncc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001360141267 1065039777 /nfs/dbraw/zinc/03/97/77/1065039777.db2.gz NPLNRKKRZKQHBQ-DEOSSOPVSA-N 1 0 491.640 4.708 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001360141671 1065041158 /nfs/dbraw/zinc/04/11/58/1065041158.db2.gz RHJSNXOHHGMFRH-BGWNEDDSSA-N 1 0 498.672 4.862 20 5 JJBDRO CSc1cccc(N(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C2CC[NH+](C)CC2)c1 ZINC001360408577 1065271987 /nfs/dbraw/zinc/27/19/87/1065271987.db2.gz OPSQJSPHMOOUMG-UHFFFAOYSA-N 1 0 450.564 4.793 20 5 JJBDRO CC1(C)CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436335769 1065297513 /nfs/dbraw/zinc/29/75/13/1065297513.db2.gz HVJZUPXDLATJDG-QFIPXVFZSA-N 1 0 457.521 4.836 20 5 JJBDRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1Br ZINC001436499809 1065335714 /nfs/dbraw/zinc/33/57/14/1065335714.db2.gz MTOQAINUZPGONF-AYHJJNSGSA-N 1 0 458.356 4.673 20 5 JJBDRO C[C@@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCCC1 ZINC001360453934 1065349187 /nfs/dbraw/zinc/34/91/87/1065349187.db2.gz BBLFQEDYZJQFFL-SFHVURJKSA-N 1 0 452.559 4.908 20 5 JJBDRO CC1CCN(c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC001360464694 1065374045 /nfs/dbraw/zinc/37/40/45/1065374045.db2.gz FIDBAYQWWKRBDM-NRFANRHFSA-N 1 0 450.583 4.568 20 5 JJBDRO CC[NH+](CC)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001437467963 1065556428 /nfs/dbraw/zinc/55/64/28/1065556428.db2.gz KJBZULHMUNTHAU-UHFFFAOYSA-N 1 0 454.752 4.999 20 5 JJBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cccc(-c4c(F)cccc4F)c3)c2)CC1 ZINC001439680446 1065856407 /nfs/dbraw/zinc/85/64/07/1065856407.db2.gz RXIHCQQHXHTDNQ-UHFFFAOYSA-N 1 0 452.461 4.544 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(OC)c1 ZINC001440882416 1065988717 /nfs/dbraw/zinc/98/87/17/1065988717.db2.gz RSSXPSJMSPNLCW-OAQYLSRUSA-N 1 0 454.552 4.540 20 5 JJBDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ccc(C(F)(F)F)cc1 ZINC001442306690 1066115270 /nfs/dbraw/zinc/11/52/70/1066115270.db2.gz NSCHUROMCGSABU-FQEVSTJZSA-N 1 0 453.461 4.500 20 5 JJBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC001443427542 1066309896 /nfs/dbraw/zinc/30/98/96/1066309896.db2.gz KYVZDWKTRRQGPQ-UHFFFAOYSA-N 1 0 452.942 4.852 20 5 JJBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001456301792 1066558565 /nfs/dbraw/zinc/55/85/65/1066558565.db2.gz HMKREHFMIHGHHW-UHFFFAOYSA-N 1 0 451.658 4.969 20 5 JJBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001445567098 1066588966 /nfs/dbraw/zinc/58/89/66/1066588966.db2.gz LGKQRXVGTMQYQN-MRXNPFEDSA-N 1 0 457.493 4.653 20 5 JJBDRO Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361250517 1066597281 /nfs/dbraw/zinc/59/72/81/1066597281.db2.gz YOBYOOZQHVMEAW-HDICACEKSA-N 1 0 498.653 4.747 20 5 JJBDRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001456922936 1066722875 /nfs/dbraw/zinc/72/28/75/1066722875.db2.gz CHHXMPZGCSMZOI-PXDATVDWSA-N 1 0 451.567 4.513 20 5 JJBDRO Cc1csc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001492646205 1066749538 /nfs/dbraw/zinc/74/95/38/1066749538.db2.gz YYVHHKXQAGAABJ-LJQANCHMSA-N 1 0 468.627 4.980 20 5 JJBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001457178885 1066781215 /nfs/dbraw/zinc/78/12/15/1066781215.db2.gz PMJCBFPNNCOZBX-MHECFPHRSA-N 1 0 457.958 4.530 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001457466552 1066836819 /nfs/dbraw/zinc/83/68/19/1066836819.db2.gz UIDDEWIZJQPXIM-QGZVFWFLSA-N 1 0 454.752 4.824 20 5 JJBDRO C[C@]12CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001457985701 1066952462 /nfs/dbraw/zinc/95/24/62/1066952462.db2.gz SXUWFKRRZYROQA-VFNWGFHPSA-N 1 0 478.774 4.605 20 5 JJBDRO CC[NH+]1CCN(c2ccc(Nc3cc(C(F)(F)C(F)(F)F)ncc3[N+](=O)[O-])c(C)c2)CC1 ZINC001458053837 1066962062 /nfs/dbraw/zinc/96/20/62/1066962062.db2.gz MJEABHNKNIYKHQ-UHFFFAOYSA-N 1 0 459.419 4.838 20 5 JJBDRO COc1cc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC001458116180 1066980416 /nfs/dbraw/zinc/98/04/16/1066980416.db2.gz CFOFBZMXVZVQOW-UHFFFAOYSA-N 1 0 453.930 4.718 20 5 JJBDRO CC[NH+](CC)CCN(C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001458347763 1067038166 /nfs/dbraw/zinc/03/81/66/1067038166.db2.gz JRYJZQXBLZPUQP-UHFFFAOYSA-N 1 0 457.424 4.750 20 5 JJBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001545804810 1067116895 /nfs/dbraw/zinc/11/68/95/1067116895.db2.gz BTCFYJUALPCYQA-HYBUGGRVSA-N 1 0 484.645 4.617 20 5 JJBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001452574426 1067235568 /nfs/dbraw/zinc/23/55/68/1067235568.db2.gz RMTUJKCGFMMKGP-GASCZTMLSA-N 1 0 456.593 4.910 20 5 JJBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC001459254055 1067278141 /nfs/dbraw/zinc/27/81/41/1067278141.db2.gz FHUGLARJMBJXSA-FOIQADDNSA-N 1 0 456.593 4.932 20 5 JJBDRO Cc1cnn(CCCCC[NH+]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)c1 ZINC001459312960 1067290948 /nfs/dbraw/zinc/29/09/48/1067290948.db2.gz MBGIJHYOLQBKOC-UHFFFAOYSA-N 1 0 453.612 4.816 20 5 JJBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001459326280 1067296038 /nfs/dbraw/zinc/29/60/38/1067296038.db2.gz MEZNJFCYOHHRPP-QHCPKHFHSA-N 1 0 452.599 4.718 20 5 JJBDRO CC1CCC([N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)Cc2ccc3c(c2)OCO3)CC1 ZINC001459423625 1067321814 /nfs/dbraw/zinc/32/18/14/1067321814.db2.gz DVPFLCFHXBQPBP-UHFFFAOYSA-N 1 0 459.930 4.996 20 5 JJBDRO CC(C)(C)OC(=O)c1ccccc1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001459980966 1067514341 /nfs/dbraw/zinc/51/43/41/1067514341.db2.gz YFMINZPSCFBDSI-UHFFFAOYSA-N 1 0 453.539 4.758 20 5 JJBDRO CC(C)C[C@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001460053603 1067540324 /nfs/dbraw/zinc/54/03/24/1067540324.db2.gz HIDGRXGFBDSQNA-NQIIRXRSSA-N 1 0 451.361 4.648 20 5 JJBDRO CC1(C)CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460231672 1067585421 /nfs/dbraw/zinc/58/54/21/1067585421.db2.gz RVWQYSRXROQIPV-VWLOTQADSA-N 1 0 451.567 4.513 20 5 JJBDRO CC(C)(C)OC(=O)N1c2ccccc2[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001460683624 1067700644 /nfs/dbraw/zinc/70/06/44/1067700644.db2.gz MVGVSSNHDZNTNC-OAQYLSRUSA-N 1 0 454.527 4.788 20 5 JJBDRO CC(C)(C)OC(=O)N1c2ccccc2[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001460683623 1067700680 /nfs/dbraw/zinc/70/06/80/1067700680.db2.gz MVGVSSNHDZNTNC-NRFANRHFSA-N 1 0 454.527 4.788 20 5 JJBDRO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC001460868196 1067738462 /nfs/dbraw/zinc/73/84/62/1067738462.db2.gz DEDAILBPOANLEQ-JOCHJYFZSA-N 1 0 458.502 4.581 20 5 JJBDRO C[C@@]1(Cc2ccc(I)cc2)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001460873401 1067739610 /nfs/dbraw/zinc/73/96/10/1067739610.db2.gz WXKLKRSOBKSQHT-IBGZPJMESA-N 1 0 454.283 4.936 20 5 JJBDRO C[NH+]1CCN(CCOc2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)CC1 ZINC001461245863 1067808860 /nfs/dbraw/zinc/80/88/60/1067808860.db2.gz CDECVGFXEJEYIU-UHFFFAOYSA-N 1 0 452.580 4.562 20 5 JJBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1Cc1ccccc1C(F)(F)F ZINC001461406159 1067847782 /nfs/dbraw/zinc/84/77/82/1067847782.db2.gz FLCINNUPOTWAGR-QGZVFWFLSA-N 1 0 459.424 4.764 20 5 JJBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1 ZINC001461446618 1067858689 /nfs/dbraw/zinc/85/86/89/1067858689.db2.gz FARWKOIKBJCCIB-UHFFFAOYSA-N 1 0 454.914 4.562 20 5 JJBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461616584 1067902516 /nfs/dbraw/zinc/90/25/16/1067902516.db2.gz QZZRKEPJAHPJGV-UXHICEINSA-N 1 0 456.539 4.782 20 5 JJBDRO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001461869469 1067950913 /nfs/dbraw/zinc/95/09/13/1067950913.db2.gz JKZOURVFVRRASR-QGZVFWFLSA-N 1 0 454.962 4.813 20 5 JJBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC001462411179 1068068555 /nfs/dbraw/zinc/06/85/55/1068068555.db2.gz DOVCTTNHSPJHGF-KPZWWZAWSA-N 1 0 450.358 4.652 20 5 JJBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001463077016 1068279521 /nfs/dbraw/zinc/27/95/21/1068279521.db2.gz VBIOAOSSKWPLRK-AEFFLSMTSA-N 1 0 453.992 4.600 20 5 JJBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC2)CC1 ZINC001164617986 719027577 /nfs/dbraw/zinc/02/75/77/719027577.db2.gz UBICYIWHTDWGOK-UHFFFAOYSA-N 1 0 452.986 4.680 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)cc1 ZINC001164618320 719049545 /nfs/dbraw/zinc/04/95/45/719049545.db2.gz AMPOTGZBQVOFFJ-REWPJTCUSA-N 1 0 485.922 4.834 20 5 JJBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)C2 ZINC001164819093 720170618 /nfs/dbraw/zinc/17/06/18/720170618.db2.gz WAPRGAJHSCCHSI-FNZWTVRRSA-N 1 0 493.633 4.760 20 5 JJBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164838348 720726214 /nfs/dbraw/zinc/72/62/14/720726214.db2.gz IDQCMCXSGLXYHH-QHCPKHFHSA-N 1 0 458.562 4.917 20 5 JJBDRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164755510 720880334 /nfs/dbraw/zinc/88/03/34/720880334.db2.gz YBHXRUQTWDWPDU-YZNIXAGQSA-N 1 0 479.628 4.933 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccccc1 ZINC001164747245 720935442 /nfs/dbraw/zinc/93/54/42/720935442.db2.gz CIHFITDWOBXYKQ-VAVYLYDRSA-N 1 0 499.615 4.807 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164783463 721454845 /nfs/dbraw/zinc/45/48/45/721454845.db2.gz BUZSDRDHGDLFPD-XMMPIXPASA-N 1 0 460.622 4.517 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001165030524 721828547 /nfs/dbraw/zinc/82/85/47/721828547.db2.gz ZQUAEENBKCHRQI-GREBRCKQSA-N 1 0 478.984 4.837 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC001165029000 721830944 /nfs/dbraw/zinc/83/09/44/721830944.db2.gz WGYUDSVJHLQVQV-AJSBUHFISA-N 1 0 461.541 4.928 20 5 JJBDRO CCc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164955619 722023042 /nfs/dbraw/zinc/02/30/42/722023042.db2.gz KLMDMIFVUHKZNL-UHFFFAOYSA-N 1 0 458.566 4.502 20 5 JJBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)ccc1Cl ZINC001164957373 722023717 /nfs/dbraw/zinc/02/37/17/722023717.db2.gz BDSHZIOTSNANTE-UHFFFAOYSA-N 1 0 464.957 4.593 20 5 JJBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001434884657 1064316689 /nfs/dbraw/zinc/31/66/89/1064316689.db2.gz JHABLKVQXGTNME-PBHICJAKSA-N 1 0 453.486 4.657 20 5 JJBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001359766811 1064394333 /nfs/dbraw/zinc/39/43/33/1064394333.db2.gz USTDTMQHOYUQBJ-RTWAWAEBSA-N 1 0 452.559 4.764 20 5 JJBDRO CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001359785989 1064439719 /nfs/dbraw/zinc/43/97/19/1064439719.db2.gz IBHZGAXFTWVBHU-UHFFFAOYSA-N 1 0 454.619 4.676 20 5 JJBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001435063955 1064482605 /nfs/dbraw/zinc/48/26/05/1064482605.db2.gz MUMQMBWIKKOMON-IBGZPJMESA-N 1 0 451.489 4.773 20 5 JJBDRO CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001359817752 1064500409 /nfs/dbraw/zinc/50/04/09/1064500409.db2.gz JRDUEFABAKFPTN-NRFANRHFSA-N 1 0 484.645 4.553 20 5 JJBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001435137647 1064539872 /nfs/dbraw/zinc/53/98/72/1064539872.db2.gz KWXOKTKDHOKWIP-UHFFFAOYSA-N 1 0 455.580 4.869 20 5 JJBDRO Nc1c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc2ccccc2c1[N+](=O)[O-] ZINC001359858748 1064545751 /nfs/dbraw/zinc/54/57/51/1064545751.db2.gz QNHDUDXJOMVAQS-UHFFFAOYSA-N 1 0 452.942 4.722 20 5 JJBDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001359947856 1064698597 /nfs/dbraw/zinc/69/85/97/1064698597.db2.gz PYQVFRVPLJGBDJ-HXUWFJFHSA-N 1 0 484.645 4.615 20 5 JJBDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)CC1 ZINC001360092610 1064962766 /nfs/dbraw/zinc/96/27/66/1064962766.db2.gz MBZSSDDUXUAYST-UHFFFAOYSA-N 1 0 484.004 4.507 20 5 JJBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001435774699 1064986894 /nfs/dbraw/zinc/98/68/94/1064986894.db2.gz KIHAOTYNKVCGJS-UHFFFAOYSA-N 1 0 459.999 4.855 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001360115877 1064998576 /nfs/dbraw/zinc/99/85/76/1064998576.db2.gz MTUBXHKHXQUOOP-QHCPKHFHSA-N 1 0 493.637 4.971 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001360116039 1064999695 /nfs/dbraw/zinc/99/96/95/1064999695.db2.gz RVZZFASKXWTHMJ-QFIPXVFZSA-N 1 0 470.618 4.717 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001360116257 1065000063 /nfs/dbraw/zinc/00/00/63/1065000063.db2.gz ZCJAKQTWEKXHLE-UHFFFAOYSA-N 1 0 479.629 4.871 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccsc2)n1CC[NH+]1CCCCC1 ZINC001360116744 1065001805 /nfs/dbraw/zinc/00/18/05/1065001805.db2.gz ORSLCBHCJJGQAJ-UHFFFAOYSA-N 1 0 468.627 4.740 20 5 JJBDRO CCC[N@H+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC001436197635 1065245686 /nfs/dbraw/zinc/24/56/86/1065245686.db2.gz LALYBBYVHFOKHV-GOSISDBHSA-N 1 0 454.752 4.824 20 5 JJBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001360464619 1065373651 /nfs/dbraw/zinc/37/36/51/1065373651.db2.gz DCCYMOBWXHDXCD-OAQYLSRUSA-N 1 0 458.562 4.944 20 5 JJBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001360464618 1065373692 /nfs/dbraw/zinc/37/36/92/1065373692.db2.gz DCCYMOBWXHDXCD-NRFANRHFSA-N 1 0 458.562 4.944 20 5 JJBDRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC001436630803 1065408136 /nfs/dbraw/zinc/40/81/36/1065408136.db2.gz DWVDBKAWAMRMLE-JTHBVZDNSA-N 1 0 453.901 4.785 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3sccc3-c3ccccc3)cc([N+](=O)[O-])c2)CC1 ZINC001438314525 1065707557 /nfs/dbraw/zinc/70/75/57/1065707557.db2.gz HAFWZUCFTSULIV-UHFFFAOYSA-N 1 0 450.564 4.742 20 5 JJBDRO CC[NH+](CC)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC001440090027 1065910542 /nfs/dbraw/zinc/91/05/42/1065910542.db2.gz FVAOJWYLQCOVPP-UHFFFAOYSA-N 1 0 454.571 4.804 20 5 JJBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC001441624198 1066055446 /nfs/dbraw/zinc/05/54/46/1066055446.db2.gz OYVFUQWDNWBHDH-PMACEKPBSA-N 1 0 452.599 4.849 20 5 JJBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001442020116 1066085851 /nfs/dbraw/zinc/08/58/51/1066085851.db2.gz UPDLLBCTUFIWRP-UHFFFAOYSA-N 1 0 450.583 4.935 20 5 JJBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001442308990 1066115842 /nfs/dbraw/zinc/11/58/42/1066115842.db2.gz QSNVJBFMMKRJLU-SFHVURJKSA-N 1 0 457.424 4.574 20 5 JJBDRO C[N@H+](CCN(Cc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC001361013268 1066198910 /nfs/dbraw/zinc/19/89/10/1066198910.db2.gz GQOSHIFUQBAKSH-UHFFFAOYSA-N 1 0 451.954 4.952 20 5 JJBDRO Cc1ccc([C@H](CNC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC001442871189 1066235263 /nfs/dbraw/zinc/23/52/63/1066235263.db2.gz IBLDGSYASQRMIV-BSRJHKFKSA-N 1 0 454.571 4.545 20 5 JJBDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001454163604 1066250671 /nfs/dbraw/zinc/25/06/71/1066250671.db2.gz DJZRRBBGTZXWSU-SFTDATJTSA-N 1 0 459.930 4.652 20 5 JJBDRO CC[NH+](CC)C[C@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001443445495 1066311778 /nfs/dbraw/zinc/31/17/78/1066311778.db2.gz YLTWZVFVJUMKOY-FJSNCCPHSA-N 1 0 452.580 4.982 20 5 JJBDRO CC[NH+](CC)C[C@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001443445502 1066312115 /nfs/dbraw/zinc/31/21/15/1066312115.db2.gz YLTWZVFVJUMKOY-WFVLPUPGSA-N 1 0 452.580 4.982 20 5 JJBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001361165742 1066477080 /nfs/dbraw/zinc/47/70/80/1066477080.db2.gz OFTCXDLKGDKALG-QHCPKHFHSA-N 1 0 459.546 4.768 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)o1 ZINC001361187629 1066512503 /nfs/dbraw/zinc/51/25/03/1066512503.db2.gz YYNJQDALPJRAGD-LJQANCHMSA-N 1 0 466.586 4.554 20 5 JJBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001456401118 1066578739 /nfs/dbraw/zinc/57/87/39/1066578739.db2.gz MFJTVWQJPPZHSY-VQTJNVASSA-N 1 0 451.910 4.773 20 5 JJBDRO Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC001361250519 1066597420 /nfs/dbraw/zinc/59/74/20/1066597420.db2.gz YOBYOOZQHVMEAW-ROUUACIJSA-N 1 0 498.653 4.747 20 5 JJBDRO C[C@@H]1[C@H](C)N(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@H+]1C ZINC001446965877 1066759756 /nfs/dbraw/zinc/75/97/56/1066759756.db2.gz IYDJVDQUSVXEFI-RNGVDHTISA-N 1 0 450.564 4.686 20 5 JJBDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001457505380 1066845418 /nfs/dbraw/zinc/84/54/18/1066845418.db2.gz WRPVIQRGXNEOLX-UHFFFAOYSA-N 1 0 456.502 4.507 20 5 JJBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457540151 1066855703 /nfs/dbraw/zinc/85/57/03/1066855703.db2.gz SAPXWQXCTUTXAI-DEOSSOPVSA-N 1 0 458.562 4.944 20 5 JJBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC001457772764 1066915725 /nfs/dbraw/zinc/91/57/25/1066915725.db2.gz GSZKEDWZUAWLGF-SFTDATJTSA-N 1 0 456.631 4.853 20 5 JJBDRO CCC[NH+]1CCN(c2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])cc2Cl)CC1 ZINC001458134751 1066985156 /nfs/dbraw/zinc/98/51/56/1066985156.db2.gz HRLOYFQHSLBGLF-UHFFFAOYSA-N 1 0 454.756 4.681 20 5 JJBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC001449331837 1067000939 /nfs/dbraw/zinc/00/09/39/1067000939.db2.gz LXTYMOLLILNSEV-UHFFFAOYSA-N 1 0 451.910 4.997 20 5 JJBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC001458191373 1067001132 /nfs/dbraw/zinc/00/11/32/1067001132.db2.gz BPEMBHMSGZDXNA-QGZVFWFLSA-N 1 0 451.445 4.785 20 5 JJBDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1Br ZINC001458237573 1067009767 /nfs/dbraw/zinc/00/97/67/1067009767.db2.gz BEXCLYJNFOCEEA-UHFFFAOYSA-N 1 0 457.166 4.688 20 5 JJBDRO CC1(C)CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001449934632 1067037625 /nfs/dbraw/zinc/03/76/25/1067037625.db2.gz DMXSQMNUJYRYOK-JOCHJYFZSA-N 1 0 456.974 4.593 20 5 JJBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001458372266 1067044768 /nfs/dbraw/zinc/04/47/68/1067044768.db2.gz OHWXXBYLZFNVRR-UHFFFAOYSA-N 1 0 456.896 4.521 20 5 JJBDRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001545819470 1067154686 /nfs/dbraw/zinc/15/46/86/1067154686.db2.gz GKODRDWRSRNBIK-QHCPKHFHSA-N 1 0 482.654 4.768 20 5 JJBDRO CC(C)([C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458834832 1067162916 /nfs/dbraw/zinc/16/29/16/1067162916.db2.gz HDAFIZGCNXOLNY-NRFANRHFSA-N 1 0 451.901 4.801 20 5 JJBDRO CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)on1 ZINC001545823280 1067165504 /nfs/dbraw/zinc/16/55/04/1067165504.db2.gz HNPFMCKSYUPSCT-MSOLQXFVSA-N 1 0 481.601 4.712 20 5 JJBDRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001452106329 1067207589 /nfs/dbraw/zinc/20/75/89/1067207589.db2.gz QWGIFHRJQCAREV-UHFFFAOYSA-N 1 0 451.552 4.815 20 5 JJBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC001459254086 1067278218 /nfs/dbraw/zinc/27/82/18/1067278218.db2.gz FHUGLARJMBJXSA-YWZLYKJASA-N 1 0 456.593 4.932 20 5 JJBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001459516016 1067342995 /nfs/dbraw/zinc/34/29/95/1067342995.db2.gz ZFPYOOOZMGRCTP-MBSDFSHPSA-N 1 0 456.974 4.736 20 5 JJBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001459848293 1067453610 /nfs/dbraw/zinc/45/36/10/1067453610.db2.gz HFDNSEDKMXWLCM-DHIUTWEWSA-N 1 0 451.523 4.637 20 5 JJBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC001459871208 1067467246 /nfs/dbraw/zinc/46/72/46/1067467246.db2.gz QGQKNKWMWYWQOH-JOCHJYFZSA-N 1 0 455.555 4.780 20 5 JJBDRO O=C(C[NH2+][C@H](CC1CCCCC1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001459878522 1067470350 /nfs/dbraw/zinc/47/03/50/1067470350.db2.gz SBXUGDFLJTYJMJ-RUZDIDTESA-N 1 0 450.583 4.545 20 5 JJBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC001459911469 1067486313 /nfs/dbraw/zinc/48/63/13/1067486313.db2.gz VHHOTOKARGGTPD-IBGZPJMESA-N 1 0 450.308 4.971 20 5 JJBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)cc(Br)c1 ZINC001459964821 1067509600 /nfs/dbraw/zinc/50/96/00/1067509600.db2.gz UHKGGBKMNAGFAC-BZNIZROVSA-N 1 0 454.296 4.573 20 5 JJBDRO CCOc1cc(C[NH+]2CCC([C@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)ccc1[N+](=O)[O-] ZINC001460685375 1067701524 /nfs/dbraw/zinc/70/15/24/1067701524.db2.gz QCVJDFIZWGYJBH-JOCHJYFZSA-N 1 0 459.587 4.995 20 5 JJBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001460817509 1067729091 /nfs/dbraw/zinc/72/90/91/1067729091.db2.gz PFQFDKKFGLKYOD-HNNXBMFYSA-N 1 0 451.445 4.617 20 5 JJBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001461041036 1067767995 /nfs/dbraw/zinc/76/79/95/1067767995.db2.gz FXTYGRFGQHJYDK-OAHLLOKOSA-N 1 0 453.486 4.931 20 5 JJBDRO Cc1c(Br)cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC001461065944 1067774658 /nfs/dbraw/zinc/77/46/58/1067774658.db2.gz WSLBNKXEDGOWKH-UHFFFAOYSA-N 1 0 453.362 4.531 20 5 JJBDRO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 ZINC001461193650 1067796729 /nfs/dbraw/zinc/79/67/29/1067796729.db2.gz YAJRSUSXSPGDHX-HSZRJFAPSA-N 1 0 454.548 4.895 20 5 JJBDRO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1 ZINC001461193652 1067796847 /nfs/dbraw/zinc/79/68/47/1067796847.db2.gz YAJRSUSXSPGDHX-QHCPKHFHSA-N 1 0 454.548 4.895 20 5 JJBDRO COc1ccc(-c2ccc(CNc3cccc(C[NH+]4CCC(CO)CC4)c3)o2)c([N+](=O)[O-])c1 ZINC001461286676 1067818637 /nfs/dbraw/zinc/81/86/37/1067818637.db2.gz MZPXADFFRAYMEU-UHFFFAOYSA-N 1 0 451.523 4.680 20 5 JJBDRO O=C1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1c1ccccc1 ZINC001461442211 1067857195 /nfs/dbraw/zinc/85/71/95/1067857195.db2.gz OOWCKMKPHKFTAT-CQSZACIVSA-N 1 0 456.296 4.512 20 5 JJBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC001461458869 1067861859 /nfs/dbraw/zinc/86/18/59/1067861859.db2.gz ANZITCIDSISABW-UHFFFAOYSA-N 1 0 458.465 4.605 20 5 JJBDRO O=[N+]([O-])c1sc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1Br ZINC001461853640 1067947378 /nfs/dbraw/zinc/94/73/78/1067947378.db2.gz YQGRFVPLHRWSBD-FQEVSTJZSA-N 1 0 450.402 4.907 20 5 JJBDRO O=[N+]([O-])c1sc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1Br ZINC001461853643 1067947414 /nfs/dbraw/zinc/94/74/14/1067947414.db2.gz YQGRFVPLHRWSBD-HXUWFJFHSA-N 1 0 450.402 4.907 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3(c4ccccc4C)CCCC3)cc([N+](=O)[O-])c2)CC1 ZINC001462088908 1067999658 /nfs/dbraw/zinc/99/96/58/1067999658.db2.gz GQBJBXUGCLLXDE-UHFFFAOYSA-N 1 0 450.583 4.520 20 5 JJBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463343570 1068363776 /nfs/dbraw/zinc/36/37/76/1068363776.db2.gz PJTJDOVWSFLYIC-QYZOEREBSA-N 1 0 472.383 4.696 20 5 JJBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC001464513489 1068770247 /nfs/dbraw/zinc/77/02/47/1068770247.db2.gz RUIYTOMQEJITHC-UHFFFAOYSA-N 1 0 451.548 4.616 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)c(Cl)nn2)cc1 ZINC001164421003 718893441 /nfs/dbraw/zinc/89/34/41/718893441.db2.gz OWKKAQCUIYCBHG-LJQANCHMSA-N 1 0 451.905 4.609 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164626514 719049662 /nfs/dbraw/zinc/04/96/62/719049662.db2.gz SELUBXNTWXQDAM-NFBKMPQASA-N 1 0 485.922 4.834 20 5 JJBDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164732903 720548320 /nfs/dbraw/zinc/54/83/20/720548320.db2.gz FFGPWRGQMHJONY-OAHLLOKOSA-N 1 0 495.958 4.766 20 5 JJBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164840432 720686864 /nfs/dbraw/zinc/68/68/64/720686864.db2.gz DRTJESDBYFVMDB-MRXNPFEDSA-N 1 0 451.354 4.557 20 5 JJBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164840429 720688190 /nfs/dbraw/zinc/68/81/90/720688190.db2.gz DRTJESDBYFVMDB-INIZCTEOSA-N 1 0 451.354 4.557 20 5 JJBDRO Cc1ccc(-c2ccc(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1[N+](=O)[O-] ZINC001164836957 720704876 /nfs/dbraw/zinc/70/48/76/720704876.db2.gz CBVCTLZEKYIWFI-HSZRJFAPSA-N 1 0 473.577 4.620 20 5 JJBDRO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164906562 721693840 /nfs/dbraw/zinc/69/38/40/721693840.db2.gz NKISQYKEMKVRNI-HSZRJFAPSA-N 1 0 453.493 4.584 20 5 JJBDRO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164906569 721694501 /nfs/dbraw/zinc/69/45/01/721694501.db2.gz NKISQYKEMKVRNI-QHCPKHFHSA-N 1 0 453.493 4.584 20 5 JJBDRO CCc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164911247 721729302 /nfs/dbraw/zinc/72/93/02/721729302.db2.gz JMOYOHDRKQPQEB-VWLOTQADSA-N 1 0 494.546 4.747 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1-c1ccc(F)cc1 ZINC001164912599 721737180 /nfs/dbraw/zinc/73/71/80/721737180.db2.gz OHVWANBJYWUNSK-XMMPIXPASA-N 1 0 483.494 4.929 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165021645 721809663 /nfs/dbraw/zinc/80/96/63/721809663.db2.gz FNHBKHSQTMXTRH-NBHGPNQESA-N 1 0 451.958 4.928 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001165023956 721824253 /nfs/dbraw/zinc/82/42/53/721824253.db2.gz IWGIVERAPYDCSF-SAWYMBPVSA-N 1 0 451.958 4.928 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001165030526 721828414 /nfs/dbraw/zinc/82/84/14/721828414.db2.gz ZQUAEENBKCHRQI-JXHRLWIKSA-N 1 0 478.984 4.837 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21 ZINC001165025693 721830930 /nfs/dbraw/zinc/83/09/30/721830930.db2.gz NMJGQGFRDVJOFF-FBBABVLZSA-N 1 0 451.958 4.928 20 5 JJBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)CC3)C2)cc1 ZINC001164939018 721932755 /nfs/dbraw/zinc/93/27/55/721932755.db2.gz HBXFZPRTTGQQDS-UHFFFAOYSA-N 1 0 493.995 4.885 20 5 JJBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001434884659 1064316986 /nfs/dbraw/zinc/31/69/86/1064316986.db2.gz JHABLKVQXGTNME-RHSMWYFYSA-N 1 0 453.486 4.657 20 5 JJBDRO CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCS1 ZINC001359746945 1064325239 /nfs/dbraw/zinc/32/52/39/1064325239.db2.gz PTLBUGUXNARYNF-SIKLNZKXSA-N 1 0 472.659 4.696 20 5 JJBDRO CC(C)Cc1nnc(N(C)CCc2ccccc2[N+](=O)[O-])n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001359784790 1064437650 /nfs/dbraw/zinc/43/76/50/1064437650.db2.gz NZWJFZHWAWLMTK-FQEVSTJZSA-N 1 0 456.635 4.574 20 5 JJBDRO CC(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001359826999 1064509434 /nfs/dbraw/zinc/50/94/34/1064509434.db2.gz XJSKSDZQYZRJJP-UHFFFAOYSA-N 1 0 454.619 4.602 20 5 JJBDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001359947853 1064698689 /nfs/dbraw/zinc/69/86/89/1064698689.db2.gz PYQVFRVPLJGBDJ-FQEVSTJZSA-N 1 0 484.645 4.615 20 5 JJBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435339073 1064709531 /nfs/dbraw/zinc/70/95/31/1064709531.db2.gz KKQICNZWFXAQFQ-CPJSRVTESA-N 1 0 459.546 4.814 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010614 1064803690 /nfs/dbraw/zinc/80/36/90/1064803690.db2.gz SUDYUTRWGALDBJ-RPWUZVMVSA-N 1 0 498.672 4.863 20 5 JJBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001360037986 1064848902 /nfs/dbraw/zinc/84/89/02/1064848902.db2.gz ZUXGJPFJTZENJC-UHFFFAOYSA-N 1 0 456.974 4.587 20 5 JJBDRO CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360128773 1065023553 /nfs/dbraw/zinc/02/35/53/1065023553.db2.gz CXZOFEILKDHGFI-GHTZIAJQSA-N 1 0 459.974 4.919 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@H](C(C)(C)C)C2)C1 ZINC001360138663 1065034242 /nfs/dbraw/zinc/03/42/42/1065034242.db2.gz IWIRPBCZRFGVES-FPOVZHCZSA-N 1 0 454.619 4.846 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@H](C(C)(C)C)C2)C1 ZINC001360138667 1065034809 /nfs/dbraw/zinc/03/48/09/1065034809.db2.gz IWIRPBCZRFGVES-TZIWHRDSSA-N 1 0 454.619 4.846 20 5 JJBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001436059663 1065151103 /nfs/dbraw/zinc/15/11/03/1065151103.db2.gz DDEPCERGKQTLTR-UHFFFAOYSA-N 1 0 450.461 4.644 20 5 JJBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC001436060767 1065152668 /nfs/dbraw/zinc/15/26/68/1065152668.db2.gz VBVNWWOEQPRJIQ-UHFFFAOYSA-N 1 0 459.550 4.687 20 5 JJBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001436276606 1065284709 /nfs/dbraw/zinc/28/47/09/1065284709.db2.gz WGBNIENDYXTIKR-OAQYLSRUSA-N 1 0 458.562 4.801 20 5 JJBDRO CC1CCN(c2ccc(C(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC001360464695 1065373878 /nfs/dbraw/zinc/37/38/78/1065373878.db2.gz FIDBAYQWWKRBDM-OAQYLSRUSA-N 1 0 450.583 4.568 20 5 JJBDRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001437008011 1065493559 /nfs/dbraw/zinc/49/35/59/1065493559.db2.gz PYBJPZIPKDDZTL-UHFFFAOYSA-N 1 0 451.552 4.611 20 5 JJBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001437563712 1065578101 /nfs/dbraw/zinc/57/81/01/1065578101.db2.gz QCZZKUNJWZFJMZ-UHFFFAOYSA-N 1 0 456.345 4.954 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3ccc(-c4ccc(C)o4)s3)cc([N+](=O)[O-])c2)CC1 ZINC001438315586 1065708028 /nfs/dbraw/zinc/70/80/28/1065708028.db2.gz NDQGHWILGMPIID-UHFFFAOYSA-N 1 0 454.552 4.643 20 5 JJBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001438327709 1065709818 /nfs/dbraw/zinc/70/98/18/1065709818.db2.gz MKXJXELRVSGBOV-YKSBVNFPSA-N 1 0 458.562 4.705 20 5 JJBDRO CCC[NH+]1CCN(c2ccc(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC001442252835 1066108445 /nfs/dbraw/zinc/10/84/45/1066108445.db2.gz VVPAYCPHAWSNFI-UHFFFAOYSA-N 1 0 459.978 4.611 20 5 JJBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)cc2F)CC1 ZINC001455084376 1066359103 /nfs/dbraw/zinc/35/91/03/1066359103.db2.gz HZQRYVKHYBCBCW-UHFFFAOYSA-N 1 0 459.280 4.574 20 5 JJBDRO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001361191560 1066518606 /nfs/dbraw/zinc/51/86/06/1066518606.db2.gz YDVZCBUSVDWLDS-QHCPKHFHSA-N 1 0 496.612 4.527 20 5 JJBDRO Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC001361272433 1066626865 /nfs/dbraw/zinc/62/68/65/1066626865.db2.gz HMOVMSLEAYDRIB-UHFFFAOYSA-N 1 0 468.627 4.828 20 5 JJBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3NCc3ccccc3)cc21 ZINC001456675685 1066665032 /nfs/dbraw/zinc/66/50/32/1066665032.db2.gz VNJXATYYJALTGW-UHFFFAOYSA-N 1 0 457.534 4.976 20 5 JJBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001456767990 1066683998 /nfs/dbraw/zinc/68/39/98/1066683998.db2.gz CZNQLWMWOAEBIF-JPYJTQIMSA-N 1 0 456.612 4.706 20 5 JJBDRO Cc1csc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001492646204 1066749395 /nfs/dbraw/zinc/74/93/95/1066749395.db2.gz YYVHHKXQAGAABJ-IBGZPJMESA-N 1 0 468.627 4.980 20 5 JJBDRO CS[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC001447106783 1066773687 /nfs/dbraw/zinc/77/36/87/1066773687.db2.gz QWSQMXIHLZXEHJ-AEFFLSMTSA-N 1 0 452.001 4.517 20 5 JJBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC001457809213 1066925330 /nfs/dbraw/zinc/92/53/30/1066925330.db2.gz WOHMZTTUFNJSIP-LJQANCHMSA-N 1 0 458.990 4.560 20 5 JJBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001545804794 1067116160 /nfs/dbraw/zinc/11/61/60/1067116160.db2.gz BKIZPHDMJDOIOF-HXUWFJFHSA-N 1 0 491.434 4.709 20 5 JJBDRO O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC001546027274 1067135353 /nfs/dbraw/zinc/13/53/53/1067135353.db2.gz TVDGJOLWGJMGEG-UHFFFAOYSA-N 1 0 456.974 4.951 20 5 JJBDRO CC(C)([C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001458834838 1067162871 /nfs/dbraw/zinc/16/28/71/1067162871.db2.gz HDAFIZGCNXOLNY-OAQYLSRUSA-N 1 0 451.901 4.801 20 5 JJBDRO CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)on1 ZINC001545823281 1067165478 /nfs/dbraw/zinc/16/54/78/1067165478.db2.gz HNPFMCKSYUPSCT-QZTJIDSGSA-N 1 0 481.601 4.712 20 5 JJBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001459326276 1067295905 /nfs/dbraw/zinc/29/59/05/1067295905.db2.gz MEZNJFCYOHHRPP-HSZRJFAPSA-N 1 0 452.599 4.718 20 5 JJBDRO COc1ccc(CCC[N@H+](C)[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC001459346512 1067299556 /nfs/dbraw/zinc/29/95/56/1067299556.db2.gz GDSWHGOTZODDGU-INIZCTEOSA-N 1 0 454.552 4.619 20 5 JJBDRO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cccc1[N+](=O)[O-] ZINC001459762414 1067412746 /nfs/dbraw/zinc/41/27/46/1067412746.db2.gz JAWODSVEYOVAHO-NRFANRHFSA-N 1 0 450.583 4.751 20 5 JJBDRO COc1cc(CN2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1F ZINC001459804999 1067431295 /nfs/dbraw/zinc/43/12/95/1067431295.db2.gz SGRVQFHAFIKJPI-UHFFFAOYSA-N 1 0 455.452 4.858 20 5 JJBDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C2CC2)cc1 ZINC001459824995 1067440891 /nfs/dbraw/zinc/44/08/91/1067440891.db2.gz JELOFENQKNWNIK-SPLOXXLWSA-N 1 0 452.536 4.795 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870662 1067467285 /nfs/dbraw/zinc/46/72/85/1067467285.db2.gz PDYWNQWVBKOIPU-IEBWSBKVSA-N 1 0 451.445 4.829 20 5 JJBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC001459911471 1067486705 /nfs/dbraw/zinc/48/67/05/1067486705.db2.gz VHHOTOKARGGTPD-LJQANCHMSA-N 1 0 450.308 4.971 20 5 JJBDRO COc1cc(C[N@H+](Cc2cccc(Br)c2)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC001459954166 1067505719 /nfs/dbraw/zinc/50/57/19/1067505719.db2.gz UECZBTUCOHCDEN-UHFFFAOYSA-N 1 0 453.308 4.686 20 5 JJBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001459996593 1067519943 /nfs/dbraw/zinc/51/99/43/1067519943.db2.gz VPDIUXNZAWMRHM-LJQANCHMSA-N 1 0 450.308 4.874 20 5 JJBDRO O=C(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001460028893 1067533699 /nfs/dbraw/zinc/53/36/99/1067533699.db2.gz JUPPERJYOWAONI-UHFFFAOYSA-N 1 0 457.836 4.501 20 5 JJBDRO CC(C)C[C@@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001460053611 1067540064 /nfs/dbraw/zinc/54/00/64/1067540064.db2.gz HIDGRXGFBDSQNA-WIYYLYMNSA-N 1 0 451.361 4.648 20 5 JJBDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001460074420 1067547123 /nfs/dbraw/zinc/54/71/23/1067547123.db2.gz IQEHLRXXYBHJSW-UHFFFAOYSA-N 1 0 457.836 4.992 20 5 JJBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)c(Cl)c1 ZINC001460135134 1067561537 /nfs/dbraw/zinc/56/15/37/1067561537.db2.gz MOJXEPMERIFAIJ-CQSZACIVSA-N 1 0 456.711 4.917 20 5 JJBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)C12CCCC2 ZINC001460358609 1067617439 /nfs/dbraw/zinc/61/74/39/1067617439.db2.gz AHGVGYJGXAJYFL-KRWDZBQOSA-N 1 0 454.365 4.769 20 5 JJBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)cc1OC ZINC001460751210 1067716145 /nfs/dbraw/zinc/71/61/45/1067716145.db2.gz OGDDMGGYQJMPDQ-LSTHTHJFSA-N 1 0 462.587 4.828 20 5 JJBDRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001461093943 1067780944 /nfs/dbraw/zinc/78/09/44/1067780944.db2.gz BCBWSRNBNANBSD-UHFFFAOYSA-N 1 0 451.552 4.611 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCN2CCN(c3ccccc3Cl)CC2)o1 ZINC001461104282 1067782742 /nfs/dbraw/zinc/78/27/42/1067782742.db2.gz FZYHZVVEJKFASO-UHFFFAOYSA-N 1 0 454.958 4.810 20 5 JJBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461233481 1067806040 /nfs/dbraw/zinc/80/60/40/1067806040.db2.gz MPPCHIYBAOHLGK-XDHUDOTRSA-N 1 0 455.942 4.887 20 5 JJBDRO CN1CC[C@@H](C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461406564 1067847795 /nfs/dbraw/zinc/84/77/95/1067847795.db2.gz MVKMFQLQZLXRLG-DJJJIMSYSA-N 1 0 456.743 4.932 20 5 JJBDRO COC(=O)COc1ccc(C[NH2+]CC2(c3cccc(Cl)c3F)CCCC2)cc1[N+](=O)[O-] ZINC001461435116 1067855981 /nfs/dbraw/zinc/85/59/81/1067855981.db2.gz WFQLQJLVXJTAAR-UHFFFAOYSA-N 1 0 450.894 4.541 20 5 JJBDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC001461466982 1067864021 /nfs/dbraw/zinc/86/40/21/1067864021.db2.gz SSRXMEJPDIRMKI-GOSISDBHSA-N 1 0 455.946 4.841 20 5 JJBDRO COc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC001461687972 1067918648 /nfs/dbraw/zinc/91/86/48/1067918648.db2.gz PPLDXOJSVMWRHH-XMMPIXPASA-N 1 0 456.926 4.833 20 5 JJBDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001462254194 1068038570 /nfs/dbraw/zinc/03/85/70/1068038570.db2.gz FCETYILRABZYCV-NFBKMPQASA-N 1 0 457.546 4.907 20 5 JJBDRO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)ccn1 ZINC001462460633 1068079624 /nfs/dbraw/zinc/07/96/24/1068079624.db2.gz YKBKEASLJAUTBD-HXUWFJFHSA-N 1 0 452.477 4.502 20 5 JJBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001462579660 1068103866 /nfs/dbraw/zinc/10/38/66/1068103866.db2.gz VKILWWXRAXDCKL-QRQLOZEOSA-N 1 0 453.530 4.788 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cc(F)cc(OCc4ccccc4)c3)CC2)cn1 ZINC001462619344 1068113814 /nfs/dbraw/zinc/11/38/14/1068113814.db2.gz PNDWXOJFQYKONR-UHFFFAOYSA-N 1 0 450.514 4.509 20 5 JJBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001464412784 1068737277 /nfs/dbraw/zinc/73/72/77/1068737277.db2.gz GQNLMXRMMYIQDF-KZNAEPCWSA-N 1 0 458.990 4.957 20 5 JJBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001464412778 1068737295 /nfs/dbraw/zinc/73/72/95/1068737295.db2.gz GQNLMXRMMYIQDF-KSZLIROESA-N 1 0 458.990 4.957 20 5 JJBDRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC001464535696 1068775170 /nfs/dbraw/zinc/77/51/70/1068775170.db2.gz BTZRMQZQWUKZQP-IBGZPJMESA-N 1 0 453.370 4.712 20 5 JJBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164705858 719898416 /nfs/dbraw/zinc/89/84/16/719898416.db2.gz DLUPHTHMZMPNSS-UHFFFAOYSA-N 1 0 458.971 4.729 20 5 JJBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])C2 ZINC001164814411 720116086 /nfs/dbraw/zinc/11/60/86/720116086.db2.gz SIFRKXUHZYBLMU-XDHUDOTRSA-N 1 0 490.963 4.759 20 5 JJBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164711174 720142509 /nfs/dbraw/zinc/14/25/09/720142509.db2.gz FULRDVQZQDCHPR-FQEVSTJZSA-N 1 0 481.984 4.699 20 5 JJBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164711177 720143032 /nfs/dbraw/zinc/14/30/32/720143032.db2.gz FULRDVQZQDCHPR-HXUWFJFHSA-N 1 0 481.984 4.699 20 5 JJBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164712292 720156564 /nfs/dbraw/zinc/15/65/64/720156564.db2.gz FFGAYLRMAWEVCU-FQEVSTJZSA-N 1 0 481.984 4.699 20 5 JJBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164837597 720677503 /nfs/dbraw/zinc/67/75/03/720677503.db2.gz DGFQWRLRUSJGOO-MRXNPFEDSA-N 1 0 451.354 4.557 20 5 JJBDRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164747830 720880094 /nfs/dbraw/zinc/88/00/94/720880094.db2.gz BXWKBABYDVAOHD-FIPFOOKPSA-N 1 0 487.604 4.602 20 5 JJBDRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164747839 720880204 /nfs/dbraw/zinc/88/02/04/720880204.db2.gz BXWKBABYDVAOHD-NEKDWFFYSA-N 1 0 487.604 4.602 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1-c1ccccc1 ZINC001164747240 720934377 /nfs/dbraw/zinc/93/43/77/720934377.db2.gz CIHFITDWOBXYKQ-IRPSRAIASA-N 1 0 499.615 4.807 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164791270 721467463 /nfs/dbraw/zinc/46/74/63/721467463.db2.gz WFDCGBJLGHTCSL-HXUWFJFHSA-N 1 0 489.016 4.530 20 5 JJBDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164796388 721502105 /nfs/dbraw/zinc/50/21/05/721502105.db2.gz TUYJKEKLPPIEQZ-UHFFFAOYSA-N 1 0 478.984 4.981 20 5 JJBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@@H]2CCCO[C@H]12 ZINC001164807978 721557219 /nfs/dbraw/zinc/55/72/19/721557219.db2.gz UCSGDSDWXACSAH-YPCDYVTLSA-N 1 0 459.981 4.700 20 5 JJBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@@H]2CCCO[C@H]21 ZINC001164807921 721557709 /nfs/dbraw/zinc/55/77/09/721557709.db2.gz UCSGDSDWXACSAH-IPVFLDMMSA-N 1 0 459.981 4.700 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001165021646 721809735 /nfs/dbraw/zinc/80/97/35/721809735.db2.gz FNHBKHSQTMXTRH-OZOXKJRCSA-N 1 0 451.958 4.928 20 5 JJBDRO CCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027851 721826696 /nfs/dbraw/zinc/82/66/96/721826696.db2.gz UEOXERUIIYOSNF-OPXMRZJTSA-N 1 0 472.593 4.746 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC001165029004 721830800 /nfs/dbraw/zinc/83/08/00/721830800.db2.gz WGYUDSVJHLQVQV-WTIAFYNJSA-N 1 0 461.541 4.928 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001165025694 721830903 /nfs/dbraw/zinc/83/09/03/721830903.db2.gz NMJGQGFRDVJOFF-HFSMHLIXSA-N 1 0 451.958 4.928 20 5 JJBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165023493 721839359 /nfs/dbraw/zinc/83/93/59/721839359.db2.gz ZRFHCUQBOALNCB-UHFFFAOYSA-N 1 0 450.539 4.569 20 5 JJBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940554 721925264 /nfs/dbraw/zinc/92/52/64/721925264.db2.gz TWBHRJFUABFHSU-UHFFFAOYSA-N 1 0 466.969 4.976 20 5 JJBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001434884660 1064316806 /nfs/dbraw/zinc/31/68/06/1064316806.db2.gz JHABLKVQXGTNME-WMLDXEAASA-N 1 0 453.486 4.657 20 5 JJBDRO CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCS1 ZINC001359748226 1064333462 /nfs/dbraw/zinc/33/34/62/1064333462.db2.gz RCLMNLARIQVVJJ-OAQYLSRUSA-N 1 0 472.659 4.553 20 5 JJBDRO CSc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c1[N+](=O)[O-] ZINC001435013113 1064429808 /nfs/dbraw/zinc/42/98/08/1064429808.db2.gz MESREOXTLXOTBD-UHFFFAOYSA-N 1 0 456.568 4.774 20 5 JJBDRO CC(C)Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001359781898 1064433426 /nfs/dbraw/zinc/43/34/26/1064433426.db2.gz YJLAMXFWVKSHEE-UHFFFAOYSA-N 1 0 482.654 4.995 20 5 JJBDRO CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001359785920 1064439669 /nfs/dbraw/zinc/43/96/69/1064439669.db2.gz FEOKVDSFZRUTBX-FQEVSTJZSA-N 1 0 454.619 4.674 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001360116031 1064999575 /nfs/dbraw/zinc/99/95/75/1064999575.db2.gz RPXLRLONXXOILV-HXUWFJFHSA-N 1 0 454.575 4.795 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCO2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001360116582 1065001181 /nfs/dbraw/zinc/00/11/81/1065001181.db2.gz JKMXHIPYRYITRG-JOCHJYFZSA-N 1 0 470.618 4.575 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC2CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001360116508 1065001244 /nfs/dbraw/zinc/00/12/44/1065001244.db2.gz HQVPNTNTIPZOGK-UHFFFAOYSA-N 1 0 454.619 4.818 20 5 JJBDRO CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360128782 1065023619 /nfs/dbraw/zinc/02/36/19/1065023619.db2.gz CXZOFEILKDHGFI-WIYYLYMNSA-N 1 0 459.974 4.919 20 5 JJBDRO Cc1cnc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC001435925763 1065066792 /nfs/dbraw/zinc/06/67/92/1065066792.db2.gz DSKCZPOKHBYLIG-YIXXDRMTSA-N 1 0 459.546 4.740 20 5 JJBDRO C[C@H](c1ccco1)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([NH+](C)C)CCCCC1 ZINC001360454600 1065352874 /nfs/dbraw/zinc/35/28/74/1065352874.db2.gz NMDAHCHJOJMZHY-GOSISDBHSA-N 1 0 452.559 4.908 20 5 JJBDRO O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001436566124 1065367104 /nfs/dbraw/zinc/36/71/04/1065367104.db2.gz KXHQDASGLWXLPF-UHFFFAOYSA-N 1 0 459.534 4.963 20 5 JJBDRO CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001360592493 1065600905 /nfs/dbraw/zinc/60/09/05/1065600905.db2.gz WQQBWXJYDOEMQO-LJQANCHMSA-N 1 0 452.559 4.593 20 5 JJBDRO CC(C)N(Cc1ccco1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001360592492 1065601043 /nfs/dbraw/zinc/60/10/43/1065601043.db2.gz WQQBWXJYDOEMQO-IBGZPJMESA-N 1 0 452.559 4.593 20 5 JJBDRO CCC[C@@H](C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1)c1ccc(Cl)cc1 ZINC001438313586 1065707606 /nfs/dbraw/zinc/70/76/06/1065707606.db2.gz DUNOUVQZWMXQHD-HSZRJFAPSA-N 1 0 458.990 4.937 20 5 JJBDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001439822226 1065883165 /nfs/dbraw/zinc/88/31/65/1065883165.db2.gz ZFEOINKXHSXVBN-BJKOFHAPSA-N 1 0 459.546 4.780 20 5 JJBDRO CC(C)(C)[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360807920 1065920131 /nfs/dbraw/zinc/92/01/31/1065920131.db2.gz BZCZMVBZEBPGOK-SANMLTNESA-N 1 0 484.645 4.617 20 5 JJBDRO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001360807919 1065920273 /nfs/dbraw/zinc/92/02/73/1065920273.db2.gz BZCZMVBZEBPGOK-AREMUKBSSA-N 1 0 484.645 4.617 20 5 JJBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccsc1 ZINC001441004828 1066000012 /nfs/dbraw/zinc/00/00/12/1066000012.db2.gz IKFDYQQHBRJPQH-OAQYLSRUSA-N 1 0 458.971 4.955 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1ccc(C(F)(F)F)cc1 ZINC001442306700 1066115291 /nfs/dbraw/zinc/11/52/91/1066115291.db2.gz NSCHUROMCGSABU-HXUWFJFHSA-N 1 0 453.461 4.500 20 5 JJBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001442357660 1066119799 /nfs/dbraw/zinc/11/97/99/1066119799.db2.gz XEGBSYCOIYDZHM-RBUKOAKNSA-N 1 0 450.366 4.986 20 5 JJBDRO COc1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001454163581 1066250491 /nfs/dbraw/zinc/25/04/91/1066250491.db2.gz DJZRRBBGTZXWSU-NHCUHLMSSA-N 1 0 459.930 4.652 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001361180644 1066500987 /nfs/dbraw/zinc/50/09/87/1066500987.db2.gz DETUGFCWVJFZLY-AVRWGWEMSA-N 1 0 466.586 4.902 20 5 JJBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC001445563822 1066587688 /nfs/dbraw/zinc/58/76/88/1066587688.db2.gz BGBNFPUIOWYJFL-CQSZACIVSA-N 1 0 456.356 4.613 20 5 JJBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001456767995 1066683978 /nfs/dbraw/zinc/68/39/78/1066683978.db2.gz CZNQLWMWOAEBIF-MBSDFSHPSA-N 1 0 456.612 4.706 20 5 JJBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001457540156 1066855832 /nfs/dbraw/zinc/85/58/32/1066855832.db2.gz SAPXWQXCTUTXAI-XMMPIXPASA-N 1 0 458.562 4.944 20 5 JJBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC001458097598 1066974623 /nfs/dbraw/zinc/97/46/23/1066974623.db2.gz DVWHQEDBCJSKDI-UHFFFAOYSA-N 1 0 458.562 4.575 20 5 JJBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC[C@H](C)C1)[NH+]1CCOCC1 ZINC001545804809 1067116966 /nfs/dbraw/zinc/11/69/66/1067116966.db2.gz BTCFYJUALPCYQA-GBXCKJPGSA-N 1 0 484.645 4.617 20 5 JJBDRO CC(C)Cc1ccc([C@@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[NH+](C)C)cc1 ZINC001450806840 1067124232 /nfs/dbraw/zinc/12/42/32/1067124232.db2.gz VDRPAIVHMFHUQX-JOCHJYFZSA-N 1 0 452.580 4.950 20 5 JJBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC001450946784 1067136734 /nfs/dbraw/zinc/13/67/34/1067136734.db2.gz MCXVSBHOZNABPJ-OAHLLOKOSA-N 1 0 456.593 4.912 20 5 JJBDRO CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)on1 ZINC001545823283 1067165652 /nfs/dbraw/zinc/16/56/52/1067165652.db2.gz HNPFMCKSYUPSCT-ZWKOTPCHSA-N 1 0 481.601 4.712 20 5 JJBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001452724538 1067246500 /nfs/dbraw/zinc/24/65/00/1067246500.db2.gz FQMNWPIXVIMTFL-DILWRCETSA-N 1 0 452.580 4.838 20 5 JJBDRO C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001459722989 1067395809 /nfs/dbraw/zinc/39/58/09/1067395809.db2.gz UQWYRNVENIUFNT-VBKZILBWSA-N 1 0 456.381 4.921 20 5 JJBDRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001459723676 1067395903 /nfs/dbraw/zinc/39/59/03/1067395903.db2.gz UQWYRNVENIUFNT-VLIAUNLRSA-N 1 0 456.381 4.921 20 5 JJBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001459853248 1067457814 /nfs/dbraw/zinc/45/78/14/1067457814.db2.gz NCKUPYXYTRWUMC-HOTGVXAUSA-N 1 0 457.527 4.611 20 5 JJBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001459862346 1067462000 /nfs/dbraw/zinc/46/20/00/1067462000.db2.gz AURLTEUHTAQVLR-NRFANRHFSA-N 1 0 450.470 4.666 20 5 JJBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001459916833 1067489495 /nfs/dbraw/zinc/48/94/95/1067489495.db2.gz OMXKVTPNCATDOH-CABCVRRESA-N 1 0 452.351 4.637 20 5 JJBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001459916842 1067489956 /nfs/dbraw/zinc/48/99/56/1067489956.db2.gz OMXKVTPNCATDOH-LSDHHAIUSA-N 1 0 452.351 4.637 20 5 JJBDRO O=C(CC[N@@H+](Cc1cccc(Br)c1)CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC001460059157 1067541805 /nfs/dbraw/zinc/54/18/05/1067541805.db2.gz JMKMEVFXCLCCKY-UHFFFAOYSA-N 1 0 450.308 4.737 20 5 JJBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC001460084415 1067549741 /nfs/dbraw/zinc/54/97/41/1067549741.db2.gz BHIORGPSBDRVJF-INIZCTEOSA-N 1 0 451.445 4.830 20 5 JJBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)c(Cl)c1 ZINC001460135131 1067561682 /nfs/dbraw/zinc/56/16/82/1067561682.db2.gz MOJXEPMERIFAIJ-AWEZNQCLSA-N 1 0 456.711 4.917 20 5 JJBDRO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC001460868199 1067738325 /nfs/dbraw/zinc/73/83/25/1067738325.db2.gz DEDAILBPOANLEQ-QFIPXVFZSA-N 1 0 458.502 4.581 20 5 JJBDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 ZINC001461016646 1067762607 /nfs/dbraw/zinc/76/26/07/1067762607.db2.gz JZARLVAZIBBWCL-QFIPXVFZSA-N 1 0 455.942 4.980 20 5 JJBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2ccccc2C(F)(F)F)c1 ZINC001461104368 1067782662 /nfs/dbraw/zinc/78/26/62/1067782662.db2.gz FLQQSSRVUJPEGU-UHFFFAOYSA-N 1 0 450.198 4.551 20 5 JJBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(NC(N)=O)cc1 ZINC001461192659 1067796400 /nfs/dbraw/zinc/79/64/00/1067796400.db2.gz HWEUXDOBJGICHN-GFCCVEGCSA-N 1 0 459.300 4.959 20 5 JJBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC001461268512 1067814507 /nfs/dbraw/zinc/81/45/07/1067814507.db2.gz SESOUYMJRGWPFL-HFAJPBBRSA-N 1 0 455.374 4.787 20 5 JJBDRO COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001461761461 1067932157 /nfs/dbraw/zinc/93/21/57/1067932157.db2.gz RKJSLVFDMUBYOF-KRWDZBQOSA-N 1 0 450.919 4.546 20 5 JJBDRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001461830071 1067943320 /nfs/dbraw/zinc/94/33/20/1067943320.db2.gz KCHRBNBHDRGWQQ-OAHLLOKOSA-N 1 0 452.736 4.534 20 5 JJBDRO Cc1c(C(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001461871852 1067951791 /nfs/dbraw/zinc/95/17/91/1067951791.db2.gz PRQVUHVWAPPVLH-UHFFFAOYSA-N 1 0 454.527 4.635 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CSc3ccc(C(C)C)cc3)cc([N+](=O)[O-])c2)CC1 ZINC001462093507 1068001176 /nfs/dbraw/zinc/00/11/76/1068001176.db2.gz RBTMTDCAPYVBPA-UHFFFAOYSA-N 1 0 456.612 4.615 20 5 JJBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001462579654 1068104024 /nfs/dbraw/zinc/10/40/24/1068104024.db2.gz VKILWWXRAXDCKL-BHIYHBOVSA-N 1 0 453.530 4.788 20 5 JJBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)cc1SC ZINC001462627506 1068117000 /nfs/dbraw/zinc/11/70/00/1068117000.db2.gz XCLRNMXPECBDHC-UHFFFAOYSA-N 1 0 457.596 4.890 20 5 JJBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)c1 ZINC001464469009 1068757936 /nfs/dbraw/zinc/75/79/36/1068757936.db2.gz ZXBOSRJAACIXHI-UHFFFAOYSA-N 1 0 456.593 4.893 20 5 JJBDRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC001464535698 1068775053 /nfs/dbraw/zinc/77/50/53/1068775053.db2.gz BTZRMQZQWUKZQP-LJQANCHMSA-N 1 0 453.370 4.712 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c(Cl)nn1 ZINC001164386885 718815715 /nfs/dbraw/zinc/81/57/15/718815715.db2.gz BIDPPYZIKQIIGA-QGZVFWFLSA-N 1 0 491.848 4.761 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c(Cl)nn2)cc1 ZINC001164388543 718815786 /nfs/dbraw/zinc/81/57/86/718815786.db2.gz PMACGNXRIJNRRZ-KRWDZBQOSA-N 1 0 491.848 4.761 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)cnc2Cl)c1 ZINC001164430417 718948011 /nfs/dbraw/zinc/94/80/11/718948011.db2.gz URCNJPRJACKKJW-NHCUHLMSSA-N 1 0 456.880 4.931 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)cnc2Cl)c1 ZINC001164430416 718948496 /nfs/dbraw/zinc/94/84/96/718948496.db2.gz URCNJPRJACKKJW-LEWJYISDSA-N 1 0 456.880 4.931 20 5 JJBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164711135 720106287 /nfs/dbraw/zinc/10/62/87/720106287.db2.gz ORCMXHVHIDIRPA-XMMPIXPASA-N 1 0 453.590 4.686 20 5 JJBDRO Cc1ccc(C[NH+]2CCC3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])CC3)CC2)cc1 ZINC001164758909 721043575 /nfs/dbraw/zinc/04/35/75/721043575.db2.gz DWVLFIOHXYKUNH-UHFFFAOYSA-N 1 0 450.370 4.883 20 5 JJBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164787742 721366461 /nfs/dbraw/zinc/36/64/61/721366461.db2.gz ZPNLTTPAUHOBTR-XMMPIXPASA-N 1 0 485.972 4.520 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164783460 721454912 /nfs/dbraw/zinc/45/49/12/721454912.db2.gz BUZSDRDHGDLFPD-DEOSSOPVSA-N 1 0 460.622 4.517 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164790008 721457973 /nfs/dbraw/zinc/45/79/73/721457973.db2.gz YXWGKPNXJVFHLZ-LJQANCHMSA-N 1 0 489.016 4.530 20 5 JJBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@H]2CCCO[C@@H]12 ZINC001164807973 721557593 /nfs/dbraw/zinc/55/75/93/721557593.db2.gz UCSGDSDWXACSAH-LZCXECNNSA-N 1 0 459.981 4.700 20 5 JJBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164904264 721711529 /nfs/dbraw/zinc/71/15/29/721711529.db2.gz AYOYJZZGEUWWTK-QFIPXVFZSA-N 1 0 473.911 4.929 20 5 JJBDRO Clc1ccc2ccc3ccc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)nc3c2n1 ZINC001164975763 722120563 /nfs/dbraw/zinc/12/05/63/722120563.db2.gz KTENWWZXWPWPLD-VXKWHMMOSA-N 1 0 459.981 4.559 20 5 JJBDRO CC(C)CC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001359773168 1064411005 /nfs/dbraw/zinc/41/10/05/1064411005.db2.gz GUMCHVVIOQXZHY-UHFFFAOYSA-N 1 0 454.619 4.990 20 5 JJBDRO CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001359786433 1064440863 /nfs/dbraw/zinc/44/08/63/1064440863.db2.gz XLNZOAJGGNYMLA-JOCHJYFZSA-N 1 0 454.619 4.674 20 5 JJBDRO CC(C)Cc1nnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001359787291 1064442280 /nfs/dbraw/zinc/44/22/80/1064442280.db2.gz YNKFYPUMEJNLIR-UHFFFAOYSA-N 1 0 454.619 4.818 20 5 JJBDRO Cc1cc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC001359846851 1064533012 /nfs/dbraw/zinc/53/30/12/1064533012.db2.gz CGZJHBPEVXKHNS-UHFFFAOYSA-N 1 0 454.752 4.523 20 5 JJBDRO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001359933581 1064675405 /nfs/dbraw/zinc/67/54/05/1064675405.db2.gz UEHGQIOSLVBOOC-RTWAWAEBSA-N 1 0 454.619 4.990 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010612 1064803376 /nfs/dbraw/zinc/80/33/76/1064803376.db2.gz SUDYUTRWGALDBJ-BJKOFHAPSA-N 1 0 498.672 4.863 20 5 JJBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001360496884 1065412908 /nfs/dbraw/zinc/41/29/08/1065412908.db2.gz CCAPCFXLOYAFRF-LJQANCHMSA-N 1 0 468.627 4.714 20 5 JJBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001436646831 1065415855 /nfs/dbraw/zinc/41/58/55/1065415855.db2.gz GNBZUAOYGSLCJC-UHFFFAOYSA-N 1 0 453.930 4.567 20 5 JJBDRO C[C@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001360537057 1065520779 /nfs/dbraw/zinc/52/07/79/1065520779.db2.gz WNRNJQXVMCGJCM-QGZVFWFLSA-N 1 0 468.627 4.770 20 5 JJBDRO O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001437582166 1065581241 /nfs/dbraw/zinc/58/12/41/1065581241.db2.gz STLHKPJCYBBDAT-XZOQPEGZSA-N 1 0 481.892 4.978 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001360599188 1065619996 /nfs/dbraw/zinc/61/99/96/1065619996.db2.gz LLZQGYVDUZSWLM-QPPBQGQZSA-N 1 0 484.645 4.965 20 5 JJBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001438327652 1065709774 /nfs/dbraw/zinc/70/97/74/1065709774.db2.gz MKXJXELRVSGBOV-GBXCKJPGSA-N 1 0 458.562 4.705 20 5 JJBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001438327683 1065709945 /nfs/dbraw/zinc/70/99/45/1065709945.db2.gz MKXJXELRVSGBOV-RDPSFJRHSA-N 1 0 458.562 4.705 20 5 JJBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001360735550 1065763837 /nfs/dbraw/zinc/76/38/37/1065763837.db2.gz SRXZECWAXHOSEW-UNMCSNQZSA-N 1 0 450.583 4.710 20 5 JJBDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001438977687 1065773464 /nfs/dbraw/zinc/77/34/64/1065773464.db2.gz LSMWCWYEHNUTSR-NRFANRHFSA-N 1 0 450.564 4.845 20 5 JJBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439820547 1065882056 /nfs/dbraw/zinc/88/20/56/1065882056.db2.gz UNFBKEIOOMDZGJ-OFAXGOBFSA-N 1 0 479.964 4.800 20 5 JJBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccsc1 ZINC001441004821 1065999163 /nfs/dbraw/zinc/99/91/63/1065999163.db2.gz IKFDYQQHBRJPQH-NRFANRHFSA-N 1 0 458.971 4.955 20 5 JJBDRO Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001360932237 1066089876 /nfs/dbraw/zinc/08/98/76/1066089876.db2.gz JFSXMROBNVWXDI-SFHVURJKSA-N 1 0 452.559 4.656 20 5 JJBDRO Cc1ccc([C@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC001442871209 1066235372 /nfs/dbraw/zinc/23/53/72/1066235372.db2.gz IBLDGSYASQRMIV-IXFSTUDKSA-N 1 0 454.571 4.545 20 5 JJBDRO CC[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001546064564 1066321507 /nfs/dbraw/zinc/32/15/07/1066321507.db2.gz ROBFBKSCXZJYRG-CPJSRVTESA-N 1 0 454.619 4.992 20 5 JJBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2[N+](=O)[O-])C1 ZINC001444163288 1066422475 /nfs/dbraw/zinc/42/24/75/1066422475.db2.gz GOWZQSRCZZFCKC-CIAFKFPVSA-N 1 0 456.631 4.804 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)o1 ZINC001361180645 1066501021 /nfs/dbraw/zinc/50/10/21/1066501021.db2.gz DETUGFCWVJFZLY-BVZFJXPGSA-N 1 0 466.586 4.902 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001361180646 1066501054 /nfs/dbraw/zinc/50/10/54/1066501054.db2.gz DETUGFCWVJFZLY-CJAUYULYSA-N 1 0 466.586 4.902 20 5 JJBDRO C[C@@H]1C[C@H](NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@@H+]1C ZINC001445059830 1066535663 /nfs/dbraw/zinc/53/56/63/1066535663.db2.gz YLGBRJNWAZDLQM-KKJHOPATSA-N 1 0 450.564 4.734 20 5 JJBDRO Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC001361250518 1066597455 /nfs/dbraw/zinc/59/74/55/1066597455.db2.gz YOBYOOZQHVMEAW-QZTJIDSGSA-N 1 0 498.653 4.747 20 5 JJBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981350 1066735541 /nfs/dbraw/zinc/73/55/41/1066735541.db2.gz GAHVMIQVKLMQKE-INIZCTEOSA-N 1 0 455.864 4.775 20 5 JJBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC001457612082 1066878635 /nfs/dbraw/zinc/87/86/35/1066878635.db2.gz MASYNLVLJZPSKT-UHFFFAOYSA-N 1 0 454.390 4.711 20 5 JJBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC001458191366 1067000781 /nfs/dbraw/zinc/00/07/81/1067000781.db2.gz BPEMBHMSGZDXNA-KRWDZBQOSA-N 1 0 451.445 4.785 20 5 JJBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001458475493 1067071602 /nfs/dbraw/zinc/07/16/02/1067071602.db2.gz YHRHNAJFCFWOLI-GOSISDBHSA-N 1 0 455.356 4.659 20 5 JJBDRO CCC(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001545819855 1067156269 /nfs/dbraw/zinc/15/62/69/1067156269.db2.gz NJOMGYZRCNOQSM-DEOSSOPVSA-N 1 0 468.646 4.848 20 5 JJBDRO CCC(CC)c1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)on1 ZINC001545823282 1067165573 /nfs/dbraw/zinc/16/55/73/1067165573.db2.gz HNPFMCKSYUPSCT-ROUUACIJSA-N 1 0 481.601 4.712 20 5 JJBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC001458919522 1067197231 /nfs/dbraw/zinc/19/72/31/1067197231.db2.gz STBYPEJYUMDYPA-UHFFFAOYSA-N 1 0 459.546 4.684 20 5 JJBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001452724567 1067246590 /nfs/dbraw/zinc/24/65/90/1067246590.db2.gz FQMNWPIXVIMTFL-UHWDDTASSA-N 1 0 452.580 4.838 20 5 JJBDRO Cc1csc(Sc2ccc(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC001459254064 1067278157 /nfs/dbraw/zinc/27/81/57/1067278157.db2.gz FHUGLARJMBJXSA-MGPUTAFESA-N 1 0 456.593 4.932 20 5 JJBDRO CC[C@]1(C)CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)O1 ZINC001546048123 1067285872 /nfs/dbraw/zinc/28/58/72/1067285872.db2.gz IJHNCJOACLVLMO-PXDATVDWSA-N 1 0 470.618 4.512 20 5 JJBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001459412540 1067316723 /nfs/dbraw/zinc/31/67/23/1067316723.db2.gz HZSOJGBEKUOMJF-NRFANRHFSA-N 1 0 450.564 4.749 20 5 JJBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001459516014 1067342795 /nfs/dbraw/zinc/34/27/95/1067342795.db2.gz ZFPYOOOZMGRCTP-FDDCHVKYSA-N 1 0 456.974 4.736 20 5 JJBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001459838876 1067447558 /nfs/dbraw/zinc/44/75/58/1067447558.db2.gz ZPMCOCUSWPRXCW-MRXNPFEDSA-N 1 0 450.470 4.584 20 5 JJBDRO CC1(C)C[C@@H]([N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)Cc2ccccc2)C(C)(C)O1 ZINC001459872794 1067468393 /nfs/dbraw/zinc/46/83/93/1067468393.db2.gz WEHYNNBMZYHXGS-JOCHJYFZSA-N 1 0 453.539 4.741 20 5 JJBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)cc(Br)c1 ZINC001459964832 1067509680 /nfs/dbraw/zinc/50/96/80/1067509680.db2.gz UHKGGBKMNAGFAC-ZBEGNZNMSA-N 1 0 454.296 4.573 20 5 JJBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001460228843 1067584585 /nfs/dbraw/zinc/58/45/85/1067584585.db2.gz LBJVJRZUHFQUAC-DYVFJYSZSA-N 1 0 451.470 4.541 20 5 JJBDRO CCC1(CC)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+](C)C(C)C)CCS1 ZINC001546115087 1067592220 /nfs/dbraw/zinc/59/22/20/1067592220.db2.gz REFAQQOGZVIOFW-UHFFFAOYSA-N 1 0 460.648 4.696 20 5 JJBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460301600 1067602384 /nfs/dbraw/zinc/60/23/84/1067602384.db2.gz LDWQAMMCBABYIA-ORYQWCPZSA-N 1 0 464.522 4.763 20 5 JJBDRO C[C@@H](C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001460347896 1067613690 /nfs/dbraw/zinc/61/36/90/1067613690.db2.gz MCWHKPPUHQGZEQ-RLWLMLJZSA-N 1 0 458.562 4.787 20 5 JJBDRO CCOc1cc(C[NH+]2CCC([C@@H]3N(C(=O)OC(C)(C)C)CC34CCC4)CC2)ccc1[N+](=O)[O-] ZINC001460685378 1067701511 /nfs/dbraw/zinc/70/15/11/1067701511.db2.gz QCVJDFIZWGYJBH-QFIPXVFZSA-N 1 0 459.587 4.995 20 5 JJBDRO CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001460758017 1067717548 /nfs/dbraw/zinc/71/75/48/1067717548.db2.gz AGUHWWBLKMTBBP-XZOQPEGZSA-N 1 0 463.509 4.531 20 5 JJBDRO CCOc1cc(C[NH2+][C@H]2CCc3ccc(C)cc32)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC001461618227 1067902901 /nfs/dbraw/zinc/90/29/01/1067902901.db2.gz XWENGDXZJRVXMD-QFIPXVFZSA-N 1 0 450.539 4.663 20 5 JJBDRO CCOc1cc(C[NH2+][C@@H]2CCc3ccc(C)cc32)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC001461618224 1067902946 /nfs/dbraw/zinc/90/29/46/1067902946.db2.gz XWENGDXZJRVXMD-JOCHJYFZSA-N 1 0 450.539 4.663 20 5 JJBDRO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001461706294 1067922401 /nfs/dbraw/zinc/92/24/01/1067922401.db2.gz DYZZSLSBQVHDOV-XMMPIXPASA-N 1 0 454.910 4.973 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C[C@H]3C[C@H](C)c4c3cccc4C)cc([N+](=O)[O-])c2)CC1 ZINC001462093326 1068000523 /nfs/dbraw/zinc/00/05/23/1068000523.db2.gz OWTSQGZXAMKHNE-VQTJNVASSA-N 1 0 450.583 4.689 20 5 JJBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC001462411185 1068068611 /nfs/dbraw/zinc/06/86/11/1068068611.db2.gz DOVCTTNHSPJHGF-XIKOKIGWSA-N 1 0 450.358 4.652 20 5 JJBDRO CCC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCOCC1 ZINC001546131106 1068070470 /nfs/dbraw/zinc/07/04/70/1068070470.db2.gz OZTJOJWHDCCZPZ-UHFFFAOYSA-N 1 0 484.645 4.617 20 5 JJBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001462575158 1068101921 /nfs/dbraw/zinc/10/19/21/1068101921.db2.gz ABCMHUWEJUHOPM-CQSZACIVSA-N 1 0 453.408 4.596 20 5 JJBDRO CCC(CC)(CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccc1 ZINC001463073562 1068277953 /nfs/dbraw/zinc/27/79/53/1068277953.db2.gz JHTHHDIFCDRGJP-CQSZACIVSA-N 1 0 457.955 4.575 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001464140210 1068631886 /nfs/dbraw/zinc/63/18/86/1068631886.db2.gz NNTPSVJDIMOALU-IUKKYPGJSA-N 1 0 458.628 4.952 20 5 JJBDRO C[NH+]1CCC(CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 ZINC001464722330 1068838443 /nfs/dbraw/zinc/83/84/43/1068838443.db2.gz DGZYHPPTFYBGIM-UHFFFAOYSA-N 1 0 456.593 4.817 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(Cl)nn1 ZINC001164414338 718881767 /nfs/dbraw/zinc/88/17/67/718881767.db2.gz RRIWLSIHTZECGQ-INIZCTEOSA-N 1 0 491.848 4.903 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c(Cl)nn2)c1 ZINC001164413946 718881769 /nfs/dbraw/zinc/88/17/69/718881769.db2.gz OWFWJCWGZWTXGE-MRXNPFEDSA-N 1 0 491.848 4.903 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(Cl)nn1 ZINC001164414339 718881835 /nfs/dbraw/zinc/88/18/35/718881835.db2.gz RRIWLSIHTZECGQ-MRXNPFEDSA-N 1 0 491.848 4.903 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCCC[C@H]2C2CC[NH2+]CC2)c(Cl)nn1 ZINC001164423072 718893357 /nfs/dbraw/zinc/89/33/57/718893357.db2.gz ZYQVJPYDSCQBKC-SFHVURJKSA-N 1 0 451.905 4.609 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)c(Cl)nn2)c1 ZINC001164422488 718893414 /nfs/dbraw/zinc/89/34/14/718893414.db2.gz VTYBWYGDBXUUJL-LJQANCHMSA-N 1 0 451.905 4.609 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)c1 ZINC001164626522 719049413 /nfs/dbraw/zinc/04/94/13/719049413.db2.gz SELUBXNTWXQDAM-REWPJTCUSA-N 1 0 485.922 4.834 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@H]4c4ccccc4)C3)c(Cl)nn2)cc1 ZINC001164618318 719049513 /nfs/dbraw/zinc/04/95/13/719049513.db2.gz AMPOTGZBQVOFFJ-NZQKXSOJSA-N 1 0 485.922 4.834 20 5 JJBDRO CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)c2c1CC[NH2+]C2 ZINC001164680998 719653413 /nfs/dbraw/zinc/65/34/13/719653413.db2.gz KZNIOCOVOGSPQK-UHFFFAOYSA-N 1 0 490.942 4.590 20 5 JJBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164710397 720154263 /nfs/dbraw/zinc/15/42/63/720154263.db2.gz AUYPULZSIBIPKJ-QHCPKHFHSA-N 1 0 473.577 4.559 20 5 JJBDRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164755509 720880266 /nfs/dbraw/zinc/88/02/66/720880266.db2.gz YBHXRUQTWDWPDU-VIZCGCQYSA-N 1 0 479.628 4.933 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164791268 721467397 /nfs/dbraw/zinc/46/73/97/721467397.db2.gz WFDCGBJLGHTCSL-FQEVSTJZSA-N 1 0 489.016 4.530 20 5 JJBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)ccc21 ZINC001164904261 721711197 /nfs/dbraw/zinc/71/11/97/721711197.db2.gz AYOYJZZGEUWWTK-JOCHJYFZSA-N 1 0 473.911 4.929 20 5 JJBDRO CCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027848 721826726 /nfs/dbraw/zinc/82/67/26/721826726.db2.gz UEOXERUIIYOSNF-AMDXRBSFSA-N 1 0 472.593 4.746 20 5 JJBDRO CCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027850 721826901 /nfs/dbraw/zinc/82/69/01/721826901.db2.gz UEOXERUIIYOSNF-KSNOWIBYSA-N 1 0 472.593 4.746 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21 ZINC001165025697 721830812 /nfs/dbraw/zinc/83/08/12/721830812.db2.gz NMJGQGFRDVJOFF-YFVAEKQCSA-N 1 0 451.958 4.928 20 5 JJBDRO Clc1ccc2ccc3ccc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)nc3c2n1 ZINC001164975760 722120292 /nfs/dbraw/zinc/12/02/92/722120292.db2.gz KTENWWZXWPWPLD-FGZHOGPDSA-N 1 0 459.981 4.559 20 5 JJBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001434884661 1064316902 /nfs/dbraw/zinc/31/69/02/1064316902.db2.gz JHABLKVQXGTNME-YOEHRIQHSA-N 1 0 453.486 4.657 20 5 JJBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001359766809 1064394394 /nfs/dbraw/zinc/39/43/94/1064394394.db2.gz USTDTMQHOYUQBJ-LEWJYISDSA-N 1 0 452.559 4.764 20 5 JJBDRO CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001359785921 1064439769 /nfs/dbraw/zinc/43/97/69/1064439769.db2.gz FEOKVDSFZRUTBX-HXUWFJFHSA-N 1 0 454.619 4.674 20 5 JJBDRO CC(C)Cc1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001359786434 1064440749 /nfs/dbraw/zinc/44/07/49/1064440749.db2.gz XLNZOAJGGNYMLA-QFIPXVFZSA-N 1 0 454.619 4.674 20 5 JJBDRO CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001359817884 1064501066 /nfs/dbraw/zinc/50/10/66/1064501066.db2.gz NHIBSQKDZBDESD-UHFFFAOYSA-N 1 0 484.645 4.555 20 5 JJBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001359851164 1064538262 /nfs/dbraw/zinc/53/82/62/1064538262.db2.gz FKDNWEMYNNBGSB-UHFFFAOYSA-N 1 0 454.477 4.821 20 5 JJBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2F)CC1 ZINC001359907194 1064623084 /nfs/dbraw/zinc/62/30/84/1064623084.db2.gz YTHABBCVYLWPAN-UHFFFAOYSA-N 1 0 455.317 4.823 20 5 JJBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001359931591 1064669182 /nfs/dbraw/zinc/66/91/82/1064669182.db2.gz QVTAMNQUYKJFDK-NVXWUHKLSA-N 1 0 456.593 4.958 20 5 JJBDRO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359933579 1064675424 /nfs/dbraw/zinc/67/54/24/1064675424.db2.gz UEHGQIOSLVBOOC-LEWJYISDSA-N 1 0 454.619 4.990 20 5 JJBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001435339075 1064709255 /nfs/dbraw/zinc/70/92/55/1064709255.db2.gz KKQICNZWFXAQFQ-NLFFAJNJSA-N 1 0 459.546 4.814 20 5 JJBDRO CC(C)CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC001359984700 1064762794 /nfs/dbraw/zinc/76/27/94/1064762794.db2.gz CKSJNPDVYOZYEF-PMACEKPBSA-N 1 0 472.634 4.612 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC001360010613 1064803358 /nfs/dbraw/zinc/80/33/58/1064803358.db2.gz SUDYUTRWGALDBJ-DNQXCXABSA-N 1 0 498.672 4.863 20 5 JJBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001360019498 1064822903 /nfs/dbraw/zinc/82/29/03/1064822903.db2.gz QYHLIBGJSQBQER-HNNXBMFYSA-N 1 0 455.502 4.685 20 5 JJBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)c1 ZINC001360028527 1064830495 /nfs/dbraw/zinc/83/04/95/1064830495.db2.gz KYAAECTZCLTEAG-UHFFFAOYSA-N 1 0 452.338 4.648 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCCO2)n1CC[NH+]1CCCCCC1 ZINC001360116246 1065000143 /nfs/dbraw/zinc/00/01/43/1065000143.db2.gz YVAGRYMHWPXDJH-QHCPKHFHSA-N 1 0 470.618 4.719 20 5 JJBDRO CN(C)c1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC001435861030 1065029939 /nfs/dbraw/zinc/02/99/39/1065029939.db2.gz NIVYSSKOHYIHRA-UFHPHHKVSA-N 1 0 473.573 4.794 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001360140676 1065038342 /nfs/dbraw/zinc/03/83/42/1065038342.db2.gz INJSQAVEBDMVJW-HSZRJFAPSA-N 1 0 491.640 4.708 20 5 JJBDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360304885 1065138652 /nfs/dbraw/zinc/13/86/52/1065138652.db2.gz FRUUJDRVYHVQKE-UHFFFAOYSA-N 1 0 497.669 4.817 20 5 JJBDRO CCC[N@H+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC001436197636 1065245774 /nfs/dbraw/zinc/24/57/74/1065245774.db2.gz LALYBBYVHFOKHV-SFHVURJKSA-N 1 0 454.752 4.824 20 5 JJBDRO CC1(C)CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001436335767 1065297547 /nfs/dbraw/zinc/29/75/47/1065297547.db2.gz HVJZUPXDLATJDG-JOCHJYFZSA-N 1 0 457.521 4.836 20 5 JJBDRO CSc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC001436630876 1065408162 /nfs/dbraw/zinc/40/81/62/1065408162.db2.gz GGMDCQFZUAJTHD-FCHUYYIVSA-N 1 0 465.550 4.854 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360599189 1065620011 /nfs/dbraw/zinc/62/00/11/1065620011.db2.gz LLZQGYVDUZSWLM-URXFXBBRSA-N 1 0 484.645 4.965 20 5 JJBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001440680440 1065965109 /nfs/dbraw/zinc/96/51/09/1065965109.db2.gz XUQAJDCPIHLSKZ-JOCHJYFZSA-N 1 0 451.548 4.802 20 5 JJBDRO Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001360932927 1066091208 /nfs/dbraw/zinc/09/12/08/1066091208.db2.gz VCDXITUKXMJRRE-KRWDZBQOSA-N 1 0 483.642 4.765 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001442308971 1066115788 /nfs/dbraw/zinc/11/57/88/1066115788.db2.gz QSNVJBFMMKRJLU-GOSISDBHSA-N 1 0 457.424 4.574 20 5 JJBDRO CC[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001546064565 1066321550 /nfs/dbraw/zinc/32/15/50/1066321550.db2.gz ROBFBKSCXZJYRG-NBGIEHNGSA-N 1 0 454.619 4.992 20 5 JJBDRO C[NH+](C)CCSc1nc(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC001443878448 1066380671 /nfs/dbraw/zinc/38/06/71/1066380671.db2.gz XVORXJDJQGQSJT-UHFFFAOYSA-N 1 0 458.565 4.679 20 5 JJBDRO Cc1cnc(C2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC(C)(C)C[NH+](C)C)CC2)s1 ZINC001492633992 1066715965 /nfs/dbraw/zinc/71/59/65/1066715965.db2.gz WTJOCYRDZORQNX-UHFFFAOYSA-N 1 0 483.642 4.590 20 5 JJBDRO Cc1csc([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001492636222 1066718839 /nfs/dbraw/zinc/71/88/39/1066718839.db2.gz AOTJSINPVBOWPB-GOSISDBHSA-N 1 0 497.669 4.979 20 5 JJBDRO COc1cc(C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])cc1F ZINC001457035504 1066749475 /nfs/dbraw/zinc/74/94/75/1066749475.db2.gz IKHVMZYOJTZIBZ-UHFFFAOYSA-N 1 0 451.498 4.517 20 5 JJBDRO C[C@@H]1[C@H](C)N(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@H+]1C ZINC001446965860 1066759304 /nfs/dbraw/zinc/75/93/04/1066759304.db2.gz IYDJVDQUSVXEFI-FHDLINQPSA-N 1 0 450.564 4.686 20 5 JJBDRO O=C(c1ccccc1)c1ccc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001458115873 1066980399 /nfs/dbraw/zinc/98/03/99/1066980399.db2.gz ZXTWQEKXVLCSGC-UHFFFAOYSA-N 1 0 458.562 4.840 20 5 JJBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC=C(Br)C1)[NH+](C)C ZINC001545804793 1067116237 /nfs/dbraw/zinc/11/62/37/1067116237.db2.gz BKIZPHDMJDOIOF-FQEVSTJZSA-N 1 0 491.434 4.709 20 5 JJBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001450946778 1067136780 /nfs/dbraw/zinc/13/67/80/1067136780.db2.gz MCXVSBHOZNABPJ-HNNXBMFYSA-N 1 0 456.593 4.912 20 5 JJBDRO COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)ccc1OCC[NH+](C)C ZINC001451676048 1067185469 /nfs/dbraw/zinc/18/54/69/1067185469.db2.gz ZGIYYFODWZZSLY-UHFFFAOYSA-N 1 0 451.479 4.588 20 5 JJBDRO CC[C@@]1(C)CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)O1 ZINC001546048121 1067285795 /nfs/dbraw/zinc/28/57/95/1067285795.db2.gz IJHNCJOACLVLMO-BWKNWUBXSA-N 1 0 470.618 4.512 20 5 JJBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccc(Br)cc1)C(C)C ZINC001459348945 1067300841 /nfs/dbraw/zinc/30/08/41/1067300841.db2.gz JSZLDCPDCXSNEZ-UHFFFAOYSA-N 1 0 450.333 4.605 20 5 JJBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001459470908 1067333071 /nfs/dbraw/zinc/33/30/71/1067333071.db2.gz VDNOQSGZWPWWIH-GOSISDBHSA-N 1 0 454.445 4.678 20 5 JJBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001459516015 1067343191 /nfs/dbraw/zinc/34/31/91/1067343191.db2.gz ZFPYOOOZMGRCTP-JPYJTQIMSA-N 1 0 456.974 4.736 20 5 JJBDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C2CC2)cc1 ZINC001459825000 1067440840 /nfs/dbraw/zinc/44/08/40/1067440840.db2.gz JELOFENQKNWNIK-SZNDQCEHSA-N 1 0 452.536 4.795 20 5 JJBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC001459835159 1067445864 /nfs/dbraw/zinc/44/58/64/1067445864.db2.gz MFNXMUXLNOQMKP-GOSISDBHSA-N 1 0 456.381 4.921 20 5 JJBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC2CCCC2)c(OC)c1 ZINC001459853245 1067457789 /nfs/dbraw/zinc/45/77/89/1067457789.db2.gz NCKUPYXYTRWUMC-CVEARBPZSA-N 1 0 457.527 4.611 20 5 JJBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)cc(Br)c1 ZINC001459964827 1067509636 /nfs/dbraw/zinc/50/96/36/1067509636.db2.gz UHKGGBKMNAGFAC-MEDUHNTESA-N 1 0 454.296 4.573 20 5 JJBDRO Cc1c(NC(=O)CC[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cccc1[N+](=O)[O-] ZINC001460035866 1067535631 /nfs/dbraw/zinc/53/56/31/1067535631.db2.gz ATNVIQQPLLLUQM-UHFFFAOYSA-N 1 0 459.546 4.882 20 5 JJBDRO C[C@H](C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001460347890 1067613788 /nfs/dbraw/zinc/61/37/88/1067613788.db2.gz MCWHKPPUHQGZEQ-HFZDXXHNSA-N 1 0 458.562 4.787 20 5 JJBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC001460513264 1067647167 /nfs/dbraw/zinc/64/71/67/1067647167.db2.gz NJLZMTMNDLCMGU-UHFFFAOYSA-N 1 0 455.559 4.617 20 5 JJBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460540920 1067653887 /nfs/dbraw/zinc/65/38/87/1067653887.db2.gz GXSHTXHRSBNTLF-YADARESESA-N 1 0 450.583 4.544 20 5 JJBDRO C[C@]1(Cc2ccc(I)cc2)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001460873402 1067739544 /nfs/dbraw/zinc/73/95/44/1067739544.db2.gz WXKLKRSOBKSQHT-LJQANCHMSA-N 1 0 454.283 4.936 20 5 JJBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460875411 1067740436 /nfs/dbraw/zinc/74/04/36/1067740436.db2.gz VEJWXKLUTFFMAY-LBNVMWSVSA-N 1 0 472.589 4.880 20 5 JJBDRO CC[NH+]1CCN(c2ccc(NCc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(C)c2)CC1 ZINC001461085276 1067778791 /nfs/dbraw/zinc/77/87/91/1067778791.db2.gz RGUOVGITBZNXFP-UHFFFAOYSA-N 1 0 450.539 4.926 20 5 JJBDRO O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001461096376 1067781403 /nfs/dbraw/zinc/78/14/03/1067781403.db2.gz MGMFUUXQOQSTPN-UHFFFAOYSA-N 1 0 451.552 4.611 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1 ZINC001461098799 1067781722 /nfs/dbraw/zinc/78/17/22/1067781722.db2.gz ZAZOSSOVEDQYGE-OAHLLOKOSA-N 1 0 452.454 4.872 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCCc4ccccc43)o2)c(Br)c1 ZINC001461181746 1067794031 /nfs/dbraw/zinc/79/40/31/1067794031.db2.gz PGRJBUNINJBNPS-JOCHJYFZSA-N 1 0 457.324 4.931 20 5 JJBDRO O=C1COc2ccccc2N1CC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001461181690 1067794196 /nfs/dbraw/zinc/79/41/96/1067794196.db2.gz QXIBXCTTWQSFDM-UHFFFAOYSA-N 1 0 453.882 4.556 20 5 JJBDRO O=C1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1c1ccc(OC(F)F)cc1 ZINC001461210201 1067800158 /nfs/dbraw/zinc/80/01/58/1067800158.db2.gz RFUNZCNLDAVRKL-HXUWFJFHSA-N 1 0 457.433 4.741 20 5 JJBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001461233476 1067805948 /nfs/dbraw/zinc/80/59/48/1067805948.db2.gz MPPCHIYBAOHLGK-OSPHWJPCSA-N 1 0 455.942 4.887 20 5 JJBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC001461268530 1067815087 /nfs/dbraw/zinc/81/50/87/1067815087.db2.gz SESOUYMJRGWPFL-LTUDEVEQSA-N 1 0 455.374 4.787 20 5 JJBDRO CC[C@]1(C[NH2+]Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC001461553887 1067887190 /nfs/dbraw/zinc/88/71/90/1067887190.db2.gz WKOGTFHPLKWYPP-OAQYLSRUSA-N 1 0 454.445 4.512 20 5 JJBDRO CC(C)c1nn(-c2ccc(Br)cc2)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001462192102 1068026217 /nfs/dbraw/zinc/02/62/17/1068026217.db2.gz VZIGTBVJFBFNOF-UHFFFAOYSA-N 1 0 458.360 4.632 20 5 JJBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001462251182 1068038165 /nfs/dbraw/zinc/03/81/65/1068038165.db2.gz ZUXQMCODWQWYQO-MJGOQNOKSA-N 1 0 473.492 4.508 20 5 JJBDRO COc1ccc([C@@H]2C[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517689 1068089321 /nfs/dbraw/zinc/08/93/21/1068089321.db2.gz IBKZYRIVAYNTSM-WIOQJERESA-N 1 0 467.566 4.999 20 5 JJBDRO COc1cccc([C@@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[NH+]2CCCC2)c1 ZINC001463558558 1068441565 /nfs/dbraw/zinc/44/15/65/1068441565.db2.gz QFUXHDZGIJLQOR-MRXNPFEDSA-N 1 0 456.301 4.616 20 5 JJBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)Cc1ccccc1 ZINC001463768315 1068518143 /nfs/dbraw/zinc/51/81/43/1068518143.db2.gz HJFXCDOVSWIWLA-HXUWFJFHSA-N 1 0 453.926 4.943 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c(Cl)nn1 ZINC001164386881 718815829 /nfs/dbraw/zinc/81/58/29/718815829.db2.gz BIDPPYZIKQIIGA-KRWDZBQOSA-N 1 0 491.848 4.761 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)c(Cl)nn2)c1 ZINC001164387332 718815981 /nfs/dbraw/zinc/81/59/81/718815981.db2.gz FTYAVSGAKORHPI-KRWDZBQOSA-N 1 0 491.848 4.761 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164413969 718881706 /nfs/dbraw/zinc/88/17/06/718881706.db2.gz PBPOOFRBGVAXPD-INIZCTEOSA-N 1 0 491.848 4.903 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)cnc2Cl)c1 ZINC001164430418 718948554 /nfs/dbraw/zinc/94/85/54/718948554.db2.gz URCNJPRJACKKJW-RTWAWAEBSA-N 1 0 456.880 4.931 20 5 JJBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4ccc5cccnc5c4n3)CC2)c2ccccc21 ZINC001164680366 719662678 /nfs/dbraw/zinc/66/26/78/719662678.db2.gz GAIUTIITCMCLKR-XMMPIXPASA-N 1 0 493.655 4.876 20 5 JJBDRO O=[N+]([O-])c1cc(-c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)ccc1Cl ZINC001164705434 719903442 /nfs/dbraw/zinc/90/34/42/719903442.db2.gz BUBQPWMWQIBQST-UHFFFAOYSA-N 1 0 485.997 4.638 20 5 JJBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)C2 ZINC001164819095 720170154 /nfs/dbraw/zinc/17/01/54/720170154.db2.gz WAPRGAJHSCCHSI-FQRUVTKNSA-N 1 0 493.633 4.760 20 5 JJBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725085 720384534 /nfs/dbraw/zinc/38/45/34/720384534.db2.gz LRYHZKAOZJOTGZ-RTBURBONSA-N 1 0 469.904 4.823 20 5 JJBDRO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1[N+](=O)[O-] ZINC001164735053 720442316 /nfs/dbraw/zinc/44/23/16/720442316.db2.gz VGQWMPZCPFMKBK-LEWJYISDSA-N 1 0 472.574 4.823 20 5 JJBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723150 720482410 /nfs/dbraw/zinc/48/24/10/720482410.db2.gz BXGJCLQPPAHDFZ-LOSJGSFVSA-N 1 0 481.556 4.970 20 5 JJBDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164838345 720726026 /nfs/dbraw/zinc/72/60/26/720726026.db2.gz IDQCMCXSGLXYHH-HSZRJFAPSA-N 1 0 458.562 4.917 20 5 JJBDRO c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164755508 720879921 /nfs/dbraw/zinc/87/99/21/720879921.db2.gz YBHXRUQTWDWPDU-PDDLMNHVSA-N 1 0 479.628 4.933 20 5 JJBDRO c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164755507 720880114 /nfs/dbraw/zinc/88/01/14/720880114.db2.gz YBHXRUQTWDWPDU-FREGXXQWSA-N 1 0 479.628 4.933 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1-c1ccccc1 ZINC001164747243 720934648 /nfs/dbraw/zinc/93/46/48/720934648.db2.gz CIHFITDWOBXYKQ-SVEHJYQDSA-N 1 0 499.615 4.807 20 5 JJBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164911842 721736917 /nfs/dbraw/zinc/73/69/17/721736917.db2.gz KXNPSQZMRIMXKO-QFIPXVFZSA-N 1 0 473.911 4.929 20 5 JJBDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165031073 721844862 /nfs/dbraw/zinc/84/48/62/721844862.db2.gz QCCFSIKUSGXFLT-UHFFFAOYSA-N 1 0 497.983 4.823 20 5 JJBDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)nn4)CC3)C2)cc1 ZINC001164939010 721929212 /nfs/dbraw/zinc/92/92/12/721929212.db2.gz GRWDBXLFAHLJLX-UHFFFAOYSA-N 1 0 473.577 4.540 20 5 JJBDRO CC(C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359738921 1064304331 /nfs/dbraw/zinc/30/43/31/1064304331.db2.gz HLHBHLBVMOPMEM-FYYLOGMGSA-N 1 0 454.619 4.846 20 5 JJBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001359766812 1064394381 /nfs/dbraw/zinc/39/43/81/1064394381.db2.gz USTDTMQHOYUQBJ-SFTDATJTSA-N 1 0 452.559 4.764 20 5 JJBDRO C[C@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001435204577 1064590124 /nfs/dbraw/zinc/59/01/24/1064590124.db2.gz QTWDDFYVBAHUMR-FXAWDEMLSA-N 1 0 450.564 4.843 20 5 JJBDRO C[C@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001435204578 1064590353 /nfs/dbraw/zinc/59/03/53/1064590353.db2.gz QTWDDFYVBAHUMR-PXNSSMCTSA-N 1 0 450.564 4.843 20 5 JJBDRO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001359933582 1064675481 /nfs/dbraw/zinc/67/54/81/1064675481.db2.gz UEHGQIOSLVBOOC-SFTDATJTSA-N 1 0 454.619 4.990 20 5 JJBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001435387766 1064735000 /nfs/dbraw/zinc/73/50/00/1064735000.db2.gz NNOQHAPXLIXLFE-UHFFFAOYSA-N 1 0 453.539 4.923 20 5 JJBDRO CC(C)CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001359984699 1064762513 /nfs/dbraw/zinc/76/25/13/1064762513.db2.gz CKSJNPDVYOZYEF-BGYRXZFFSA-N 1 0 472.634 4.612 20 5 JJBDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001360034395 1064838073 /nfs/dbraw/zinc/83/80/73/1064838073.db2.gz AFEGNTMFGFSODZ-UHFFFAOYSA-N 1 0 457.880 4.790 20 5 JJBDRO CC(C)([C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC001435854129 1065025750 /nfs/dbraw/zinc/02/57/50/1065025750.db2.gz DKHWXEGGCQOXMW-HSZRJFAPSA-N 1 0 456.493 4.629 20 5 JJBDRO CC(C)[NH+](CCn1c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nnc1C(C)(C)C)C(C)C ZINC001360134099 1065030085 /nfs/dbraw/zinc/03/00/85/1065030085.db2.gz DGNNWGXBJHWFPY-UHFFFAOYSA-N 1 0 472.634 4.650 20 5 JJBDRO CC(C)N(Cc1cccs1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001360137134 1065032995 /nfs/dbraw/zinc/03/29/95/1065032995.db2.gz NNRZTOCVAXEZGH-UHFFFAOYSA-N 1 0 498.653 4.565 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001360138802 1065034758 /nfs/dbraw/zinc/03/47/58/1065034758.db2.gz KAHPCRLLXVJRJG-HKUYNNGSSA-N 1 0 480.535 4.752 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001360138682 1065034984 /nfs/dbraw/zinc/03/49/84/1065034984.db2.gz JDPXILAHAJARAB-LJQANCHMSA-N 1 0 498.031 4.701 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(Cc2ccccn2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001360140677 1065038172 /nfs/dbraw/zinc/03/81/72/1065038172.db2.gz INJSQAVEBDMVJW-QHCPKHFHSA-N 1 0 491.640 4.708 20 5 JJBDRO C[C@H](Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC001360594988 1065606590 /nfs/dbraw/zinc/60/65/90/1065606590.db2.gz XCSZRPPINVITJJ-IBGZPJMESA-N 1 0 454.619 4.676 20 5 JJBDRO CN(C)c1cc(F)c(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001439225549 1065801373 /nfs/dbraw/zinc/80/13/73/1065801373.db2.gz QIQCOQDAPKALKT-UHFFFAOYSA-N 1 0 454.424 4.667 20 5 JJBDRO O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001439225615 1065801741 /nfs/dbraw/zinc/80/17/41/1065801741.db2.gz QSDGVHIXGCTFMH-UHFFFAOYSA-N 1 0 459.428 4.647 20 5 JJBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 ZINC001441072140 1066005817 /nfs/dbraw/zinc/00/58/17/1066005817.db2.gz YUPNLNYCJCLHFE-UHFFFAOYSA-N 1 0 450.564 4.880 20 5 JJBDRO Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001360932048 1066088932 /nfs/dbraw/zinc/08/89/32/1066088932.db2.gz DDLJUERKTFHUOL-LJQANCHMSA-N 1 0 452.559 4.512 20 5 JJBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001442357663 1066119905 /nfs/dbraw/zinc/11/99/05/1066119905.db2.gz XEGBSYCOIYDZHM-RTBURBONSA-N 1 0 450.366 4.986 20 5 JJBDRO O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001443763271 1066363831 /nfs/dbraw/zinc/36/38/31/1066363831.db2.gz CXPXQWAWDLUWRE-UHFFFAOYSA-N 1 0 459.333 4.844 20 5 JJBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2[N+](=O)[O-])C1 ZINC001444163291 1066422584 /nfs/dbraw/zinc/42/25/84/1066422584.db2.gz GOWZQSRCZZFCKC-LNRXMEIDSA-N 1 0 456.631 4.804 20 5 JJBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001456056099 1066496615 /nfs/dbraw/zinc/49/66/15/1066496615.db2.gz KUSPCNUJIPOVLS-UHFFFAOYSA-N 1 0 454.354 4.894 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2CC(C)(C)C[NH+]2CCCC2)o1 ZINC001361187431 1066512067 /nfs/dbraw/zinc/51/20/67/1066512067.db2.gz RPLFZBCJSOOXMR-UHFFFAOYSA-N 1 0 466.586 4.556 20 5 JJBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220529 1066558140 /nfs/dbraw/zinc/55/81/40/1066558140.db2.gz UOUAUHXPGGIIOD-INIZCTEOSA-N 1 0 455.864 4.775 20 5 JJBDRO C[C@@]1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456557176 1066624186 /nfs/dbraw/zinc/62/41/86/1066624186.db2.gz XFFJBTQZRFOPPK-LBNVMWSVSA-N 1 0 471.557 4.732 20 5 JJBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC001457772762 1066915601 /nfs/dbraw/zinc/91/56/01/1066915601.db2.gz GSZKEDWZUAWLGF-NHCUHLMSSA-N 1 0 456.631 4.853 20 5 JJBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CC1 ZINC001457809207 1066925452 /nfs/dbraw/zinc/92/54/52/1066925452.db2.gz WOHMZTTUFNJSIP-IBGZPJMESA-N 1 0 458.990 4.560 20 5 JJBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])C1 ZINC001458475494 1067071562 /nfs/dbraw/zinc/07/15/62/1067071562.db2.gz YHRHNAJFCFWOLI-SFHVURJKSA-N 1 0 455.356 4.659 20 5 JJBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC001459835161 1067445917 /nfs/dbraw/zinc/44/59/17/1067445917.db2.gz MFNXMUXLNOQMKP-SFHVURJKSA-N 1 0 456.381 4.921 20 5 JJBDRO CC(C)C[C@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001460053606 1067540234 /nfs/dbraw/zinc/54/02/34/1067540234.db2.gz HIDGRXGFBDSQNA-RXVVDRJESA-N 1 0 451.361 4.648 20 5 JJBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001460301631 1067602439 /nfs/dbraw/zinc/60/24/39/1067602439.db2.gz LDWQAMMCBABYIA-TYCQWZJGSA-N 1 0 464.522 4.763 20 5 JJBDRO COc1cc(C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC001460327518 1067609520 /nfs/dbraw/zinc/60/95/20/1067609520.db2.gz YPYVTGLLRZFZQC-FQEVSTJZSA-N 1 0 457.546 4.548 20 5 JJBDRO C[C@H](Nc1ccc(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC001460399818 1067626890 /nfs/dbraw/zinc/62/68/90/1067626890.db2.gz FYRWHCGJBKKCBJ-RXVVDRJESA-N 1 0 459.550 4.686 20 5 JJBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460761275 1067718885 /nfs/dbraw/zinc/71/88/85/1067718885.db2.gz ILSCXYJBHQPLMR-AYCKEJKLSA-N 1 0 479.577 4.999 20 5 JJBDRO CC(C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461111874 1067784067 /nfs/dbraw/zinc/78/40/67/1067784067.db2.gz GRJKYFOHBIJBNT-OAHLLOKOSA-N 1 0 452.374 4.544 20 5 JJBDRO O=[N+]([O-])c1ccc(Oc2ccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)cc2F)c(Cl)c1 ZINC001461237064 1067806303 /nfs/dbraw/zinc/80/63/03/1067806303.db2.gz WEWDVONAAZESDH-UHFFFAOYSA-N 1 0 457.893 4.860 20 5 JJBDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461360539 1067838511 /nfs/dbraw/zinc/83/85/11/1067838511.db2.gz WWICNZARKUBLRK-FQEVSTJZSA-N 1 0 458.580 4.717 20 5 JJBDRO COc1cc(CNC2CC[NH+](CC3CCCC3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461404934 1067847539 /nfs/dbraw/zinc/84/75/39/1067847539.db2.gz GLKIIVBZQRGFRI-UHFFFAOYSA-N 1 0 453.583 4.927 20 5 JJBDRO CN1CC[C@H](C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001461406552 1067847733 /nfs/dbraw/zinc/84/77/33/1067847733.db2.gz MVKMFQLQZLXRLG-BFUOFWGJSA-N 1 0 456.743 4.932 20 5 JJBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CN1c1ccccc1 ZINC001461442202 1067857396 /nfs/dbraw/zinc/85/73/96/1067857396.db2.gz OOWCKMKPHKFTAT-AWEZNQCLSA-N 1 0 456.296 4.512 20 5 JJBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCc2c[nH]c3ccc(F)cc23)c1 ZINC001461498905 1067876879 /nfs/dbraw/zinc/87/68/79/1067876879.db2.gz AVCATDHIPQLBLW-UHFFFAOYSA-N 1 0 453.255 4.542 20 5 JJBDRO Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461517368 1067880318 /nfs/dbraw/zinc/88/03/18/1067880318.db2.gz YBECOFRIDQFPOW-INIZCTEOSA-N 1 0 459.340 4.867 20 5 JJBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC001461582708 1067893358 /nfs/dbraw/zinc/89/33/58/1067893358.db2.gz RPPWSSXQHLLTDR-JOCHJYFZSA-N 1 0 456.340 4.948 20 5 JJBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC001461792030 1067937865 /nfs/dbraw/zinc/93/78/65/1067937865.db2.gz CGONLERAQXGIGF-NJYVYQBISA-N 1 0 452.555 4.993 20 5 JJBDRO CCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC001462107204 1068004937 /nfs/dbraw/zinc/00/49/37/1068004937.db2.gz KZCYEFDRINGPOR-LOSJGSFVSA-N 1 0 459.546 4.564 20 5 JJBDRO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001462240263 1068035962 /nfs/dbraw/zinc/03/59/62/1068035962.db2.gz ZMRLJESZYFVBTI-XMMPIXPASA-N 1 0 458.562 4.991 20 5 JJBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC001546136863 1068302043 /nfs/dbraw/zinc/30/20/43/1068302043.db2.gz VMLDPBBPCQGFDM-UHFFFAOYSA-N 1 0 456.631 4.805 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001464140218 1068631691 /nfs/dbraw/zinc/63/16/91/1068631691.db2.gz NNTPSVJDIMOALU-PMAPCBKXSA-N 1 0 458.628 4.952 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)c(Cl)nn2)cc1 ZINC001164421002 718893359 /nfs/dbraw/zinc/89/33/59/718893359.db2.gz OWKKAQCUIYCBHG-IBGZPJMESA-N 1 0 451.905 4.609 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c(Cl)nn2)cc1 ZINC001164618317 719049870 /nfs/dbraw/zinc/04/98/70/719049870.db2.gz AMPOTGZBQVOFFJ-NFBKMPQASA-N 1 0 485.922 4.834 20 5 JJBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4ccc5cccnc5c4n3)CC2)c2ccccc21 ZINC001164680362 719663107 /nfs/dbraw/zinc/66/31/07/719663107.db2.gz GAIUTIITCMCLKR-DEOSSOPVSA-N 1 0 493.655 4.876 20 5 JJBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc4ncnc(Cl)c4cc2[N+](=O)[O-])CC3)cs1 ZINC001164692054 719806859 /nfs/dbraw/zinc/80/68/59/719806859.db2.gz FKUIDDOWNDVMFE-UHFFFAOYSA-N 1 0 458.975 4.591 20 5 JJBDRO CCc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164705936 719899430 /nfs/dbraw/zinc/89/94/30/719899430.db2.gz GCWGHKVBZOHVTA-UHFFFAOYSA-N 1 0 479.606 4.547 20 5 JJBDRO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1[N+](=O)[O-] ZINC001164735055 720441579 /nfs/dbraw/zinc/44/15/79/720441579.db2.gz VGQWMPZCPFMKBK-RTWAWAEBSA-N 1 0 472.574 4.823 20 5 JJBDRO CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164733711 720548721 /nfs/dbraw/zinc/54/87/21/720548721.db2.gz PZBNDUGOEBGDOK-QGZVFWFLSA-N 1 0 495.958 4.766 20 5 JJBDRO Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838191 720716509 /nfs/dbraw/zinc/71/65/09/720716509.db2.gz HCIKLXCYQWOQRF-XMMPIXPASA-N 1 0 473.577 4.620 20 5 JJBDRO CCc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164836489 720718142 /nfs/dbraw/zinc/71/81/42/720718142.db2.gz BLIHHTOMSCBFSH-RUZDIDTESA-N 1 0 487.604 4.874 20 5 JJBDRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164747834 720880305 /nfs/dbraw/zinc/88/03/05/720880305.db2.gz BXWKBABYDVAOHD-LXFBAYGMSA-N 1 0 487.604 4.602 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164791233 721473379 /nfs/dbraw/zinc/47/33/79/721473379.db2.gz VMQDVUUJGGVTMW-QHCPKHFHSA-N 1 0 498.599 4.530 20 5 JJBDRO Clc1ccc2ccc3ccc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)nc3c2n1 ZINC001164975765 722120855 /nfs/dbraw/zinc/12/08/55/722120855.db2.gz KTENWWZXWPWPLD-YADHBBJMSA-N 1 0 459.981 4.559 20 5 JJBDRO CC(C)[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359738924 1064304287 /nfs/dbraw/zinc/30/42/87/1064304287.db2.gz HLHBHLBVMOPMEM-JTHBVZDNSA-N 1 0 454.619 4.846 20 5 JJBDRO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CCS1 ZINC001359746946 1064325187 /nfs/dbraw/zinc/32/51/87/1064325187.db2.gz PTLBUGUXNARYNF-UGKGYDQZSA-N 1 0 472.659 4.696 20 5 JJBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)cc1 ZINC001434947468 1064368177 /nfs/dbraw/zinc/36/81/77/1064368177.db2.gz LXEMGCZXBIAQHW-UHFFFAOYSA-N 1 0 456.568 4.772 20 5 JJBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001435011208 1064427191 /nfs/dbraw/zinc/42/71/91/1064427191.db2.gz BLTVDJTZZDLWSM-UHFFFAOYSA-N 1 0 456.518 4.510 20 5 JJBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001435164069 1064559941 /nfs/dbraw/zinc/55/99/41/1064559941.db2.gz VQJRHGSCAKLFLM-IAGOWNOFSA-N 1 0 457.939 4.834 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)(F)F)C1 ZINC001360007203 1064794723 /nfs/dbraw/zinc/79/47/23/1064794723.db2.gz AKGJTDITLQZIGQ-QGZVFWFLSA-N 1 0 468.524 4.610 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccn2)n1CC1([NH+](C)C)CCCC1 ZINC001360115900 1064999165 /nfs/dbraw/zinc/99/91/65/1064999165.db2.gz NOQFLGCCVKGOCD-UHFFFAOYSA-N 1 0 463.586 4.538 20 5 JJBDRO CCCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360128780 1065023809 /nfs/dbraw/zinc/02/38/09/1065023809.db2.gz CXZOFEILKDHGFI-RXVVDRJESA-N 1 0 459.974 4.919 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001360138805 1065035034 /nfs/dbraw/zinc/03/50/34/1065035034.db2.gz KAHPCRLLXVJRJG-PKOBYXMFSA-N 1 0 480.535 4.752 20 5 JJBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2nc(C(C)(C)C)cs2)CC1 ZINC001360143482 1065043613 /nfs/dbraw/zinc/04/36/13/1065043613.db2.gz HMLRWBYSRCCVFA-UHFFFAOYSA-N 1 0 497.669 4.771 20 5 JJBDRO CC(C)OC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001360363737 1065219843 /nfs/dbraw/zinc/21/98/43/1065219843.db2.gz CQBPCLOBVNYPML-FQEVSTJZSA-N 1 0 470.618 4.512 20 5 JJBDRO CC(C)OC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001360363739 1065219920 /nfs/dbraw/zinc/21/99/20/1065219920.db2.gz CQBPCLOBVNYPML-HXUWFJFHSA-N 1 0 470.618 4.512 20 5 JJBDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001436435722 1065318941 /nfs/dbraw/zinc/31/89/41/1065318941.db2.gz YREBXCOOLPEOIN-JOCHJYFZSA-N 1 0 455.624 4.879 20 5 JJBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCCc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001439685630 1065857220 /nfs/dbraw/zinc/85/72/20/1065857220.db2.gz XDSYUYMSXFZPOW-UHFFFAOYSA-N 1 0 451.354 4.615 20 5 JJBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001440680443 1065965077 /nfs/dbraw/zinc/96/50/77/1065965077.db2.gz XUQAJDCPIHLSKZ-QFIPXVFZSA-N 1 0 451.548 4.802 20 5 JJBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(C)c2)cc([N+](=O)[O-])c1 ZINC001360852776 1065967874 /nfs/dbraw/zinc/96/78/74/1065967874.db2.gz OYZWFHXEGHAMTC-LOSJGSFVSA-N 1 0 473.529 4.544 20 5 JJBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001454013323 1066235149 /nfs/dbraw/zinc/23/51/49/1066235149.db2.gz RVGQBKSEDAYWMG-HNNXBMFYSA-N 1 0 453.486 4.979 20 5 JJBDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001454163570 1066250646 /nfs/dbraw/zinc/25/06/46/1066250646.db2.gz DJZRRBBGTZXWSU-LEWJYISDSA-N 1 0 459.930 4.652 20 5 JJBDRO CC[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001546064563 1066321385 /nfs/dbraw/zinc/32/13/85/1066321385.db2.gz ROBFBKSCXZJYRG-CJFMBICVSA-N 1 0 454.619 4.992 20 5 JJBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001456767999 1066683899 /nfs/dbraw/zinc/68/38/99/1066683899.db2.gz CZNQLWMWOAEBIF-WZONZLPQSA-N 1 0 456.612 4.706 20 5 JJBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001446965869 1066759779 /nfs/dbraw/zinc/75/97/79/1066759779.db2.gz IYDJVDQUSVXEFI-HMVXKNIBSA-N 1 0 450.564 4.686 20 5 JJBDRO CS[C@H]1CN(C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC001447106806 1066773833 /nfs/dbraw/zinc/77/38/33/1066773833.db2.gz QWSQMXIHLZXEHJ-WMZOPIPTSA-N 1 0 452.001 4.517 20 5 JJBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457528237 1066852364 /nfs/dbraw/zinc/85/23/64/1066852364.db2.gz AZRFHNTZYFAHPU-UHFFFAOYSA-N 1 0 452.736 4.537 20 5 JJBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cc2[N+](=O)[O-])C1 ZINC001458040144 1066959425 /nfs/dbraw/zinc/95/94/25/1066959425.db2.gz GEKBXNWSCDLFLC-WOJBJXKFSA-N 1 0 450.583 4.968 20 5 JJBDRO O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1OCc1cccc(C[NH+]2CCCCC2)c1 ZINC001459167981 1067265545 /nfs/dbraw/zinc/26/55/45/1067265545.db2.gz ILVPKPQDSUMZGK-UHFFFAOYSA-N 1 0 450.289 4.830 20 5 JJBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC001459470917 1067333044 /nfs/dbraw/zinc/33/30/44/1067333044.db2.gz VDNOQSGZWPWWIH-SFHVURJKSA-N 1 0 454.445 4.678 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC001459867001 1067464615 /nfs/dbraw/zinc/46/46/15/1067464615.db2.gz FDKBPKDDGUUJQW-IBGZPJMESA-N 1 0 457.836 4.955 20 5 JJBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1cc(F)cc(Br)c1 ZINC001459964816 1067509662 /nfs/dbraw/zinc/50/96/62/1067509662.db2.gz UHKGGBKMNAGFAC-BDJLRTHQSA-N 1 0 454.296 4.573 20 5 JJBDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC001460075460 1067547767 /nfs/dbraw/zinc/54/77/67/1067547767.db2.gz MYPRPMCNFVKELA-UHFFFAOYSA-N 1 0 455.845 4.575 20 5 JJBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c([N+](=O)[O-])c1 ZINC001460084419 1067549810 /nfs/dbraw/zinc/54/98/10/1067549810.db2.gz BHIORGPSBDRVJF-MRXNPFEDSA-N 1 0 451.445 4.830 20 5 JJBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 ZINC001460098761 1067554831 /nfs/dbraw/zinc/55/48/31/1067554831.db2.gz JAKHMOQVMOTXDN-FQEVSTJZSA-N 1 0 452.429 4.658 20 5 JJBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)c1 ZINC001460135053 1067561576 /nfs/dbraw/zinc/56/15/76/1067561576.db2.gz LTRWAVAUYOCHKJ-CQSZACIVSA-N 1 0 456.711 4.917 20 5 JJBDRO COc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC001460410419 1067629854 /nfs/dbraw/zinc/62/98/54/1067629854.db2.gz ODSSJIKFNJJCSX-UYAOXDASSA-N 1 0 477.508 4.764 20 5 JJBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460540903 1067653846 /nfs/dbraw/zinc/65/38/46/1067653846.db2.gz GXSHTXHRSBNTLF-CYFREDJKSA-N 1 0 450.583 4.544 20 5 JJBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460540914 1067653893 /nfs/dbraw/zinc/65/38/93/1067653893.db2.gz GXSHTXHRSBNTLF-NTKDMRAZSA-N 1 0 450.583 4.544 20 5 JJBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460627811 1067677406 /nfs/dbraw/zinc/67/74/06/1067677406.db2.gz KJHGVADQBASDMV-OAHLLOKOSA-N 1 0 453.244 4.792 20 5 JJBDRO CC(C)(C)OC(=O)NCC1(c2ccccc2)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001460865510 1067737426 /nfs/dbraw/zinc/73/74/26/1067737426.db2.gz WXVYGXICTPXDOF-UHFFFAOYSA-N 1 0 455.555 4.532 20 5 JJBDRO CC(C)N(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001461111871 1067784172 /nfs/dbraw/zinc/78/41/72/1067784172.db2.gz GRJKYFOHBIJBNT-HNNXBMFYSA-N 1 0 452.374 4.544 20 5 JJBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)o1 ZINC001461231647 1067805454 /nfs/dbraw/zinc/80/54/54/1067805454.db2.gz PPYJXQKBYYOLQA-HXUWFJFHSA-N 1 0 455.942 4.541 20 5 JJBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001461233458 1067805805 /nfs/dbraw/zinc/80/58/05/1067805805.db2.gz MPPCHIYBAOHLGK-BXKMTCNYSA-N 1 0 455.942 4.887 20 5 JJBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC001461458368 1067861925 /nfs/dbraw/zinc/86/19/25/1067861925.db2.gz DOWQDQXDEPDEQY-FQEVSTJZSA-N 1 0 450.470 4.922 20 5 JJBDRO COc1ccc(-c2ccc(C[NH2+]CCC3=CCN(C(=O)OC(C)(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC001461477397 1067869193 /nfs/dbraw/zinc/86/91/93/1067869193.db2.gz CDCGEBSMIKIJAK-UHFFFAOYSA-N 1 0 457.527 4.910 20 5 JJBDRO CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001461869463 1067950791 /nfs/dbraw/zinc/95/07/91/1067950791.db2.gz JKZOURVFVRRASR-KRWDZBQOSA-N 1 0 454.962 4.813 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C[C@@H]3C[C@H](C)c4c3cccc4C)cc([N+](=O)[O-])c2)CC1 ZINC001462093318 1068000425 /nfs/dbraw/zinc/00/04/25/1068000425.db2.gz OWTSQGZXAMKHNE-PMACEKPBSA-N 1 0 450.583 4.689 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C[C@@H]3C[C@@H](C)c4c3cccc4C)cc([N+](=O)[O-])c2)CC1 ZINC001462093321 1068000840 /nfs/dbraw/zinc/00/08/40/1068000840.db2.gz OWTSQGZXAMKHNE-UXHICEINSA-N 1 0 450.583 4.689 20 5 JJBDRO C[NH+]1CCC(n2cc(NC(=O)c3ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc3)cn2)CC1 ZINC001462143845 1068014536 /nfs/dbraw/zinc/01/45/36/1068014536.db2.gz LGDCJERRIARFJF-UHFFFAOYSA-N 1 0 455.902 4.756 20 5 JJBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC001462411183 1068068881 /nfs/dbraw/zinc/06/88/81/1068068881.db2.gz DOVCTTNHSPJHGF-SGTLLEGYSA-N 1 0 450.358 4.652 20 5 JJBDRO COc1cccc([C@@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC001463765012 1068517051 /nfs/dbraw/zinc/51/70/51/1068517051.db2.gz HYXTZPXKDFTBCK-OAQYLSRUSA-N 1 0 451.548 4.787 20 5 JJBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001464644664 1068809325 /nfs/dbraw/zinc/80/93/25/1068809325.db2.gz VNEWTKJPBSONHY-UHFFFAOYSA-N 1 0 450.244 4.523 20 5 JJBDRO Cc1ccc(-c2nc3sccc3c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1[N+](=O)[O-] ZINC001164735054 720442460 /nfs/dbraw/zinc/44/24/60/720442460.db2.gz VGQWMPZCPFMKBK-NHCUHLMSSA-N 1 0 472.574 4.823 20 5 JJBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164837596 720676767 /nfs/dbraw/zinc/67/67/67/720676767.db2.gz DGFQWRLRUSJGOO-INIZCTEOSA-N 1 0 451.354 4.557 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164791232 721472584 /nfs/dbraw/zinc/47/25/84/721472584.db2.gz VMQDVUUJGGVTMW-HSZRJFAPSA-N 1 0 498.599 4.530 20 5 JJBDRO Cc1ccc(-c2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1[N+](=O)[O-] ZINC001164795449 721498573 /nfs/dbraw/zinc/49/85/73/721498573.db2.gz HHZYLVWUPWFSHT-UHFFFAOYSA-N 1 0 458.566 4.636 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001165023951 721824285 /nfs/dbraw/zinc/82/42/85/721824285.db2.gz IWGIVERAPYDCSF-BSLALVQMSA-N 1 0 451.958 4.928 20 5 JJBDRO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@H]2C)CCS1 ZINC001359746944 1064324917 /nfs/dbraw/zinc/32/49/17/1064324917.db2.gz PTLBUGUXNARYNF-KNQAVFIVSA-N 1 0 472.659 4.696 20 5 JJBDRO CC(C)[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCCC[C@H]2C)CCS1 ZINC001359746943 1064325076 /nfs/dbraw/zinc/32/50/76/1064325076.db2.gz PTLBUGUXNARYNF-DENIHFKCSA-N 1 0 472.659 4.696 20 5 JJBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1Cc1ccccc1 ZINC001435204579 1064590308 /nfs/dbraw/zinc/59/03/08/1064590308.db2.gz QTWDDFYVBAHUMR-XLIONFOSSA-N 1 0 450.564 4.843 20 5 JJBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001359931593 1064669324 /nfs/dbraw/zinc/66/93/24/1064669324.db2.gz QVTAMNQUYKJFDK-WBVHZDCISA-N 1 0 456.593 4.958 20 5 JJBDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001359948731 1064700545 /nfs/dbraw/zinc/70/05/45/1064700545.db2.gz ZZHCXFRIRDFIQK-UHFFFAOYSA-N 1 0 486.686 4.943 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001360138804 1065034938 /nfs/dbraw/zinc/03/49/38/1065034938.db2.gz KAHPCRLLXVJRJG-MJGOQNOKSA-N 1 0 480.535 4.752 20 5 JJBDRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1 ZINC001435927774 1065067623 /nfs/dbraw/zinc/06/76/23/1065067623.db2.gz SJRCKTPKCKQHSL-BJKOFHAPSA-N 1 0 459.546 4.874 20 5 JJBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001436499766 1065335464 /nfs/dbraw/zinc/33/54/64/1065335464.db2.gz LIDMUNWIKWKVCJ-INIZCTEOSA-N 1 0 453.486 4.615 20 5 JJBDRO C[C@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001360459345 1065361065 /nfs/dbraw/zinc/36/10/65/1065361065.db2.gz HPKPOCQJLBKFAC-ZFWWWQNUSA-N 1 0 452.374 4.544 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001360599190 1065619924 /nfs/dbraw/zinc/61/99/24/1065619924.db2.gz LLZQGYVDUZSWLM-XUZZJYLKSA-N 1 0 484.645 4.965 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3ccc(-c4cccs4)s3)cc([N+](=O)[O-])c2)CC1 ZINC001438316380 1065707915 /nfs/dbraw/zinc/70/79/15/1065707915.db2.gz SOAGFKJGESNRIY-UHFFFAOYSA-N 1 0 456.593 4.803 20 5 JJBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC001441624191 1066055380 /nfs/dbraw/zinc/05/53/80/1066055380.db2.gz OYVFUQWDNWBHDH-BGYRXZFFSA-N 1 0 452.599 4.849 20 5 JJBDRO COc1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001454163591 1066250632 /nfs/dbraw/zinc/25/06/32/1066250632.db2.gz DJZRRBBGTZXWSU-RTWAWAEBSA-N 1 0 459.930 4.652 20 5 JJBDRO Cc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cs1 ZINC001361071013 1066310811 /nfs/dbraw/zinc/31/08/11/1066310811.db2.gz BJDJNJOUPHUIAZ-UHFFFAOYSA-N 1 0 454.600 4.582 20 5 JJBDRO CC[N@H+](CCNC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(C)C ZINC001443445021 1066311899 /nfs/dbraw/zinc/31/18/99/1066311899.db2.gz UCJHLEAPVNJMOD-XDJHFCHBSA-N 1 0 452.580 4.982 20 5 JJBDRO C[N@H+](CCOc1ccccc1)Cc1ccc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC001455809821 1066435206 /nfs/dbraw/zinc/43/52/06/1066435206.db2.gz GKYYPHDMODZLOA-UHFFFAOYSA-N 1 0 458.518 4.768 20 5 JJBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001456071029 1066502224 /nfs/dbraw/zinc/50/22/24/1066502224.db2.gz GSNIUDBEJRKVPK-UHFFFAOYSA-N 1 0 450.366 4.959 20 5 JJBDRO Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001361249904 1066595156 /nfs/dbraw/zinc/59/51/56/1066595156.db2.gz JSGCZNYTCQYUTI-NRFANRHFSA-N 1 0 466.567 4.756 20 5 JJBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001446965864 1066759923 /nfs/dbraw/zinc/75/99/23/1066759923.db2.gz IYDJVDQUSVXEFI-GORXNEINSA-N 1 0 450.564 4.686 20 5 JJBDRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001545819469 1067154710 /nfs/dbraw/zinc/15/47/10/1067154710.db2.gz GKODRDWRSRNBIK-HSZRJFAPSA-N 1 0 482.654 4.768 20 5 JJBDRO C[C@@H](SCC[N@H+](C)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459046823 1067238317 /nfs/dbraw/zinc/23/83/17/1067238317.db2.gz NPNMDYCODGEWJI-MRXNPFEDSA-N 1 0 456.593 4.911 20 5 JJBDRO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@@H+]1Cc1ccccc1 ZINC001459607397 1067362314 /nfs/dbraw/zinc/36/23/14/1067362314.db2.gz XOXGSBXWOCKUMM-APWZRJJASA-N 1 0 455.946 4.783 20 5 JJBDRO C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC001459719863 1067395259 /nfs/dbraw/zinc/39/52/59/1067395259.db2.gz MEFVUMXQJLIFIA-XOBRGWDASA-N 1 0 456.381 4.921 20 5 JJBDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C2CC2)cc1 ZINC001459824989 1067440817 /nfs/dbraw/zinc/44/08/17/1067440817.db2.gz JELOFENQKNWNIK-QKKBWIMNSA-N 1 0 452.536 4.795 20 5 JJBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001459916836 1067490023 /nfs/dbraw/zinc/49/00/23/1067490023.db2.gz OMXKVTPNCATDOH-GJZGRUSLSA-N 1 0 452.351 4.637 20 5 JJBDRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC001460006429 1067523931 /nfs/dbraw/zinc/52/39/31/1067523931.db2.gz RLVBREAICCQCAP-UHFFFAOYSA-N 1 0 458.356 4.542 20 5 JJBDRO COc1ccc(OCC[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001460018334 1067529637 /nfs/dbraw/zinc/52/96/37/1067529637.db2.gz QHMCGYVYQFBAFY-UHFFFAOYSA-N 1 0 458.408 4.842 20 5 JJBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 ZINC001460098763 1067554849 /nfs/dbraw/zinc/55/48/49/1067554849.db2.gz JAKHMOQVMOTXDN-HXUWFJFHSA-N 1 0 452.429 4.658 20 5 JJBDRO COc1cc(C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460104303 1067555872 /nfs/dbraw/zinc/55/58/72/1067555872.db2.gz QTBPEZRVCWIERC-UHFFFAOYSA-N 1 0 456.436 4.980 20 5 JJBDRO COc1cc(C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC001460327523 1067609440 /nfs/dbraw/zinc/60/94/40/1067609440.db2.gz YPYVTGLLRZFZQC-HXUWFJFHSA-N 1 0 457.546 4.548 20 5 JJBDRO C[C@H](C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001460347892 1067613750 /nfs/dbraw/zinc/61/37/50/1067613750.db2.gz MCWHKPPUHQGZEQ-LVXARBLLSA-N 1 0 458.562 4.787 20 5 JJBDRO C[C@H](Nc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC001460399806 1067626987 /nfs/dbraw/zinc/62/69/87/1067626987.db2.gz FYRWHCGJBKKCBJ-GHTZIAJQSA-N 1 0 459.550 4.686 20 5 JJBDRO C[C@@H](Nc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC001460399823 1067626992 /nfs/dbraw/zinc/62/69/92/1067626992.db2.gz FYRWHCGJBKKCBJ-WIYYLYMNSA-N 1 0 459.550 4.686 20 5 JJBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001460478709 1067641778 /nfs/dbraw/zinc/64/17/78/1067641778.db2.gz MWYVPYHMIAQEPY-HNNXBMFYSA-N 1 0 451.445 4.865 20 5 JJBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001460746753 1067714436 /nfs/dbraw/zinc/71/44/36/1067714436.db2.gz CZQZEQCYVMFLGI-HNNXBMFYSA-N 1 0 452.898 4.790 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCCc4ccccc43)o2)c(Br)c1 ZINC001461181749 1067793843 /nfs/dbraw/zinc/79/38/43/1067793843.db2.gz PGRJBUNINJBNPS-QFIPXVFZSA-N 1 0 457.324 4.931 20 5 JJBDRO O=C1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1c1ccc(OC(F)F)cc1 ZINC001461210200 1067800259 /nfs/dbraw/zinc/80/02/59/1067800259.db2.gz RFUNZCNLDAVRKL-FQEVSTJZSA-N 1 0 457.433 4.741 20 5 JJBDRO Cc1ccc(Sc2ccc(C[NH2+][C@@H]3CCCN(CC(F)(F)F)C3=O)cc2[N+](=O)[O-])cc1 ZINC001461358437 1067838022 /nfs/dbraw/zinc/83/80/22/1067838022.db2.gz PPWUEPGWJOJDEU-QGZVFWFLSA-N 1 0 453.486 4.697 20 5 JJBDRO Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461517369 1067880511 /nfs/dbraw/zinc/88/05/11/1067880511.db2.gz YBECOFRIDQFPOW-MRXNPFEDSA-N 1 0 459.340 4.867 20 5 JJBDRO COc1cccc([C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)OC)c1 ZINC001461656791 1067911253 /nfs/dbraw/zinc/91/12/53/1067911253.db2.gz BUZQIIOKNNKYAC-RUZDIDTESA-N 1 0 458.518 4.933 20 5 JJBDRO COc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC001461687971 1067918593 /nfs/dbraw/zinc/91/85/93/1067918593.db2.gz PPLDXOJSVMWRHH-DEOSSOPVSA-N 1 0 456.926 4.833 20 5 JJBDRO O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461709018 1067922806 /nfs/dbraw/zinc/92/28/06/1067922806.db2.gz IZJHNDTWWFVOTO-LJQANCHMSA-N 1 0 456.296 4.660 20 5 JJBDRO Nc1c(Br)cc(Br)cc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001461871519 1067951649 /nfs/dbraw/zinc/95/16/49/1067951649.db2.gz QYQFVVQYIJWTIL-UHFFFAOYSA-N 1 0 455.150 4.867 20 5 JJBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)cc1 ZINC001461922013 1067961790 /nfs/dbraw/zinc/96/17/90/1067961790.db2.gz RWDVIAOMIGYLLX-UHFFFAOYSA-N 1 0 457.328 4.791 20 5 JJBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)c3sc4cc(F)ccc4c3C)cc([N+](=O)[O-])c2)CC1 ZINC001462096025 1068000973 /nfs/dbraw/zinc/00/09/73/1068000973.db2.gz VJPAZYSKWRPAGA-UHFFFAOYSA-N 1 0 456.543 4.676 20 5 JJBDRO COc1ccc([C@@H]2C[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC001462517691 1068089799 /nfs/dbraw/zinc/08/97/99/1068089799.db2.gz IBKZYRIVAYNTSM-ZOYNPUSRSA-N 1 0 467.566 4.999 20 5 JJBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001462575151 1068101809 /nfs/dbraw/zinc/10/18/09/1068101809.db2.gz ABCMHUWEJUHOPM-AWEZNQCLSA-N 1 0 453.408 4.596 20 5 JJBDRO O=C(Nc1ccc(OC(=O)C2C[NH+](C3CCCCC3)C2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC001463741958 1068509109 /nfs/dbraw/zinc/50/91/09/1068509109.db2.gz MVHFUVGSDMDPCH-UHFFFAOYSA-N 1 0 457.914 4.670 20 5 JJBDRO COc1cccc([C@H](CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC001463764998 1068517020 /nfs/dbraw/zinc/51/70/20/1068517020.db2.gz HYXTZPXKDFTBCK-NRFANRHFSA-N 1 0 451.548 4.787 20 5 JJBDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC001463918712 1068565689 /nfs/dbraw/zinc/56/56/89/1068565689.db2.gz WYKUUXLVDSZZAG-LIRRHRJNSA-N 1 0 454.354 4.868 20 5 JJBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725084 720385459 /nfs/dbraw/zinc/38/54/59/720385459.db2.gz LRYHZKAOZJOTGZ-RBUKOAKNSA-N 1 0 469.904 4.823 20 5 JJBDRO Cc1ccc(-c2nc3sccc3c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1[N+](=O)[O-] ZINC001164735056 720441929 /nfs/dbraw/zinc/44/19/29/720441929.db2.gz VGQWMPZCPFMKBK-SFTDATJTSA-N 1 0 472.574 4.823 20 5 JJBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723141 720483835 /nfs/dbraw/zinc/48/38/35/720483835.db2.gz BXGJCLQPPAHDFZ-DQEYMECFSA-N 1 0 481.556 4.970 20 5 JJBDRO COc1cc2ncnc(N3CCC4(CC3)CC[NH+](Cc3ccc(C)cc3)CC4)c2cc1[N+](=O)[O-] ZINC001164759481 721044111 /nfs/dbraw/zinc/04/41/11/721044111.db2.gz MYRZAUKWZDIWTF-UHFFFAOYSA-N 1 0 461.566 4.738 20 5 JJBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164787739 721366917 /nfs/dbraw/zinc/36/69/17/721366917.db2.gz ZPNLTTPAUHOBTR-DEOSSOPVSA-N 1 0 485.972 4.520 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1-c1ccc(F)cc1 ZINC001164912598 721736906 /nfs/dbraw/zinc/73/69/06/721736906.db2.gz OHVWANBJYWUNSK-DEOSSOPVSA-N 1 0 483.494 4.929 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001165023958 721824246 /nfs/dbraw/zinc/82/42/46/721824246.db2.gz IWGIVERAPYDCSF-XUEUYAKLSA-N 1 0 451.958 4.928 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC001165030532 721828376 /nfs/dbraw/zinc/82/83/76/721828376.db2.gz ZQUAEENBKCHRQI-QMHWCDLVSA-N 1 0 478.984 4.837 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001165029002 721830976 /nfs/dbraw/zinc/83/09/76/721830976.db2.gz WGYUDSVJHLQVQV-UEVCKROQSA-N 1 0 461.541 4.928 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001165025695 721831065 /nfs/dbraw/zinc/83/10/65/721831065.db2.gz NMJGQGFRDVJOFF-SLYNCCJLSA-N 1 0 451.958 4.928 20 5 JJBDRO CC(C)[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001359738922 1064304347 /nfs/dbraw/zinc/30/43/47/1064304347.db2.gz HLHBHLBVMOPMEM-GGAORHGYSA-N 1 0 454.619 4.846 20 5 JJBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001434919267 1064346380 /nfs/dbraw/zinc/34/63/80/1064346380.db2.gz YXHJNPAGBVJUGO-UHFFFAOYSA-N 1 0 452.001 4.836 20 5 JJBDRO CC(C)Cc1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001359811761 1064487784 /nfs/dbraw/zinc/48/77/84/1064487784.db2.gz YHAUCOASNXLMQY-HXUWFJFHSA-N 1 0 494.644 4.552 20 5 JJBDRO CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001359817323 1064499981 /nfs/dbraw/zinc/49/99/81/1064499981.db2.gz BFZSMPKDRFOMEW-JOCHJYFZSA-N 1 0 498.653 4.797 20 5 JJBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001435204778 1064590750 /nfs/dbraw/zinc/59/07/50/1064590750.db2.gz AKMQQFMRKZVPRG-NRFANRHFSA-N 1 0 450.583 4.568 20 5 JJBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001359931592 1064669313 /nfs/dbraw/zinc/66/93/13/1064669313.db2.gz QVTAMNQUYKJFDK-RDJZCZTQSA-N 1 0 456.593 4.958 20 5 JJBDRO CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001435296701 1064672911 /nfs/dbraw/zinc/67/29/11/1064672911.db2.gz IRNRRGWQEGQEKT-ATIYNZHBSA-N 1 0 465.594 4.759 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001360138681 1065034830 /nfs/dbraw/zinc/03/48/30/1065034830.db2.gz JDPXILAHAJARAB-IBGZPJMESA-N 1 0 498.031 4.701 20 5 JJBDRO C[C@]1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC001436095032 1065176495 /nfs/dbraw/zinc/17/64/95/1065176495.db2.gz HILNVUDJCBIEBJ-HHHXNRCGSA-N 1 0 458.562 4.849 20 5 JJBDRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC001360594989 1065606706 /nfs/dbraw/zinc/60/67/06/1065606706.db2.gz XCSZRPPINVITJJ-LJQANCHMSA-N 1 0 454.619 4.676 20 5 JJBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001438060278 1065662020 /nfs/dbraw/zinc/66/20/20/1065662020.db2.gz KOOFEHWBJFRCOC-QGZVFWFLSA-N 1 0 459.974 4.917 20 5 JJBDRO Cc1nc([C@H]2CCCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001360893995 1066046120 /nfs/dbraw/zinc/04/61/20/1066046120.db2.gz CZSHTSVCXBJQME-FQEVSTJZSA-N 1 0 483.642 4.651 20 5 JJBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001442357655 1066119891 /nfs/dbraw/zinc/11/98/91/1066119891.db2.gz XEGBSYCOIYDZHM-MOPGFXCFSA-N 1 0 450.366 4.986 20 5 JJBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001443445500 1066311752 /nfs/dbraw/zinc/31/17/52/1066311752.db2.gz YLTWZVFVJUMKOY-SQFNAUOLSA-N 1 0 452.580 4.982 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001361180647 1066501198 /nfs/dbraw/zinc/50/11/98/1066501198.db2.gz DETUGFCWVJFZLY-IQGLISFBSA-N 1 0 466.586 4.902 20 5 JJBDRO C[C@@H]1C[C@@H](NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@@H+]1C ZINC001445059838 1066535932 /nfs/dbraw/zinc/53/59/32/1066535932.db2.gz YLGBRJNWAZDLQM-USSWQLSGSA-N 1 0 450.564 4.734 20 5 JJBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001445086748 1066538159 /nfs/dbraw/zinc/53/81/59/1066538159.db2.gz YAIWQBACXGVMJN-DEOSSOPVSA-N 1 0 457.958 4.532 20 5 JJBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001445086769 1066538178 /nfs/dbraw/zinc/53/81/78/1066538178.db2.gz YAIWQBACXGVMJN-XMMPIXPASA-N 1 0 457.958 4.532 20 5 JJBDRO O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001456256051 1066547952 /nfs/dbraw/zinc/54/79/52/1066547952.db2.gz NAFCVXNEJPEAEC-UHFFFAOYSA-N 1 0 450.583 4.891 20 5 JJBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001456767986 1066684004 /nfs/dbraw/zinc/68/40/04/1066684004.db2.gz CZNQLWMWOAEBIF-FDDCHVKYSA-N 1 0 456.612 4.706 20 5 JJBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cc2[N+](=O)[O-])C1 ZINC001458040135 1066959578 /nfs/dbraw/zinc/95/95/78/1066959578.db2.gz GEKBXNWSCDLFLC-BGYRXZFFSA-N 1 0 450.583 4.968 20 5 JJBDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)c1C ZINC001458172818 1066995889 /nfs/dbraw/zinc/99/58/89/1066995889.db2.gz XWPZIUUYXYGFAQ-UHFFFAOYSA-N 1 0 452.477 4.735 20 5 JJBDRO CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)C)CC1)SC ZINC001545772845 1067062317 /nfs/dbraw/zinc/06/23/17/1067062317.db2.gz OHWRYISORJXDIX-UHFFFAOYSA-N 1 0 460.648 4.696 20 5 JJBDRO CC(C)Cc1ccc([C@H](CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[NH+](C)C)cc1 ZINC001450806844 1067124008 /nfs/dbraw/zinc/12/40/08/1067124008.db2.gz VDRPAIVHMFHUQX-QFIPXVFZSA-N 1 0 452.580 4.950 20 5 JJBDRO Cc1csc(Sc2ccc(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2[N+](=O)[O-])n1 ZINC001459254075 1067278362 /nfs/dbraw/zinc/27/83/62/1067278362.db2.gz FHUGLARJMBJXSA-QRWLVFNGSA-N 1 0 456.593 4.932 20 5 JJBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001459488753 1067337208 /nfs/dbraw/zinc/33/72/08/1067337208.db2.gz NLUDCUAHYYQLCZ-OAHLLOKOSA-N 1 0 452.351 4.504 20 5 JJBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001459516017 1067342969 /nfs/dbraw/zinc/34/29/69/1067342969.db2.gz ZFPYOOOZMGRCTP-WZONZLPQSA-N 1 0 456.974 4.736 20 5 JJBDRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001459722988 1067395827 /nfs/dbraw/zinc/39/58/27/1067395827.db2.gz UQWYRNVENIUFNT-JLTOFOAXSA-N 1 0 456.381 4.921 20 5 JJBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC001459790281 1067423471 /nfs/dbraw/zinc/42/34/71/1067423471.db2.gz FBRFRVOFKDGTJS-HXUWFJFHSA-N 1 0 452.599 4.514 20 5 JJBDRO O=C(C[N@@H+](Cc1cccc(Br)c1)CC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460058343 1067541401 /nfs/dbraw/zinc/54/14/01/1067541401.db2.gz DPSGIASLDZCUDO-UHFFFAOYSA-N 1 0 452.736 4.861 20 5 JJBDRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC001460388432 1067624223 /nfs/dbraw/zinc/62/42/23/1067624223.db2.gz IAKLNFXBWWXVSR-SFTDATJTSA-N 1 0 459.518 4.625 20 5 JJBDRO COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC001460390750 1067624462 /nfs/dbraw/zinc/62/44/62/1067624462.db2.gz MMJYNCLTFHATTK-UNMCSNQZSA-N 1 0 473.545 4.668 20 5 JJBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001460478717 1067641769 /nfs/dbraw/zinc/64/17/69/1067641769.db2.gz MWYVPYHMIAQEPY-OAHLLOKOSA-N 1 0 451.445 4.865 20 5 JJBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460540909 1067653868 /nfs/dbraw/zinc/65/38/68/1067653868.db2.gz GXSHTXHRSBNTLF-DVECYGJZSA-N 1 0 450.583 4.544 20 5 JJBDRO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460765640 1067719793 /nfs/dbraw/zinc/71/97/93/1067719793.db2.gz QZUHEZIQAMFRBL-FCHUYYIVSA-N 1 0 465.550 4.610 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001460814156 1067728518 /nfs/dbraw/zinc/72/85/18/1067728518.db2.gz JEGGXCSGGUVGRZ-HNNXBMFYSA-N 1 0 451.445 4.617 20 5 JJBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC001461268506 1067814330 /nfs/dbraw/zinc/81/43/30/1067814330.db2.gz SESOUYMJRGWPFL-GZVCGHTCSA-N 1 0 455.374 4.787 20 5 JJBDRO O=C1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1Cc1ccccc1C(F)(F)F ZINC001461406156 1067847618 /nfs/dbraw/zinc/84/76/18/1067847618.db2.gz FLCINNUPOTWAGR-KRWDZBQOSA-N 1 0 459.424 4.764 20 5 JJBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC001461458372 1067861833 /nfs/dbraw/zinc/86/18/33/1067861833.db2.gz DOWQDQXDEPDEQY-HXUWFJFHSA-N 1 0 450.470 4.922 20 5 JJBDRO COc1ccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461651694 1067910102 /nfs/dbraw/zinc/91/01/02/1067910102.db2.gz HXFAHVYMJKHUFE-VWLOTQADSA-N 1 0 450.491 4.502 20 5 JJBDRO O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461709012 1067922682 /nfs/dbraw/zinc/92/26/82/1067922682.db2.gz IZJHNDTWWFVOTO-IBGZPJMESA-N 1 0 456.296 4.660 20 5 JJBDRO C[NH+](C)Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C(F)(F)F ZINC001462726972 1068144785 /nfs/dbraw/zinc/14/47/85/1068144785.db2.gz AJNRQQXQUTUTGU-UHFFFAOYSA-N 1 0 450.461 4.530 20 5 JJBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001463077042 1068279572 /nfs/dbraw/zinc/27/95/72/1068279572.db2.gz VBIOAOSSKWPLRK-WMZOPIPTSA-N 1 0 453.992 4.600 20 5 JJBDRO Cc1c(C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001463148190 1068303276 /nfs/dbraw/zinc/30/32/76/1068303276.db2.gz KTKBIINDMPADKT-JYFHCDHNSA-N 1 0 474.517 4.600 20 5 JJBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001463343567 1068363750 /nfs/dbraw/zinc/36/37/50/1068363750.db2.gz PJTJDOVWSFLYIC-CEXWTWQISA-N 1 0 472.383 4.696 20 5 JJBDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC001463918696 1068565349 /nfs/dbraw/zinc/56/53/49/1068565349.db2.gz WYKUUXLVDSZZAG-IFXJQAMLSA-N 1 0 454.354 4.868 20 5 JJBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)c1ccsc1 ZINC001464140215 1068631908 /nfs/dbraw/zinc/63/19/08/1068631908.db2.gz NNTPSVJDIMOALU-IXFSTUDKSA-N 1 0 458.628 4.952 20 5 JJBDRO O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164413974 718881771 /nfs/dbraw/zinc/88/17/71/718881771.db2.gz PBPOOFRBGVAXPD-MRXNPFEDSA-N 1 0 491.848 4.903 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)c(Cl)nn2)c1 ZINC001164422487 718893361 /nfs/dbraw/zinc/89/33/61/718893361.db2.gz VTYBWYGDBXUUJL-IBGZPJMESA-N 1 0 451.905 4.609 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCCC[C@@H]2C2CC[NH2+]CC2)c(Cl)nn1 ZINC001164423069 718893383 /nfs/dbraw/zinc/89/33/83/718893383.db2.gz ZYQVJPYDSCQBKC-GOSISDBHSA-N 1 0 451.905 4.609 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c(Cl)nn1 ZINC001164628381 719049793 /nfs/dbraw/zinc/04/97/93/719049793.db2.gz YFSKAJZGEBAKMU-CVDCTZTESA-N 1 0 485.922 4.834 20 5 JJBDRO Cc1ccc(-c2ccc(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1[N+](=O)[O-] ZINC001164836959 720704216 /nfs/dbraw/zinc/70/42/16/720704216.db2.gz CBVCTLZEKYIWFI-QHCPKHFHSA-N 1 0 473.577 4.620 20 5 JJBDRO CCc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164836490 720717983 /nfs/dbraw/zinc/71/79/83/720717983.db2.gz BLIHHTOMSCBFSH-VWLOTQADSA-N 1 0 487.604 4.874 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164791303 721473191 /nfs/dbraw/zinc/47/31/91/721473191.db2.gz WWQKNSKLTWSFBF-FQEVSTJZSA-N 1 0 489.016 4.530 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164791305 721473524 /nfs/dbraw/zinc/47/35/24/721473524.db2.gz WWQKNSKLTWSFBF-HXUWFJFHSA-N 1 0 489.016 4.530 20 5 JJBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001435063960 1064482595 /nfs/dbraw/zinc/48/25/95/1064482595.db2.gz MUMQMBWIKKOMON-LJQANCHMSA-N 1 0 451.489 4.773 20 5 JJBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001435303046 1064678424 /nfs/dbraw/zinc/67/84/24/1064678424.db2.gz IFVFOPMONRJMME-QHCPKHFHSA-N 1 0 458.562 4.801 20 5 JJBDRO CC(C)(C)[NH2+]CCC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001435353755 1064718992 /nfs/dbraw/zinc/71/89/92/1064718992.db2.gz XFVBNSIDTLQNMY-UHFFFAOYSA-N 1 0 454.310 4.838 20 5 JJBDRO CC(C)CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC001359984701 1064762725 /nfs/dbraw/zinc/76/27/25/1064762725.db2.gz CKSJNPDVYOZYEF-WOJBJXKFSA-N 1 0 472.634 4.612 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)OC2CCCC2)C1 ZINC001360007232 1064794462 /nfs/dbraw/zinc/79/44/62/1064794462.db2.gz APDFUPXZEHXVPL-LJQANCHMSA-N 1 0 456.591 4.532 20 5 JJBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)OC2CCCC2)C1 ZINC001360007231 1064794760 /nfs/dbraw/zinc/79/47/60/1064794760.db2.gz APDFUPXZEHXVPL-IBGZPJMESA-N 1 0 456.591 4.532 20 5 JJBDRO CC(C)[N@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001360097270 1064973655 /nfs/dbraw/zinc/97/36/55/1064973655.db2.gz BLXVRIQVGKQECI-UHFFFAOYSA-N 1 0 468.524 4.752 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCCC1 ZINC001360116038 1064999717 /nfs/dbraw/zinc/99/97/17/1064999717.db2.gz RVZZFASKXWTHMJ-JOCHJYFZSA-N 1 0 470.618 4.717 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCCO2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001360116181 1065000287 /nfs/dbraw/zinc/00/02/87/1065000287.db2.gz XILQYXWWUXPWMC-HSZRJFAPSA-N 1 0 484.645 4.965 20 5 JJBDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001360138803 1065034912 /nfs/dbraw/zinc/03/49/12/1065034912.db2.gz KAHPCRLLXVJRJG-IEBWSBKVSA-N 1 0 480.535 4.752 20 5 JJBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001436502487 1065336127 /nfs/dbraw/zinc/33/61/27/1065336127.db2.gz USXBZBGAEBYCSL-ZNDGOPKYSA-N 1 0 457.958 4.717 20 5 JJBDRO C[C@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001360459339 1065360974 /nfs/dbraw/zinc/36/09/74/1065360974.db2.gz HPKPOCQJLBKFAC-DZGCQCFKSA-N 1 0 452.374 4.544 20 5 JJBDRO C[C@@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001360459343 1065361167 /nfs/dbraw/zinc/36/11/67/1065361167.db2.gz HPKPOCQJLBKFAC-UKRRQHHQSA-N 1 0 452.374 4.544 20 5 JJBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001360459341 1065361196 /nfs/dbraw/zinc/36/11/96/1065361196.db2.gz HPKPOCQJLBKFAC-HIFRSBDPSA-N 1 0 452.374 4.544 20 5 JJBDRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001436632244 1065408042 /nfs/dbraw/zinc/40/80/42/1065408042.db2.gz UFZDZQVTOGFYLP-FCHUYYIVSA-N 1 0 453.901 4.785 20 5 JJBDRO C[C@@H](Cn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC001360537056 1065520738 /nfs/dbraw/zinc/52/07/38/1065520738.db2.gz WNRNJQXVMCGJCM-KRWDZBQOSA-N 1 0 468.627 4.770 20 5 JJBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001438327668 1065709894 /nfs/dbraw/zinc/70/98/94/1065709894.db2.gz MKXJXELRVSGBOV-HYBUGGRVSA-N 1 0 458.562 4.705 20 5 JJBDRO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001438572523 1065732831 /nfs/dbraw/zinc/73/28/31/1065732831.db2.gz ALQNZXLPMKVGBP-DEOSSOPVSA-N 1 0 458.562 4.991 20 5 JJBDRO CSc1ccc(C(=O)c2ccccc2C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC001440372433 1065933576 /nfs/dbraw/zinc/93/35/76/1065933576.db2.gz RGASFYVUBQHOGM-UHFFFAOYSA-N 1 0 455.580 4.542 20 5 JJBDRO Cc1occc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001360932047 1066088851 /nfs/dbraw/zinc/08/88/51/1066088851.db2.gz DDLJUERKTFHUOL-IBGZPJMESA-N 1 0 452.559 4.512 20 5 JJBDRO Cc1ccc([C@H](CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC001442871221 1066235420 /nfs/dbraw/zinc/23/54/20/1066235420.db2.gz IBLDGSYASQRMIV-PNCHPQGNSA-N 1 0 454.571 4.545 20 5 JJBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccc(Cl)cc1 ZINC001445081790 1066537341 /nfs/dbraw/zinc/53/73/41/1066537341.db2.gz DIVYSOQIJGPQHY-QHCPKHFHSA-N 1 0 452.942 4.893 20 5 JJBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001361220530 1066557810 /nfs/dbraw/zinc/55/78/10/1066557810.db2.gz UOUAUHXPGGIIOD-MRXNPFEDSA-N 1 0 455.864 4.775 20 5 JJBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001445567094 1066589159 /nfs/dbraw/zinc/58/91/59/1066589159.db2.gz LGKQRXVGTMQYQN-INIZCTEOSA-N 1 0 457.493 4.653 20 5 JJBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001457178886 1066781361 /nfs/dbraw/zinc/78/13/61/1066781361.db2.gz PMJCBFPNNCOZBX-UUOWRZLLSA-N 1 0 457.958 4.530 20 5 JJBDRO CN(CC[N@H+](C)C1CC1)C(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001447878749 1066873307 /nfs/dbraw/zinc/87/33/07/1066873307.db2.gz MCUYLNBGDFUBMF-SDXDJHTJSA-N 1 0 450.564 4.688 20 5 JJBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)cc2[N+](=O)[O-])C1 ZINC001457772763 1066915703 /nfs/dbraw/zinc/91/57/03/1066915703.db2.gz GSZKEDWZUAWLGF-OYRHEFFESA-N 1 0 456.631 4.853 20 5 JJBDRO O=[N+]([O-])c1cccc2c1ccnc2NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001458083743 1066970650 /nfs/dbraw/zinc/97/06/50/1066970650.db2.gz WAOCALDTZFBNHO-UHFFFAOYSA-N 1 0 459.472 4.786 20 5 JJBDRO C[N@@H+]1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC001449895107 1067034927 /nfs/dbraw/zinc/03/49/27/1067034927.db2.gz MBFFLHJNRINDIK-UHFFFAOYSA-N 1 0 456.974 4.951 20 5 JJBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001458436117 1067059518 /nfs/dbraw/zinc/05/95/18/1067059518.db2.gz DRSKIGQENARKDS-ZEQKJWHPSA-N 1 0 459.546 4.775 20 5 JJBDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)cc2F)CC1 ZINC001458548275 1067086016 /nfs/dbraw/zinc/08/60/16/1067086016.db2.gz NQBOWCWHVAZKQX-UHFFFAOYSA-N 1 0 451.502 4.593 20 5 JJBDRO C[C@H](SCC[N@H+](C)Cc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001459046504 1067238240 /nfs/dbraw/zinc/23/82/40/1067238240.db2.gz NPNMDYCODGEWJI-INIZCTEOSA-N 1 0 456.593 4.911 20 5 JJBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001452724570 1067246632 /nfs/dbraw/zinc/24/66/32/1067246632.db2.gz FQMNWPIXVIMTFL-USUABIMMSA-N 1 0 452.580 4.838 20 5 JJBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001459848296 1067453597 /nfs/dbraw/zinc/45/35/97/1067453597.db2.gz HFDNSEDKMXWLCM-PKTZIBPZSA-N 1 0 451.523 4.637 20 5 JJBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001459848295 1067453707 /nfs/dbraw/zinc/45/37/07/1067453707.db2.gz HFDNSEDKMXWLCM-GOTSBHOMSA-N 1 0 451.523 4.637 20 5 JJBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001459852728 1067457205 /nfs/dbraw/zinc/45/72/05/1067457205.db2.gz YNWYKGQUSQWSSP-FQEVSTJZSA-N 1 0 450.297 4.776 20 5 JJBDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC001459852796 1067457236 /nfs/dbraw/zinc/45/72/36/1067457236.db2.gz OPOJOTLRFQJAHW-RUZDIDTESA-N 1 0 459.546 4.683 20 5 JJBDRO COc1ccc(NC(=O)CC[N@H+](Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC001459871211 1067467435 /nfs/dbraw/zinc/46/74/35/1067467435.db2.gz QGQKNKWMWYWQOH-QFIPXVFZSA-N 1 0 455.555 4.780 20 5 JJBDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)s2)cc1 ZINC001459899758 1067479200 /nfs/dbraw/zinc/47/92/00/1067479200.db2.gz HQJAHLHOWMMSQQ-CYBMUJFWSA-N 1 0 458.515 4.854 20 5 JJBDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)s2)cc1 ZINC001459899762 1067479348 /nfs/dbraw/zinc/47/93/48/1067479348.db2.gz HQJAHLHOWMMSQQ-ZDUSSCGKSA-N 1 0 458.515 4.854 20 5 JJBDRO O=C(C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001459997739 1067520248 /nfs/dbraw/zinc/52/02/48/1067520248.db2.gz OIAVMLIUPRYVHM-SFHVURJKSA-N 1 0 456.699 4.829 20 5 JJBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460229280 1067584611 /nfs/dbraw/zinc/58/46/11/1067584611.db2.gz CKMHKUNNWMREGJ-FCEUIQTBSA-N 1 0 466.563 4.945 20 5 JJBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)C12CCCC2 ZINC001460358621 1067617426 /nfs/dbraw/zinc/61/74/26/1067617426.db2.gz AHGVGYJGXAJYFL-QGZVFWFLSA-N 1 0 454.365 4.769 20 5 JJBDRO Cc1c(NC(=O)CC[NH2+]C2(c3cc(Cl)cc(Br)c3)CC2)cccc1[N+](=O)[O-] ZINC001460703496 1067704694 /nfs/dbraw/zinc/70/46/94/1067704694.db2.gz POTXZFYUHKPBMW-UHFFFAOYSA-N 1 0 452.736 4.927 20 5 JJBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001461041034 1067767850 /nfs/dbraw/zinc/76/78/50/1067767850.db2.gz FXTYGRFGQHJYDK-HNNXBMFYSA-N 1 0 453.486 4.931 20 5 JJBDRO Cc1ccc(Sc2ccc(C[NH2+]CCCNC(=O)c3cccc(O)c3)cc2[N+](=O)[O-])cc1 ZINC001461130052 1067787124 /nfs/dbraw/zinc/78/71/24/1067787124.db2.gz UGWLBCLCXDVXOC-UHFFFAOYSA-N 1 0 451.548 4.670 20 5 JJBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)o1 ZINC001461231639 1067805474 /nfs/dbraw/zinc/80/54/74/1067805474.db2.gz PPYJXQKBYYOLQA-FQEVSTJZSA-N 1 0 455.942 4.541 20 5 JJBDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001461315586 1067826486 /nfs/dbraw/zinc/82/64/86/1067826486.db2.gz FAYXJVUETTXMJD-UHFFFAOYSA-N 1 0 451.308 4.716 20 5 JJBDRO COc1ccc(C[NH2+][C@@H]2CCOc3c(OC)cccc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461607195 1067900433 /nfs/dbraw/zinc/90/04/33/1067900433.db2.gz QHJAAUVMTSKNKA-OAQYLSRUSA-N 1 0 450.491 4.804 20 5 JJBDRO CCOc1cc(C[NH2+]Cc2ccc(C)o2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001461668538 1067914717 /nfs/dbraw/zinc/91/47/17/1067914717.db2.gz LMLQEKVMOXKHGS-UHFFFAOYSA-N 1 0 454.479 4.630 20 5 JJBDRO CCc1ccccc1Oc1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001461736671 1067927736 /nfs/dbraw/zinc/92/77/36/1067927736.db2.gz XADMEJKRWZHFQZ-ISKFKSNPSA-N 1 0 456.926 4.787 20 5 JJBDRO COc1cc(C[NH2+][C@@H]2COc3c(F)cc(F)cc3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461813258 1067940985 /nfs/dbraw/zinc/94/09/85/1067940985.db2.gz NSXIRLWZUJHWOX-IBGZPJMESA-N 1 0 456.445 4.554 20 5 JJBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)CC2)cc1 ZINC001462151639 1068016835 /nfs/dbraw/zinc/01/68/35/1068016835.db2.gz SDPKOJIRESAXNW-CLJLJLNGSA-N 1 0 453.583 4.644 20 5 JJBDRO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001462579669 1068103907 /nfs/dbraw/zinc/10/39/07/1068103907.db2.gz VKILWWXRAXDCKL-UHOSZYNNSA-N 1 0 453.530 4.788 20 5 JJBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001464496237 1068766269 /nfs/dbraw/zinc/76/62/69/1068766269.db2.gz ZMPCPHGVCUTQDD-UHFFFAOYSA-N 1 0 459.761 4.731 20 5 JJBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC001464636449 1068806591 /nfs/dbraw/zinc/80/65/91/1068806591.db2.gz LPJOICIJPZHYMV-UHFFFAOYSA-N 1 0 450.514 4.550 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(Cl)nn1 ZINC001164628378 719049763 /nfs/dbraw/zinc/04/97/63/719049763.db2.gz YFSKAJZGEBAKMU-AUSIDOKSSA-N 1 0 485.922 4.834 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1-c1ccc(F)cc1 ZINC001164705939 719905536 /nfs/dbraw/zinc/90/55/36/719905536.db2.gz GGTIEYBQJIZODO-UHFFFAOYSA-N 1 0 468.554 4.729 20 5 JJBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])C2 ZINC001164814406 720115909 /nfs/dbraw/zinc/11/59/09/720115909.db2.gz SIFRKXUHZYBLMU-MZNJEOGPSA-N 1 0 490.963 4.759 20 5 JJBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccc(C)c([N+](=O)[O-])c3)nc3sccc31)C2 ZINC001164819098 720170308 /nfs/dbraw/zinc/17/03/08/720170308.db2.gz WAPRGAJHSCCHSI-IBVKSMDESA-N 1 0 493.633 4.760 20 5 JJBDRO O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725082 720384769 /nfs/dbraw/zinc/38/47/69/720384769.db2.gz LRYHZKAOZJOTGZ-MOPGFXCFSA-N 1 0 469.904 4.823 20 5 JJBDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164836928 720723593 /nfs/dbraw/zinc/72/35/93/720723593.db2.gz BXUZYFCRTAMBKU-NRFANRHFSA-N 1 0 493.995 4.965 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)C[C@H]21 ZINC001165030530 721828587 /nfs/dbraw/zinc/82/85/87/721828587.db2.gz ZQUAEENBKCHRQI-KKLQWCBXSA-N 1 0 478.984 4.837 20 5 JJBDRO Clc1ccc2ccc3ccc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)nc3c2n1 ZINC001164975755 722120542 /nfs/dbraw/zinc/12/05/42/722120542.db2.gz KTENWWZXWPWPLD-FCHUYYIVSA-N 1 0 459.981 4.559 20 5 JJBDRO CC(C)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)CCS1 ZINC001359748225 1064333487 /nfs/dbraw/zinc/33/34/87/1064333487.db2.gz RCLMNLARIQVVJJ-NRFANRHFSA-N 1 0 472.659 4.553 20 5 JJBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858973 1064546387 /nfs/dbraw/zinc/54/63/87/1064546387.db2.gz UNFAXVRZJYHMCE-UHFFFAOYSA-N 1 0 454.329 4.708 20 5 JJBDRO CSc1cccc(N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C2CC[NH+](C)CC2)c1 ZINC001435147349 1064547648 /nfs/dbraw/zinc/54/76/48/1064547648.db2.gz FVWNBXIRMVXRMQ-UHFFFAOYSA-N 1 0 458.540 4.583 20 5 JJBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001359931590 1064669141 /nfs/dbraw/zinc/66/91/41/1064669141.db2.gz QVTAMNQUYKJFDK-DOTOQJQBSA-N 1 0 456.593 4.958 20 5 JJBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001435297049 1064672806 /nfs/dbraw/zinc/67/28/06/1064672806.db2.gz KBWBVVQSDPREQJ-UHFFFAOYSA-N 1 0 459.546 4.910 20 5 JJBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316322 1064688554 /nfs/dbraw/zinc/68/85/54/1064688554.db2.gz MWBLICFBNHUTJQ-MRXNPFEDSA-N 1 0 455.864 4.775 20 5 JJBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001360019499 1064822937 /nfs/dbraw/zinc/82/29/37/1064822937.db2.gz QYHLIBGJSQBQER-OAHLLOKOSA-N 1 0 455.502 4.685 20 5 JJBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001435655879 1064912313 /nfs/dbraw/zinc/91/23/13/1064912313.db2.gz DYIGPDUPWOQAHI-BJKOFHAPSA-N 1 0 479.964 4.789 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001360115876 1064998352 /nfs/dbraw/zinc/99/83/52/1064998352.db2.gz MTUBXHKHXQUOOP-HSZRJFAPSA-N 1 0 493.637 4.971 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCCCC1 ZINC001360116281 1065000853 /nfs/dbraw/zinc/00/08/53/1065000853.db2.gz ZMXVLNJXNPISFV-UHFFFAOYSA-N 1 0 484.004 4.803 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(CC(C)(C)C)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001360117142 1065002398 /nfs/dbraw/zinc/00/23/98/1065002398.db2.gz YMNFHJCQQUMAIX-FQEVSTJZSA-N 1 0 454.619 4.674 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001360117186 1065003129 /nfs/dbraw/zinc/00/31/29/1065003129.db2.gz ZUCVMCCYFJLKFU-JOCHJYFZSA-N 1 0 470.618 4.717 20 5 JJBDRO CC(C)[NH+](CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2ccc(Cl)nc2C1)C(C)C ZINC001360123864 1065015360 /nfs/dbraw/zinc/01/53/60/1065015360.db2.gz OPMHCHGRVFULGV-UHFFFAOYSA-N 1 0 498.031 4.973 20 5 JJBDRO CCCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001360128778 1065023890 /nfs/dbraw/zinc/02/38/90/1065023890.db2.gz CXZOFEILKDHGFI-NQIIRXRSSA-N 1 0 459.974 4.919 20 5 JJBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360598043 1065616738 /nfs/dbraw/zinc/61/67/38/1065616738.db2.gz UTQJURYYOKKLED-QGZVFWFLSA-N 1 0 480.535 4.754 20 5 JJBDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001438976306 1065773549 /nfs/dbraw/zinc/77/35/49/1065773549.db2.gz HLZUPFYTZANXIL-QHCPKHFHSA-N 1 0 450.583 4.712 20 5 JJBDRO Cc1c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001439095942 1065784816 /nfs/dbraw/zinc/78/48/16/1065784816.db2.gz HCOQOVBSCGZKBL-UHFFFAOYSA-N 1 0 454.527 4.685 20 5 JJBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439824426 1065883133 /nfs/dbraw/zinc/88/31/33/1065883133.db2.gz WUOSZORBFSIQAE-LADGPHEKSA-N 1 0 463.965 4.965 20 5 JJBDRO CC1(C)CC[N@H+](CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 ZINC001440034690 1065905880 /nfs/dbraw/zinc/90/58/80/1065905880.db2.gz QBFLJVLYRZUMAY-UHFFFAOYSA-N 1 0 456.593 4.817 20 5 JJBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001441235255 1066017213 /nfs/dbraw/zinc/01/72/13/1066017213.db2.gz IPPIOKQOAXVOCM-LOSJGSFVSA-N 1 0 478.980 4.692 20 5 JJBDRO Cc1nc([C@@H]2CCCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC[N@@H+](C)C(C)C)C2)sc1C ZINC001360893996 1066046080 /nfs/dbraw/zinc/04/60/80/1066046080.db2.gz CZSHTSVCXBJQME-HXUWFJFHSA-N 1 0 483.642 4.651 20 5 JJBDRO O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC001442308823 1066115830 /nfs/dbraw/zinc/11/58/30/1066115830.db2.gz ACURUTJOYPYYSA-UHFFFAOYSA-N 1 0 456.974 4.951 20 5 JJBDRO Cc1ccsc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001360960049 1066118204 /nfs/dbraw/zinc/11/82/04/1066118204.db2.gz XKJIPGSSNHLHIO-UHFFFAOYSA-N 1 0 468.627 4.828 20 5 JJBDRO Cc1cc(OCC(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC001442348964 1066118720 /nfs/dbraw/zinc/11/87/20/1066118720.db2.gz AKZFTILBCWWAPX-UHFFFAOYSA-N 1 0 454.354 4.569 20 5 JJBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001443414931 1066308417 /nfs/dbraw/zinc/30/84/17/1066308417.db2.gz WACSQMKRPXXYNL-FQEVSTJZSA-N 1 0 453.608 4.924 20 5 JJBDRO CC[N@H+](CCNC(=O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)C(C)C ZINC001443445020 1066311693 /nfs/dbraw/zinc/31/16/93/1066311693.db2.gz UCJHLEAPVNJMOD-CYVLTUHYSA-N 1 0 452.580 4.982 20 5 JJBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001361165741 1066477158 /nfs/dbraw/zinc/47/71/58/1066477158.db2.gz OFTCXDLKGDKALG-HSZRJFAPSA-N 1 0 459.546 4.768 20 5 JJBDRO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2CC[NH+]2CCC(C)CC2)o1 ZINC001361191105 1066517352 /nfs/dbraw/zinc/51/73/52/1066517352.db2.gz GOPWKQNVJGCRKB-UHFFFAOYSA-N 1 0 466.586 4.902 20 5 JJBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001456981353 1066735436 /nfs/dbraw/zinc/73/54/36/1066735436.db2.gz GAHVMIQVKLMQKE-MRXNPFEDSA-N 1 0 455.864 4.775 20 5 JJBDRO Cc1ncc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC001492695879 1066844252 /nfs/dbraw/zinc/84/42/52/1066844252.db2.gz ORSFYIIVTOQHBY-LJQANCHMSA-N 1 0 483.642 4.623 20 5 JJBDRO CC[N@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1)CC1CC1 ZINC001457726930 1066905340 /nfs/dbraw/zinc/90/53/40/1066905340.db2.gz HDPJKSZUMWFSKO-UHFFFAOYSA-N 1 0 456.631 4.805 20 5 JJBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC001457773708 1066916051 /nfs/dbraw/zinc/91/60/51/1066916051.db2.gz OWYBVPAUHTZXMG-UHFFFAOYSA-N 1 0 458.784 4.787 20 5 JJBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001451122545 1067147415 /nfs/dbraw/zinc/14/74/15/1067147415.db2.gz ZCHWXFLKBOAQDE-LADGPHEKSA-N 1 0 467.928 4.714 20 5 JJBDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001459828926 1067442600 /nfs/dbraw/zinc/44/26/00/1067442600.db2.gz TUQOUDWBVLOLHE-IBGZPJMESA-N 1 0 454.548 4.607 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870658 1067467423 /nfs/dbraw/zinc/46/74/23/1067467423.db2.gz PDYWNQWVBKOIPU-HKUYNNGSSA-N 1 0 451.445 4.829 20 5 JJBDRO O=C(CC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001459971070 1067510657 /nfs/dbraw/zinc/51/06/57/1067510657.db2.gz GPCBPVHLAWQHJI-UHFFFAOYSA-N 1 0 451.445 4.733 20 5 JJBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001459996586 1067519808 /nfs/dbraw/zinc/51/98/08/1067519808.db2.gz VPDIUXNZAWMRHM-IBGZPJMESA-N 1 0 450.308 4.874 20 5 JJBDRO CC(C)C[C@@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001460053597 1067540108 /nfs/dbraw/zinc/54/01/08/1067540108.db2.gz HIDGRXGFBDSQNA-GHTZIAJQSA-N 1 0 451.361 4.648 20 5 JJBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001460072429 1067545986 /nfs/dbraw/zinc/54/59/86/1067545986.db2.gz QUGJPJJSQULNAI-GOSISDBHSA-N 1 0 459.262 4.868 20 5 JJBDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001460072801 1067546367 /nfs/dbraw/zinc/54/63/67/1067546367.db2.gz DPRQRXDELVPCKK-UHFFFAOYSA-N 1 0 456.301 4.695 20 5 JJBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)c1 ZINC001460135050 1067561661 /nfs/dbraw/zinc/56/16/61/1067561661.db2.gz LTRWAVAUYOCHKJ-AWEZNQCLSA-N 1 0 456.711 4.917 20 5 JJBDRO COc1cc(C[NH2+]C2(CC(=O)OC(C)(C)C)CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001460311570 1067605075 /nfs/dbraw/zinc/60/50/75/1067605075.db2.gz VHQIEFIJLOTSLK-UHFFFAOYSA-N 1 0 458.502 4.772 20 5 JJBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460627808 1067677345 /nfs/dbraw/zinc/67/73/45/1067677345.db2.gz KJHGVADQBASDMV-HNNXBMFYSA-N 1 0 453.244 4.792 20 5 JJBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001460678164 1067698072 /nfs/dbraw/zinc/69/80/72/1067698072.db2.gz ALFAYUFCIVROGQ-LJQANCHMSA-N 1 0 450.564 4.750 20 5 JJBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001460761299 1067718911 /nfs/dbraw/zinc/71/89/11/1067718911.db2.gz ILSCXYJBHQPLMR-RIEVBORMSA-N 1 0 479.577 4.999 20 5 JJBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H]3CCCN(CC(F)(F)F)C3=O)cc2[N+](=O)[O-])cc1 ZINC001461358379 1067837993 /nfs/dbraw/zinc/83/79/93/1067837993.db2.gz PPWUEPGWJOJDEU-KRWDZBQOSA-N 1 0 453.486 4.697 20 5 JJBDRO COc1cc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC001461483556 1067871666 /nfs/dbraw/zinc/87/16/66/1067871666.db2.gz ZDKPJISDFYYGFF-MRXNPFEDSA-N 1 0 453.461 4.551 20 5 JJBDRO COc1cc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001461589634 1067895457 /nfs/dbraw/zinc/89/54/57/1067895457.db2.gz GFUVWTOWKXIPDS-RPWUZVMVSA-N 1 0 461.562 4.617 20 5 JJBDRO COc1ccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001461651691 1067910188 /nfs/dbraw/zinc/91/01/88/1067910188.db2.gz HXFAHVYMJKHUFE-RUZDIDTESA-N 1 0 450.491 4.502 20 5 JJBDRO COC1(OC)CCOC[C@H]1CC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001461761462 1067932300 /nfs/dbraw/zinc/93/23/00/1067932300.db2.gz RKJSLVFDMUBYOF-QGZVFWFLSA-N 1 0 450.919 4.546 20 5 JJBDRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001461830067 1067943313 /nfs/dbraw/zinc/94/33/13/1067943313.db2.gz KCHRBNBHDRGWQQ-HNNXBMFYSA-N 1 0 452.736 4.534 20 5 JJBDRO COc1cc(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC001461900842 1067957999 /nfs/dbraw/zinc/95/79/99/1067957999.db2.gz RYYNOUINBZVIBI-INIZCTEOSA-N 1 0 456.873 4.944 20 5 JJBDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC001462175661 1068022215 /nfs/dbraw/zinc/02/22/15/1068022215.db2.gz HBMOHPCTVZTMLY-KRWDZBQOSA-N 1 0 451.445 4.752 20 5 JJBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3csc(-c4ccc(Cl)cc4)c3)c2)CC1 ZINC001463055480 1068268742 /nfs/dbraw/zinc/26/87/42/1068268742.db2.gz IWSHFNQFRIXVBV-UHFFFAOYSA-N 1 0 456.955 4.981 20 5 JJBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC001463077031 1068279493 /nfs/dbraw/zinc/27/94/93/1068279493.db2.gz VBIOAOSSKWPLRK-SJLPKXTDSA-N 1 0 453.992 4.600 20 5 JJBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001463797057 1068527610 /nfs/dbraw/zinc/52/76/10/1068527610.db2.gz VFABYQGESFXPKX-UHFFFAOYSA-N 1 0 450.926 4.705 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)cnc2Cl)c1 ZINC001164430419 718948308 /nfs/dbraw/zinc/94/83/08/718948308.db2.gz URCNJPRJACKKJW-SFTDATJTSA-N 1 0 456.880 4.931 20 5 JJBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn2)CC3)cs1 ZINC001164691272 719812090 /nfs/dbraw/zinc/81/20/90/719812090.db2.gz CMUKWFNLTKOFGK-UHFFFAOYSA-N 1 0 464.595 4.760 20 5 JJBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164705861 719906528 /nfs/dbraw/zinc/90/65/28/719906528.db2.gz DQWFRPJNMRECJJ-UHFFFAOYSA-N 1 0 458.971 4.729 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1-c1ccccc1 ZINC001164707543 719907138 /nfs/dbraw/zinc/90/71/38/719907138.db2.gz SXDOSYICDYPLKO-UHFFFAOYSA-N 1 0 450.564 4.590 20 5 JJBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164716077 720114156 /nfs/dbraw/zinc/11/41/56/720114156.db2.gz ITXXSHVUWMKZAS-IBGZPJMESA-N 1 0 481.984 4.699 20 5 JJBDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164732896 720548842 /nfs/dbraw/zinc/54/88/42/720548842.db2.gz FFGPWRGQMHJONY-HNNXBMFYSA-N 1 0 495.958 4.766 20 5 JJBDRO Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164838189 720717598 /nfs/dbraw/zinc/71/75/98/720717598.db2.gz HCIKLXCYQWOQRF-DEOSSOPVSA-N 1 0 473.577 4.620 20 5 JJBDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc3ccc4ccc(Cl)nc4c3n2)[C@H]2CCCO[C@H]12 ZINC001164807975 721557256 /nfs/dbraw/zinc/55/72/56/721557256.db2.gz UCSGDSDWXACSAH-UZINWLIJSA-N 1 0 459.981 4.700 20 5 JJBDRO CCc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164911246 721728804 /nfs/dbraw/zinc/72/88/04/721728804.db2.gz JMOYOHDRKQPQEB-RUZDIDTESA-N 1 0 494.546 4.747 20 5 JJBDRO CCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165027849 721826889 /nfs/dbraw/zinc/82/68/89/721826889.db2.gz UEOXERUIIYOSNF-BUUDZMLXSA-N 1 0 472.593 4.746 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC001165029006 721831086 /nfs/dbraw/zinc/83/10/86/721831086.db2.gz WGYUDSVJHLQVQV-WWPVKYPJSA-N 1 0 461.541 4.928 20 5 JJBDRO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001435011225 1064427010 /nfs/dbraw/zinc/42/70/10/1064427010.db2.gz BSWUTKKNODINIC-UHFFFAOYSA-N 1 0 456.568 4.530 20 5 JJBDRO CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001359817753 1064500366 /nfs/dbraw/zinc/50/03/66/1064500366.db2.gz JRDUEFABAKFPTN-OAQYLSRUSA-N 1 0 484.645 4.553 20 5 JJBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435316320 1064688638 /nfs/dbraw/zinc/68/86/38/1064688638.db2.gz MWBLICFBNHUTJQ-INIZCTEOSA-N 1 0 455.864 4.775 20 5 JJBDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001360028490 1064830395 /nfs/dbraw/zinc/83/03/95/1064830395.db2.gz JUJDFGNGLXZZMY-UHFFFAOYSA-N 1 0 454.354 4.894 20 5 JJBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCCCCC1 ZINC001360116245 1065000169 /nfs/dbraw/zinc/00/01/69/1065000169.db2.gz YVAGRYMHWPXDJH-HSZRJFAPSA-N 1 0 470.618 4.719 20 5 JJBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001436018328 1065116462 /nfs/dbraw/zinc/11/64/62/1065116462.db2.gz WXWPEKKEYUCQRT-OAQYLSRUSA-N 1 0 450.564 4.749 20 5 JJBDRO C[C@@]1(CNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC001436095033 1065176335 /nfs/dbraw/zinc/17/63/35/1065176335.db2.gz HILNVUDJCBIEBJ-MHZLTWQESA-N 1 0 458.562 4.849 20 5 JJBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001436502486 1065336316 /nfs/dbraw/zinc/33/63/16/1065336316.db2.gz USXBZBGAEBYCSL-BRIRTLKKSA-N 1 0 457.958 4.717 20 5 JJBDRO CCc1ccc([C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH+](CC)CC)cc1 ZINC001436544770 1065353835 /nfs/dbraw/zinc/35/38/35/1065353835.db2.gz VJEOCUUOQDEISI-VWLOTQADSA-N 1 0 452.599 4.573 20 5 JJBDRO CCc1ccc([C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[NH+](CC)CC)cc1 ZINC001436544769 1065353870 /nfs/dbraw/zinc/35/38/70/1065353870.db2.gz VJEOCUUOQDEISI-RUZDIDTESA-N 1 0 452.599 4.573 20 5 JJBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC001360598042 1065616716 /nfs/dbraw/zinc/61/67/16/1065616716.db2.gz UTQJURYYOKKLED-KRWDZBQOSA-N 1 0 480.535 4.754 20 5 JJBDRO CCC[C@H](C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CC[NH+](CC)CC2)c1)c1ccc(Cl)cc1 ZINC001438313587 1065707470 /nfs/dbraw/zinc/70/74/70/1065707470.db2.gz DUNOUVQZWMXQHD-QHCPKHFHSA-N 1 0 458.990 4.937 20 5 JJBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)cc1OC ZINC001439095204 1065784598 /nfs/dbraw/zinc/78/45/98/1065784598.db2.gz DUCKHOAMPONPMM-UHFFFAOYSA-N 1 0 455.555 4.567 20 5 JJBDRO CCNc1ccc(C(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001439758483 1065871831 /nfs/dbraw/zinc/87/18/31/1065871831.db2.gz RLNSXXSAFDTBBI-WNCULLNHSA-N 1 0 458.562 4.815 20 5 JJBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439820568 1065882294 /nfs/dbraw/zinc/88/22/94/1065882294.db2.gz UNFBKEIOOMDZGJ-YFXJRYMSSA-N 1 0 479.964 4.800 20 5 JJBDRO CC1=C(Br)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001360851819 1065966103 /nfs/dbraw/zinc/96/61/03/1065966103.db2.gz RSNAVTZRSDYTCJ-UHFFFAOYSA-N 1 0 489.418 4.607 20 5 JJBDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001442357658 1066119894 /nfs/dbraw/zinc/11/98/94/1066119894.db2.gz XEGBSYCOIYDZHM-OALUTQOASA-N 1 0 450.366 4.986 20 5 JJBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC001443445497 1066311980 /nfs/dbraw/zinc/31/19/80/1066311980.db2.gz YLTWZVFVJUMKOY-GMYFBSLISA-N 1 0 452.580 4.982 20 5 JJBDRO CC[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001546064566 1066321582 /nfs/dbraw/zinc/32/15/82/1066321582.db2.gz ROBFBKSCXZJYRG-NLFFAJNJSA-N 1 0 454.619 4.992 20 5 JJBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2[N+](=O)[O-])C1 ZINC001444163294 1066422641 /nfs/dbraw/zinc/42/26/41/1066422641.db2.gz GOWZQSRCZZFCKC-LRSLUSHPSA-N 1 0 456.631 4.804 20 5 JJBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2[N+](=O)[O-])C1 ZINC001444163297 1066422705 /nfs/dbraw/zinc/42/27/05/1066422705.db2.gz GOWZQSRCZZFCKC-MBDNFAEBSA-N 1 0 456.631 4.804 20 5 JJBDRO Cc1ccc(-c2nnc(N(C)CCc3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCC(C)CC2)o1 ZINC001361187628 1066512541 /nfs/dbraw/zinc/51/25/41/1066512541.db2.gz YYNJQDALPJRAGD-IBGZPJMESA-N 1 0 466.586 4.554 20 5 JJBDRO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001361191484 1066518094 /nfs/dbraw/zinc/51/80/94/1066518094.db2.gz VDVDVJAGWIHXHO-HSZRJFAPSA-N 1 0 496.612 4.527 20 5 JJBDRO Cc1ccc(-c2nnc(N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001361191564 1066518898 /nfs/dbraw/zinc/51/88/98/1066518898.db2.gz YMPRIGIGRYWNOJ-UHFFFAOYSA-N 1 0 452.559 4.512 20 5 JJBDRO C[C@@H]1C[C@H](NC(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)CC[N@@H+]1C ZINC001445059833 1066535834 /nfs/dbraw/zinc/53/58/34/1066535834.db2.gz YLGBRJNWAZDLQM-PUZOFKTQSA-N 1 0 450.564 4.734 20 5 JJBDRO Cc1ccc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2ccsc2)[NH+](C)C)o1 ZINC001361249905 1066595101 /nfs/dbraw/zinc/59/51/01/1066595101.db2.gz JSGCZNYTCQYUTI-OAQYLSRUSA-N 1 0 466.567 4.756 20 5 JJBDRO Cc1csc([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001492636224 1066720092 /nfs/dbraw/zinc/72/00/92/1066720092.db2.gz AOTJSINPVBOWPB-SFHVURJKSA-N 1 0 497.669 4.979 20 5 JJBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001457466551 1066836871 /nfs/dbraw/zinc/83/68/71/1066836871.db2.gz UIDDEWIZJQPXIM-KRWDZBQOSA-N 1 0 454.752 4.824 20 5 JJBDRO C[C@@H](Nc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC001447957414 1066882283 /nfs/dbraw/zinc/88/22/83/1066882283.db2.gz FLVJXIKIKRIEGF-LJQANCHMSA-N 1 0 453.587 4.937 20 5 JJBDRO C[C@H](Nc1ccc(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC001447957410 1066882309 /nfs/dbraw/zinc/88/23/09/1066882309.db2.gz FLVJXIKIKRIEGF-IBGZPJMESA-N 1 0 453.587 4.937 20 5 JJBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cc2[N+](=O)[O-])C1 ZINC001458040140 1066959460 /nfs/dbraw/zinc/95/94/60/1066959460.db2.gz GEKBXNWSCDLFLC-PMACEKPBSA-N 1 0 450.583 4.968 20 5 JJBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)nc1 ZINC001458097950 1066974443 /nfs/dbraw/zinc/97/44/43/1066974443.db2.gz UQUDCCOWPSNKLJ-UHFFFAOYSA-N 1 0 459.369 4.803 20 5 JJBDRO CCC(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001545819856 1067156138 /nfs/dbraw/zinc/15/61/38/1067156138.db2.gz NJOMGYZRCNOQSM-XMMPIXPASA-N 1 0 468.646 4.848 20 5 JJBDRO O=C(CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001459650444 1067371916 /nfs/dbraw/zinc/37/19/16/1067371916.db2.gz HCCHWKLSBGCVIH-UHFFFAOYSA-N 1 0 452.338 4.911 20 5 JJBDRO C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC001459719860 1067395155 /nfs/dbraw/zinc/39/51/55/1067395155.db2.gz MEFVUMXQJLIFIA-JLTOFOAXSA-N 1 0 456.381 4.921 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870664 1067467311 /nfs/dbraw/zinc/46/73/11/1067467311.db2.gz PDYWNQWVBKOIPU-PKOBYXMFSA-N 1 0 451.445 4.829 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001459870663 1067467330 /nfs/dbraw/zinc/46/73/30/1067467330.db2.gz PDYWNQWVBKOIPU-MJGOQNOKSA-N 1 0 451.445 4.829 20 5 JJBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001459916840 1067489987 /nfs/dbraw/zinc/48/99/87/1067489987.db2.gz OMXKVTPNCATDOH-HUUCEWRRSA-N 1 0 452.351 4.637 20 5 JJBDRO C[C@H](C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Oc1ccc(Cl)c(Cl)c1 ZINC001459950814 1067504405 /nfs/dbraw/zinc/50/44/05/1067504405.db2.gz KLXQVAWMTOOTNC-CYBMUJFWSA-N 1 0 454.310 4.599 20 5 JJBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001460072432 1067545932 /nfs/dbraw/zinc/54/59/32/1067545932.db2.gz QUGJPJJSQULNAI-SFHVURJKSA-N 1 0 459.262 4.868 20 5 JJBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC001460090327 1067551784 /nfs/dbraw/zinc/55/17/84/1067551784.db2.gz QKEYPBOIEVBSRM-HXUWFJFHSA-N 1 0 453.417 4.572 20 5 JJBDRO O=C(C[NH2+]C1(c2ccccc2Br)CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460094913 1067553180 /nfs/dbraw/zinc/55/31/80/1067553180.db2.gz LXFHHADLTAHAOE-UHFFFAOYSA-N 1 0 458.356 4.696 20 5 JJBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC001460229278 1067584635 /nfs/dbraw/zinc/58/46/35/1067584635.db2.gz CKMHKUNNWMREGJ-CEMLEFRQSA-N 1 0 466.563 4.945 20 5 JJBDRO CC1(C)CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460231669 1067585333 /nfs/dbraw/zinc/58/53/33/1067585333.db2.gz RVWQYSRXROQIPV-RUZDIDTESA-N 1 0 451.567 4.513 20 5 JJBDRO C[C@@H](C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001460347893 1067613705 /nfs/dbraw/zinc/61/37/05/1067613705.db2.gz MCWHKPPUHQGZEQ-QFQXNSOFSA-N 1 0 458.562 4.787 20 5 JJBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 ZINC001461407863 1067848173 /nfs/dbraw/zinc/84/81/73/1067848173.db2.gz IDVCYIBHUUMEKW-UHFFFAOYSA-N 1 0 454.752 4.999 20 5 JJBDRO CN1CC[C@H](C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC001461406609 1067848208 /nfs/dbraw/zinc/84/82/08/1067848208.db2.gz MVKMFQLQZLXRLG-YJYMSZOUSA-N 1 0 456.743 4.932 20 5 JJBDRO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001461706291 1067922427 /nfs/dbraw/zinc/92/24/27/1067922427.db2.gz DYZZSLSBQVHDOV-DEOSSOPVSA-N 1 0 454.910 4.973 20 5 JJBDRO CCC(CC)(CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccc1 ZINC001463073557 1068277905 /nfs/dbraw/zinc/27/79/05/1068277905.db2.gz JHTHHDIFCDRGJP-AWEZNQCLSA-N 1 0 457.955 4.575 20 5 JJBDRO COc1cccc([C@H](CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[NH+]2CCCC2)c1 ZINC001463558547 1068441765 /nfs/dbraw/zinc/44/17/65/1068441765.db2.gz QFUXHDZGIJLQOR-INIZCTEOSA-N 1 0 456.301 4.616 20 5 JJBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001464078076 1068607698 /nfs/dbraw/zinc/60/76/98/1068607698.db2.gz CTIVGZYRWFZJML-UHFFFAOYSA-N 1 0 458.562 4.863 20 5 JJBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C1 ZINC001464149633 1068634537 /nfs/dbraw/zinc/63/45/37/1068634537.db2.gz XFXSEPZVATZCKQ-OAHLLOKOSA-N 1 0 456.593 4.817 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)c(Cl)nn2)c1 ZINC001164387333 718815790 /nfs/dbraw/zinc/81/57/90/718815790.db2.gz FTYAVSGAKORHPI-QGZVFWFLSA-N 1 0 491.848 4.761 20 5 JJBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)c(Cl)nn2)c1 ZINC001164413945 718881729 /nfs/dbraw/zinc/88/17/29/718881729.db2.gz OWFWJCWGZWTXGE-INIZCTEOSA-N 1 0 491.848 4.903 20 5 JJBDRO O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c(Cl)nn1 ZINC001164628383 719049459 /nfs/dbraw/zinc/04/94/59/719049459.db2.gz YFSKAJZGEBAKMU-WMZHIEFXSA-N 1 0 485.922 4.834 20 5 JJBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn2)CC3)cs1 ZINC001164693559 719815735 /nfs/dbraw/zinc/81/57/35/719815735.db2.gz WIMYDROHRLPOND-UHFFFAOYSA-N 1 0 468.558 4.591 20 5 JJBDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc([N+](=O)[O-])cc4c(Cl)ncnc42)CC3)cs1 ZINC001164704033 719817148 /nfs/dbraw/zinc/81/71/48/719817148.db2.gz WZKUSBGCLMHPGH-UHFFFAOYSA-N 1 0 458.975 4.591 20 5 JJBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])C2 ZINC001164814408 720116132 /nfs/dbraw/zinc/11/61/32/720116132.db2.gz SIFRKXUHZYBLMU-OSPHWJPCSA-N 1 0 490.963 4.759 20 5 JJBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Oc3ccnc(Cl)c3)c(F)cc1[N+](=O)[O-])C2 ZINC001164814404 720116574 /nfs/dbraw/zinc/11/65/74/720116574.db2.gz SIFRKXUHZYBLMU-BXKMTCNYSA-N 1 0 490.963 4.759 20 5 JJBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC2 ZINC001164715465 720125697 /nfs/dbraw/zinc/12/56/97/720125697.db2.gz FZEJXWSXJZWSBV-IBGZPJMESA-N 1 0 481.984 4.699 20 5 JJBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164712912 720156429 /nfs/dbraw/zinc/15/64/29/720156429.db2.gz IFPLGRXRCDXPBT-HSZRJFAPSA-N 1 0 491.567 4.698 20 5 JJBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723148 720483328 /nfs/dbraw/zinc/48/33/28/720483328.db2.gz BXGJCLQPPAHDFZ-JWQCQUIFSA-N 1 0 481.556 4.970 20 5 JJBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723152 720483750 /nfs/dbraw/zinc/48/37/50/720483750.db2.gz BXGJCLQPPAHDFZ-RPBOFIJWSA-N 1 0 481.556 4.970 20 5 JJBDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164733013 720547804 /nfs/dbraw/zinc/54/78/04/720547804.db2.gz HWXFQCNHNDDBDJ-KRWDZBQOSA-N 1 0 495.958 4.766 20 5 JJBDRO CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164733710 720548886 /nfs/dbraw/zinc/54/88/86/720548886.db2.gz PZBNDUGOEBGDOK-KRWDZBQOSA-N 1 0 495.958 4.766 20 5 JJBDRO O=[N+]([O-])c1ccccc1OCc1cc2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164744374 720596324 /nfs/dbraw/zinc/59/63/24/720596324.db2.gz RWDBGTGABDAYBZ-UHFFFAOYSA-N 1 0 498.587 4.577 20 5 JJBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164790005 721457931 /nfs/dbraw/zinc/45/79/31/721457931.db2.gz YXWGKPNXJVFHLZ-IBGZPJMESA-N 1 0 489.016 4.530 20 5 JJBDRO CCc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164795757 721501298 /nfs/dbraw/zinc/50/12/98/721501298.db2.gz LTDYVYDRMHTDLT-UHFFFAOYSA-N 1 0 472.593 4.890 20 5 JJBDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001165021644 721809586 /nfs/dbraw/zinc/80/95/86/721809586.db2.gz FNHBKHSQTMXTRH-LKUPVBHCSA-N 1 0 451.958 4.928 20 5 JJBDRO