smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCCC1 ZINC001305812940 1069343451 /nfs/dbraw/zinc/34/34/51/1069343451.db2.gz BFGUXCDTFLMQGU-HXUWFJFHSA-N 1 0 469.590 3.032 20 5 JGBDRO CC[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001305882472 1069436330 /nfs/dbraw/zinc/43/63/30/1069436330.db2.gz OXTKQWAMBYRWBZ-QPPBQGQZSA-N 1 0 472.590 3.096 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001298621798 1064394356 /nfs/dbraw/zinc/39/43/56/1064394356.db2.gz TVTRVLWJPWJTJF-ICSRJNTNSA-N 1 0 454.531 3.265 20 5 JGBDRO CN(CCOC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([NH+](C)C)CCOCC1 ZINC001298747419 1064559197 /nfs/dbraw/zinc/55/91/97/1064559197.db2.gz AXCLCGRTPNELGA-UHFFFAOYSA-N 1 0 460.579 3.215 20 5 JGBDRO CO[C@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299750281 1064950244 /nfs/dbraw/zinc/95/02/44/1064950244.db2.gz NFBTXVZIPHZYLY-XUZZJYLKSA-N 1 0 472.590 3.096 20 5 JGBDRO COC[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001300957783 1065763728 /nfs/dbraw/zinc/76/37/28/1065763728.db2.gz IZBGBXLSAGTNRX-QMHWCDLVSA-N 1 0 496.616 3.389 20 5 JGBDRO COCC1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001301090335 1065940055 /nfs/dbraw/zinc/94/00/55/1065940055.db2.gz OIHDHKCGXLMLLW-UHFFFAOYSA-N 1 0 485.633 3.132 20 5 JGBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001301358777 1066149504 /nfs/dbraw/zinc/14/95/04/1066149504.db2.gz DJJLRJJDBDVCDK-KNKQGSTJSA-N 1 0 472.590 3.073 20 5 JGBDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCOCC2)CC1 ZINC001302190891 1066672795 /nfs/dbraw/zinc/67/27/95/1066672795.db2.gz INLWCCQFDLGCMJ-UHFFFAOYSA-N 1 0 486.617 3.343 20 5 JGBDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001302195475 1066684380 /nfs/dbraw/zinc/68/43/80/1066684380.db2.gz RODKASRBKOGVEM-QFIPXVFZSA-N 1 0 460.604 3.032 20 5 JGBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC001301783537 1066732588 /nfs/dbraw/zinc/73/25/88/1066732588.db2.gz QNRULCGOOMYWDT-GMAHTHKFSA-N 1 0 450.539 3.207 20 5 JGBDRO CC(C)(C)OC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001302265401 1066820302 /nfs/dbraw/zinc/82/03/02/1066820302.db2.gz CKQJFOCPEHYKKZ-UHFFFAOYSA-N 1 0 485.589 3.300 20 5 JGBDRO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001301880322 1066885462 /nfs/dbraw/zinc/88/54/62/1066885462.db2.gz QHHGJXFMECDVBY-LJQANCHMSA-N 1 0 483.617 3.328 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCSC2)C[C@@H]1C ZINC001301886311 1066897452 /nfs/dbraw/zinc/89/74/52/1066897452.db2.gz VBFQXWZMFCRSFD-ZWKOTPCHSA-N 1 0 460.604 3.153 20 5 JGBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001302683218 1067309178 /nfs/dbraw/zinc/30/91/78/1067309178.db2.gz VEDKFCPDUZKERO-OAQYLSRUSA-N 1 0 482.564 3.473 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001302808719 1067396794 /nfs/dbraw/zinc/39/67/94/1067396794.db2.gz RHNHSSMMPIAHRX-VQTJNVASSA-N 1 0 467.578 3.300 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001302809362 1067398017 /nfs/dbraw/zinc/39/80/17/1067398017.db2.gz VXAGVHZEZYCVRV-FCHUYYIVSA-N 1 0 483.617 3.421 20 5 JGBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCOC(F)F ZINC001302902769 1067488100 /nfs/dbraw/zinc/48/81/00/1067488100.db2.gz OUODASQJJAWRDW-INIZCTEOSA-N 1 0 480.516 3.172 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001303135040 1067674919 /nfs/dbraw/zinc/67/49/19/1067674919.db2.gz JQGACBYIULYJLQ-SFHVURJKSA-N 1 0 468.480 3.497 20 5 JGBDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)F)C1 ZINC001303201836 1067737768 /nfs/dbraw/zinc/73/77/68/1067737768.db2.gz PWVWFFLTNMBOPE-SFHVURJKSA-N 1 0 452.506 3.302 20 5 JGBDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccn(C)n2)CC1 ZINC001303257822 1067784617 /nfs/dbraw/zinc/78/46/17/1067784617.db2.gz ZFUCEVDEVSMRHB-UHFFFAOYSA-N 1 0 466.590 3.386 20 5 JGBDRO CC(C)[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001303264058 1067791652 /nfs/dbraw/zinc/79/16/52/1067791652.db2.gz UOHXKNSMXFKKGQ-UHFFFAOYSA-N 1 0 464.574 3.305 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001303270376 1067799212 /nfs/dbraw/zinc/79/92/12/1067799212.db2.gz JFMIPVNJSNCVIQ-MRXNPFEDSA-N 1 0 469.512 3.266 20 5 JGBDRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC(C)(C)C[NH+](C)C)n1 ZINC001304741806 1067818770 /nfs/dbraw/zinc/81/87/70/1067818770.db2.gz LZISVUSYPSVFDP-UHFFFAOYSA-N 1 0 454.579 3.272 20 5 JGBDRO CC(C)[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC001303299767 1067824437 /nfs/dbraw/zinc/82/44/37/1067824437.db2.gz ZYRDRFKXARYOTR-UHFFFAOYSA-N 1 0 481.605 3.032 20 5 JGBDRO CC(C)[NH+]1CCC(O)(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001303301796 1067826018 /nfs/dbraw/zinc/82/60/18/1067826018.db2.gz QONZFQJSBFOLHD-UHFFFAOYSA-N 1 0 499.660 3.337 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303334176 1067863445 /nfs/dbraw/zinc/86/34/45/1067863445.db2.gz NWUAVBBIYVEJLK-SFHVURJKSA-N 1 0 457.579 3.225 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1CC[NH+]1CCCCCC1 ZINC001303343450 1067871848 /nfs/dbraw/zinc/87/18/48/1067871848.db2.gz MLZCALRMZIZBEI-UHFFFAOYSA-N 1 0 469.590 3.370 20 5 JGBDRO CC(C)[NH+](CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C)C(C)C ZINC001304904470 1067949108 /nfs/dbraw/zinc/94/91/08/1067949108.db2.gz UWTVYJZNZVNCGX-GOSISDBHSA-N 1 0 457.579 3.029 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304911871 1067955732 /nfs/dbraw/zinc/95/57/32/1067955732.db2.gz NFLGIOCJJOMARD-QZTJIDSGSA-N 1 0 492.646 3.091 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001304926513 1067970368 /nfs/dbraw/zinc/97/03/68/1067970368.db2.gz RQFCOHMEWSGEHI-SBHAEUEKSA-N 1 0 483.617 3.184 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001304926517 1067970403 /nfs/dbraw/zinc/97/04/03/1067970403.db2.gz RQFCOHMEWSGEHI-SVFBPWRDSA-N 1 0 483.617 3.184 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)CC2)C1 ZINC001304928652 1067976653 /nfs/dbraw/zinc/97/66/53/1067976653.db2.gz WEGUKRKEZIPJEB-KDURUIRLSA-N 1 0 474.631 3.180 20 5 JGBDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(Cl)cn2)CC1 ZINC001303463548 1067982622 /nfs/dbraw/zinc/98/26/22/1067982622.db2.gz VFOZJYSGWNNKLU-UHFFFAOYSA-N 1 0 458.954 3.370 20 5 JGBDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305045467 1068103184 /nfs/dbraw/zinc/10/31/84/1068103184.db2.gz FRDZVWZJSYFQPF-ICSRJNTNSA-N 1 0 469.590 3.067 20 5 JGBDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001305045468 1068103256 /nfs/dbraw/zinc/10/32/56/1068103256.db2.gz FRDZVWZJSYFQPF-QUCCMNQESA-N 1 0 469.590 3.067 20 5 JGBDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305057861 1068119878 /nfs/dbraw/zinc/11/98/78/1068119878.db2.gz DMNPEHHIDNDHHX-GOSISDBHSA-N 1 0 469.590 3.032 20 5 JGBDRO CC1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001305106990 1068175212 /nfs/dbraw/zinc/17/52/12/1068175212.db2.gz LVIUEUZFXDAQLO-UHFFFAOYSA-N 1 0 482.507 3.479 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001303697221 1068240786 /nfs/dbraw/zinc/24/07/86/1068240786.db2.gz WWMCAUVMFGXVAX-AWEZNQCLSA-N 1 0 468.480 3.230 20 5 JGBDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCCCC2)C1 ZINC001305263424 1068437260 /nfs/dbraw/zinc/43/72/60/1068437260.db2.gz MDDNCDXYUHYDSN-FQEVSTJZSA-N 1 0 469.590 3.224 20 5 JGBDRO CC[C@@H](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305346564 1068586535 /nfs/dbraw/zinc/58/65/35/1068586535.db2.gz FXPGCJLYIFEDDQ-TXTKFYIRSA-N 1 0 486.617 3.463 20 5 JGBDRO CC[C@H](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)OC ZINC001305347902 1068589265 /nfs/dbraw/zinc/58/92/65/1068589265.db2.gz LEHWCNZPOCNIIT-CVDCTZTESA-N 1 0 486.617 3.463 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305526027 1068779568 /nfs/dbraw/zinc/77/95/68/1068779568.db2.gz IZDALAAJWDQKLT-MBSDFSHPSA-N 1 0 473.647 3.464 20 5 JGBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305702233 1069083975 /nfs/dbraw/zinc/08/39/75/1069083975.db2.gz AHTVOXZYECIOCJ-NHCUHLMSSA-N 1 0 492.646 3.233 20 5 JGBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(COC(=O)N2)CC1)[NH+](C)C ZINC001305703317 1069086280 /nfs/dbraw/zinc/08/62/80/1069086280.db2.gz HJXONPLCNPAGOY-FQEVSTJZSA-N 1 0 485.589 3.299 20 5 JGBDRO Cc1nc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164684424 719656197 /nfs/dbraw/zinc/65/61/97/719656197.db2.gz XITCUAVTYYPJJC-KRWDZBQOSA-N 1 0 487.004 3.440 20 5 JGBDRO COC(=O)c1nc(Cl)nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164692275 719805321 /nfs/dbraw/zinc/80/53/21/719805321.db2.gz MGWOCDHBHOXLCL-UHFFFAOYSA-N 1 0 466.951 3.225 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164821443 720307827 /nfs/dbraw/zinc/30/78/27/720307827.db2.gz KRBGDHIRJCLVLU-OALUTQOASA-N 1 0 458.950 3.103 20 5 JGBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164835365 720553937 /nfs/dbraw/zinc/55/39/37/720553937.db2.gz GYXBYDPQUGXERW-RRFJBIMHSA-N 1 0 451.984 3.334 20 5 JGBDRO CCOC(=O)c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164842839 720725023 /nfs/dbraw/zinc/72/50/23/720725023.db2.gz ZFYVROUYFIXRMZ-IBGZPJMESA-N 1 0 454.527 3.426 20 5 JGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744454 720819912 /nfs/dbraw/zinc/81/99/12/720819912.db2.gz UHCBUBQQRPQSQK-IIAWOOMASA-N 1 0 452.346 3.268 20 5 JGBDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164746564 720851128 /nfs/dbraw/zinc/85/11/28/720851128.db2.gz OLPGKQHVCUYVGB-MDNUFGMLSA-N 1 0 474.569 3.331 20 5 JGBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751569 720881400 /nfs/dbraw/zinc/88/14/00/720881400.db2.gz LALSOBRFMZCCTB-WMZHIEFXSA-N 1 0 468.514 3.048 20 5 JGBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)CC[C@H]2C1 ZINC001164859419 720892391 /nfs/dbraw/zinc/89/23/91/720892391.db2.gz QGZBUXMJJMAIFW-MGPUTAFESA-N 1 0 497.930 3.424 20 5 JGBDRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164747290 720928930 /nfs/dbraw/zinc/92/89/30/720928930.db2.gz CPKFXKBFDAISKZ-RLWLMLJZSA-N 1 0 495.580 3.317 20 5 JGBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1 ZINC001164768912 721229530 /nfs/dbraw/zinc/22/95/30/721229530.db2.gz YMXAHWUETTZHSE-ROUUACIJSA-N 1 0 453.934 3.397 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164788571 721461421 /nfs/dbraw/zinc/46/14/21/721461421.db2.gz UFINMWWXYMTMOP-MRXNPFEDSA-N 1 0 486.038 3.494 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164906928 721585316 /nfs/dbraw/zinc/58/53/16/721585316.db2.gz PGZWHQXNDAKNLO-HXUWFJFHSA-N 1 0 496.902 3.348 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165023939 721801600 /nfs/dbraw/zinc/80/16/00/721801600.db2.gz KGUFTIZGBNFWFA-XIRDDKMYSA-N 1 0 474.949 3.347 20 5 JGBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164930197 721889980 /nfs/dbraw/zinc/88/99/80/721889980.db2.gz CLWYXRSFKIXLJZ-RBUKOAKNSA-N 1 0 466.920 3.465 20 5 JGBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164933389 721890214 /nfs/dbraw/zinc/89/02/14/721890214.db2.gz LKEDGZAHNWMVBT-OALUTQOASA-N 1 0 466.920 3.465 20 5 JGBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164933388 721890307 /nfs/dbraw/zinc/89/03/07/721890307.db2.gz LKEDGZAHNWMVBT-MOPGFXCFSA-N 1 0 466.920 3.465 20 5 JGBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964033 722054318 /nfs/dbraw/zinc/05/43/18/722054318.db2.gz RAKIQXXUDRVSAP-UHFFFAOYSA-N 1 0 453.330 3.206 20 5 JGBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164982263 722101546 /nfs/dbraw/zinc/10/15/46/722101546.db2.gz NCXGTOKVZLOWGN-QAPCUYQASA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1F ZINC001164974228 722151212 /nfs/dbraw/zinc/15/12/12/722151212.db2.gz CPLJZBDLUCRFTG-AUSIDOKSSA-N 1 0 464.501 3.313 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971066 722157555 /nfs/dbraw/zinc/15/75/55/722157555.db2.gz AIBQTPGLVFMMQB-JXFKEZNVSA-N 1 0 454.918 3.314 20 5 JGBDRO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC001305825184 1069363635 /nfs/dbraw/zinc/36/36/35/1069363635.db2.gz PHJJPKYAYJGLEV-HXUWFJFHSA-N 1 0 452.563 3.140 20 5 JGBDRO CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301696308 1066584454 /nfs/dbraw/zinc/58/44/54/1066584454.db2.gz MFOSXCIYFXYQTL-UQBPGWFLSA-N 1 0 483.617 3.422 20 5 JGBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1OC ZINC001302410026 1066993456 /nfs/dbraw/zinc/99/34/56/1066993456.db2.gz OKWORACETMGBHG-YUXAGFNASA-N 1 0 472.590 3.071 20 5 JGBDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC001302513412 1067128089 /nfs/dbraw/zinc/12/80/89/1067128089.db2.gz KBDLGFWTBSGCQO-FCHUYYIVSA-N 1 0 472.590 3.215 20 5 JGBDRO CS[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302548041 1067184059 /nfs/dbraw/zinc/18/40/59/1067184059.db2.gz MATNQNNKYBVBQK-KRWDZBQOSA-N 1 0 460.604 3.153 20 5 JGBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001302683643 1067309202 /nfs/dbraw/zinc/30/92/02/1067309202.db2.gz YPAZXWWNTGIXCN-HXUWFJFHSA-N 1 0 456.595 3.152 20 5 JGBDRO CSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001302799919 1067389075 /nfs/dbraw/zinc/38/90/75/1067389075.db2.gz XDRLAUFNMPYVES-QGZVFWFLSA-N 1 0 460.604 3.296 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001302810845 1067399043 /nfs/dbraw/zinc/39/90/43/1067399043.db2.gz CMRBJPMRXKSHOQ-IBGZPJMESA-N 1 0 469.594 3.206 20 5 JGBDRO CC(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001302896298 1067477468 /nfs/dbraw/zinc/47/74/68/1067477468.db2.gz HAFNNTAWLKBPGO-GOSISDBHSA-N 1 0 456.551 3.319 20 5 JGBDRO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001303072843 1067607330 /nfs/dbraw/zinc/60/73/30/1067607330.db2.gz GMXRPAHIUIXGJR-HSZRJFAPSA-N 1 0 485.633 3.131 20 5 JGBDRO Cc1ccccc1Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001304558958 1067627995 /nfs/dbraw/zinc/62/79/95/1067627995.db2.gz HAOSBFCVSAKVRD-UHFFFAOYSA-N 1 0 492.628 3.395 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[NH+]2CCCCCC2)c1 ZINC001303135039 1067674938 /nfs/dbraw/zinc/67/49/38/1067674938.db2.gz JQGACBYIULYJLQ-GOSISDBHSA-N 1 0 468.480 3.497 20 5 JGBDRO CC(C)[NH+](CCn1c(Cc2cccnc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)C(C)C ZINC001303297923 1067822269 /nfs/dbraw/zinc/82/22/69/1067822269.db2.gz WLJGKVMBXZXYEI-UHFFFAOYSA-N 1 0 481.605 3.329 20 5 JGBDRO CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001303311950 1067841068 /nfs/dbraw/zinc/84/10/68/1067841068.db2.gz RZHVOSWYSXPJOP-UHFFFAOYSA-N 1 0 473.484 3.428 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303334473 1067863471 /nfs/dbraw/zinc/86/34/71/1067863471.db2.gz TVPJAHHFLSHWOU-IBGZPJMESA-N 1 0 457.579 3.081 20 5 JGBDRO Cc1noc(C)c1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001304882657 1067927383 /nfs/dbraw/zinc/92/73/83/1067927383.db2.gz SLAQJFSHSBWOSH-UHFFFAOYSA-N 1 0 496.616 3.368 20 5 JGBDRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001305025287 1068080271 /nfs/dbraw/zinc/08/02/71/1068080271.db2.gz LZCAHYXVIUPNMP-RBUKOAKNSA-N 1 0 466.590 3.386 20 5 JGBDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305045466 1068103214 /nfs/dbraw/zinc/10/32/14/1068103214.db2.gz FRDZVWZJSYFQPF-AZUAARDMSA-N 1 0 469.590 3.067 20 5 JGBDRO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC001305081725 1068154238 /nfs/dbraw/zinc/15/42/38/1068154238.db2.gz SLSDQGQCRVHWHS-LVCYWYKZSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+](C)C ZINC001303728589 1068282839 /nfs/dbraw/zinc/28/28/39/1068282839.db2.gz UYBMRERZHMYKAM-HNNXBMFYSA-N 1 0 474.516 3.043 20 5 JGBDRO CC[C@@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305452518 1068688935 /nfs/dbraw/zinc/68/89/35/1068688935.db2.gz HHXHGIHSSWSXNT-LJQANCHMSA-N 1 0 487.653 3.011 20 5 JGBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305526608 1068780230 /nfs/dbraw/zinc/78/02/30/1068780230.db2.gz LFDPMVUKJQWRSP-UYAOXDASSA-N 1 0 458.611 3.398 20 5 JGBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001305608094 1068877598 /nfs/dbraw/zinc/87/75/98/1068877598.db2.gz OOSYJMKIRUMXPI-SFHVURJKSA-N 1 0 479.589 3.455 20 5 JGBDRO CCC(CC)(Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001305688851 1069052639 /nfs/dbraw/zinc/05/26/39/1069052639.db2.gz WUNJTDQAWWIWOH-UHFFFAOYSA-N 1 0 472.590 3.360 20 5 JGBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccn2)CC1)[NH+](C)C ZINC001305702199 1069084011 /nfs/dbraw/zinc/08/40/11/1069084011.db2.gz AFCPZYQZCIQCLW-JOCHJYFZSA-N 1 0 493.616 3.336 20 5 JGBDRO Cc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001164680360 719657424 /nfs/dbraw/zinc/65/74/24/719657424.db2.gz FZZUJZDPMAVXIB-LJQANCHMSA-N 1 0 451.571 3.392 20 5 JGBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3F)CC2)c2ccccc21 ZINC001164685203 719664950 /nfs/dbraw/zinc/66/49/50/719664950.db2.gz YNEYIBCPCLXXJU-KRWDZBQOSA-N 1 0 455.534 3.222 20 5 JGBDRO COc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC001164680108 719665704 /nfs/dbraw/zinc/66/57/04/719665704.db2.gz CKWYTPXRMJACJT-SFHVURJKSA-N 1 0 467.570 3.092 20 5 JGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712716 720127854 /nfs/dbraw/zinc/12/78/54/720127854.db2.gz OPHCJENUGXNMHX-FQEVSTJZSA-N 1 0 469.542 3.069 20 5 JGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164712719 720129094 /nfs/dbraw/zinc/12/90/94/720129094.db2.gz OPHCJENUGXNMHX-HXUWFJFHSA-N 1 0 469.542 3.069 20 5 JGBDRO Cn1nnc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718880 720205520 /nfs/dbraw/zinc/20/55/20/720205520.db2.gz ODYDJRCAVVXNQL-NRFANRHFSA-N 1 0 481.532 3.141 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164821446 720307649 /nfs/dbraw/zinc/30/76/49/720307649.db2.gz KRBGDHIRJCLVLU-RTBURBONSA-N 1 0 458.950 3.103 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1[N+](=O)[O-] ZINC001164829791 720331127 /nfs/dbraw/zinc/33/11/27/720331127.db2.gz NTVAQEAURMKHCA-FCHUYYIVSA-N 1 0 464.570 3.272 20 5 JGBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164748188 720811680 /nfs/dbraw/zinc/81/16/80/720811680.db2.gz PWLOPANAJLPSAA-HYVNUMGLSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737736 720820374 /nfs/dbraw/zinc/82/03/74/720820374.db2.gz CIFQDYFKEDYSEV-WRWLIDTKSA-N 1 0 468.949 3.162 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740156 720822024 /nfs/dbraw/zinc/82/20/24/720822024.db2.gz JFKRANVHCFUSDC-QILLFSRXSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740161 720822151 /nfs/dbraw/zinc/82/21/51/720822151.db2.gz JFKRANVHCFUSDC-YXJHDRRASA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164750361 720852043 /nfs/dbraw/zinc/85/20/43/720852043.db2.gz PNYIUODRYLRRHK-XQBPLPMBSA-N 1 0 460.542 3.023 20 5 JGBDRO COc1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754017 720886889 /nfs/dbraw/zinc/88/68/89/720886889.db2.gz IEAVHPZVBBPXQV-SQJMNOBHSA-N 1 0 467.570 3.457 20 5 JGBDRO CCOC(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164747282 720929700 /nfs/dbraw/zinc/92/97/00/720929700.db2.gz CPKFXKBFDAISKZ-LVXARBLLSA-N 1 0 495.580 3.317 20 5 JGBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C[C@H]3C2)cn1 ZINC001164768911 721229154 /nfs/dbraw/zinc/22/91/54/721229154.db2.gz YMXAHWUETTZHSE-QZTJIDSGSA-N 1 0 453.934 3.397 20 5 JGBDRO CCc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164896118 721440149 /nfs/dbraw/zinc/44/01/49/721440149.db2.gz QOJMOIXFCRKKHC-BVAGGSTKSA-N 1 0 480.613 3.380 20 5 JGBDRO CCc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164896122 721440877 /nfs/dbraw/zinc/44/08/77/721440877.db2.gz QOJMOIXFCRKKHC-OZXSUGGESA-N 1 0 480.613 3.380 20 5 JGBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899790 721444204 /nfs/dbraw/zinc/44/42/04/721444204.db2.gz ZBRUOMIASCOBLM-NTKDMRAZSA-N 1 0 487.004 3.471 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])CC2 ZINC001164788583 721449080 /nfs/dbraw/zinc/44/90/80/721449080.db2.gz RMJSORUZEGTBPI-QGZVFWFLSA-N 1 0 453.971 3.081 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164790636 721466799 /nfs/dbraw/zinc/46/67/99/721466799.db2.gz SYBMBJOBYXCLJI-AZYNXAEESA-N 1 0 473.618 3.256 20 5 JGBDRO CCc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165009457 721746596 /nfs/dbraw/zinc/74/65/96/721746596.db2.gz DQTOZMFPSKUROU-UHFFFAOYSA-N 1 0 452.559 3.137 20 5 JGBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164932290 721890063 /nfs/dbraw/zinc/89/00/63/721890063.db2.gz IGMFKLFKBKVMLS-MOPGFXCFSA-N 1 0 466.920 3.465 20 5 JGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940200 721928627 /nfs/dbraw/zinc/92/86/27/721928627.db2.gz ROAVQLPZHYXQLM-UHFFFAOYSA-N 1 0 454.527 3.346 20 5 JGBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164960539 722053152 /nfs/dbraw/zinc/05/31/52/722053152.db2.gz RQZZSYMJUYNUIK-UHFFFAOYSA-N 1 0 464.979 3.274 20 5 JGBDRO CN(C)/C=C\c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164962317 722059558 /nfs/dbraw/zinc/05/95/58/722059558.db2.gz QUXFIANSZHFFKC-YHYXMXQVSA-N 1 0 452.559 3.036 20 5 JGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164978280 722108422 /nfs/dbraw/zinc/10/84/22/722108422.db2.gz ODTXLURHKGTYJK-UZLBHIALSA-N 1 0 454.918 3.314 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164984647 722133413 /nfs/dbraw/zinc/13/34/13/722133413.db2.gz YFLWSYQIJWTSEK-QPPBQGQZSA-N 1 0 460.538 3.483 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)ccc1F ZINC001164974235 722151435 /nfs/dbraw/zinc/15/14/35/722151435.db2.gz CPLJZBDLUCRFTG-WMZHIEFXSA-N 1 0 464.501 3.313 20 5 JGBDRO CC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305814454 1069346429 /nfs/dbraw/zinc/34/64/29/1069346429.db2.gz HYPXSDOHKUSIMV-HXUWFJFHSA-N 1 0 483.617 3.422 20 5 JGBDRO CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298583795 1064357631 /nfs/dbraw/zinc/35/76/31/1064357631.db2.gz SSIWWWPFUGQBMC-HSZRJFAPSA-N 1 0 490.630 3.126 20 5 JGBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298614350 1064385226 /nfs/dbraw/zinc/38/52/26/1064385226.db2.gz DLOVOKMUEGMNOY-UHFFFAOYSA-N 1 0 471.650 3.480 20 5 JGBDRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001299075298 1064879532 /nfs/dbraw/zinc/87/95/32/1064879532.db2.gz UMWGLPBFCPXSAL-IRFCIJBXSA-N 1 0 483.617 3.184 20 5 JGBDRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCCC1 ZINC001301980192 1066286364 /nfs/dbraw/zinc/28/63/64/1066286364.db2.gz AEJPXUWLFRREOH-ROUUACIJSA-N 1 0 492.646 3.376 20 5 JGBDRO COCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCCCC2)C1 ZINC001301608288 1066455850 /nfs/dbraw/zinc/45/58/50/1066455850.db2.gz ZGANVTVRPKSKID-UHFFFAOYSA-N 1 0 472.590 3.361 20 5 JGBDRO CC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301635832 1066499915 /nfs/dbraw/zinc/49/99/15/1066499915.db2.gz WTILXTOCXXNORO-QHCPKHFHSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H](C)C1 ZINC001301720349 1066622866 /nfs/dbraw/zinc/62/28/66/1066622866.db2.gz CCMGTWYFBGKQJD-RRQZXNHTSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001301721298 1066626322 /nfs/dbraw/zinc/62/63/22/1066626322.db2.gz KGPWAVZWTUGFLU-CTNGQTDRSA-N 1 0 483.617 3.278 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001301722886 1066632143 /nfs/dbraw/zinc/63/21/43/1066632143.db2.gz WIGMIBPAXVUSNJ-HXUWFJFHSA-N 1 0 483.617 3.422 20 5 JGBDRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001301796441 1066747688 /nfs/dbraw/zinc/74/76/88/1066747688.db2.gz YBNTUCUTZYSZBQ-UHFFFAOYSA-N 1 0 457.579 3.077 20 5 JGBDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301818316 1066778168 /nfs/dbraw/zinc/77/81/68/1066778168.db2.gz KKRNUGXIBAFOEL-RXVVDRJESA-N 1 0 469.590 3.079 20 5 JGBDRO CC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301836449 1066806208 /nfs/dbraw/zinc/80/62/08/1066806208.db2.gz LCCBYCBXFGTBCQ-FQEVSTJZSA-N 1 0 483.617 3.326 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001301884831 1066893322 /nfs/dbraw/zinc/89/33/22/1066893322.db2.gz CYJOSIWCHJSNSO-PXNSSMCTSA-N 1 0 460.579 3.071 20 5 JGBDRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCCC2)C1 ZINC001302407640 1066989430 /nfs/dbraw/zinc/98/94/30/1066989430.db2.gz AEKYGYWWOVVUGR-FQEVSTJZSA-N 1 0 469.590 3.080 20 5 JGBDRO C[S@@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001302506527 1067109431 /nfs/dbraw/zinc/10/94/31/1067109431.db2.gz QGVBUWHUEAFHGF-MGBGTMOVSA-N 1 0 474.631 3.465 20 5 JGBDRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+]1CCOCC1 ZINC001302514664 1067131382 /nfs/dbraw/zinc/13/13/82/1067131382.db2.gz FEZZINFLVUDFHA-QHCPKHFHSA-N 1 0 496.616 3.359 20 5 JGBDRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001302520867 1067140142 /nfs/dbraw/zinc/14/01/42/1067140142.db2.gz XTZBDCAKFFRIKK-HSZRJFAPSA-N 1 0 479.585 3.284 20 5 JGBDRO CSC1(Cn2c(C)nnc2N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH+](C)CC1 ZINC001302597670 1067234279 /nfs/dbraw/zinc/23/42/79/1067234279.db2.gz NZGPJMRDJCCDPK-UHFFFAOYSA-N 1 0 460.604 3.370 20 5 JGBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001302682691 1067308512 /nfs/dbraw/zinc/30/85/12/1067308512.db2.gz LJMBJIZDBCXDMH-UHFFFAOYSA-N 1 0 482.564 3.302 20 5 JGBDRO Cc1ccc(-c2nnc(N(C)CCc3ccccc3[N+](=O)[O-])n2CC[NH+]2CCSCC2)o1 ZINC001304302934 1067351014 /nfs/dbraw/zinc/35/10/14/1067351014.db2.gz HXNZWOPECVONJQ-UHFFFAOYSA-N 1 0 456.572 3.482 20 5 JGBDRO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])c4cccnc34)cc2F)CC1 ZINC001302857365 1067440018 /nfs/dbraw/zinc/44/00/18/1067440018.db2.gz DXZINLSUDVXRGJ-UHFFFAOYSA-N 1 0 453.474 3.442 20 5 JGBDRO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302954538 1067526091 /nfs/dbraw/zinc/52/60/91/1067526091.db2.gz DKYHSLXBXVJYJQ-FQEVSTJZSA-N 1 0 470.622 3.227 20 5 JGBDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCC2)CC1 ZINC001303184856 1067718933 /nfs/dbraw/zinc/71/89/33/1067718933.db2.gz XGARFTQNKOMJRN-UHFFFAOYSA-N 1 0 469.590 3.034 20 5 JGBDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccnc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001303204624 1067741698 /nfs/dbraw/zinc/74/16/98/1067741698.db2.gz KUKLWOLIXRKZCO-HSZRJFAPSA-N 1 0 479.585 3.284 20 5 JGBDRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001303224551 1067761245 /nfs/dbraw/zinc/76/12/45/1067761245.db2.gz QFDUAFPOPVKOKP-QFIPXVFZSA-N 1 0 485.633 3.131 20 5 JGBDRO CC(C)[N@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001303261347 1067786954 /nfs/dbraw/zinc/78/69/54/1067786954.db2.gz FTYGIVULICIZGQ-UHFFFAOYSA-N 1 0 499.616 3.200 20 5 JGBDRO CC(C)[N@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ccccn2)CC1 ZINC001303261628 1067788080 /nfs/dbraw/zinc/78/80/80/1067788080.db2.gz PWUJVWRNVDCVNH-UHFFFAOYSA-N 1 0 464.574 3.305 20 5 JGBDRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC2([NH+](C)C)CCC2)n1 ZINC001304741270 1067817050 /nfs/dbraw/zinc/81/70/50/1067817050.db2.gz GTNKMUBLRYKKOD-UHFFFAOYSA-N 1 0 452.563 3.169 20 5 JGBDRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CCC[NH+]2CCCC2)n1 ZINC001304741828 1067818816 /nfs/dbraw/zinc/81/88/16/1067818816.db2.gz MGTHBWMMGHVWRH-UHFFFAOYSA-N 1 0 452.563 3.170 20 5 JGBDRO C[C@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305018671 1068064061 /nfs/dbraw/zinc/06/40/61/1068064061.db2.gz UQUCPVLSYJWOPO-HKUYNNGSSA-N 1 0 455.563 3.038 20 5 JGBDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305023468 1068076394 /nfs/dbraw/zinc/07/63/94/1068076394.db2.gz SGGBRWFWDKYMIB-ROUUACIJSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001305025285 1068080066 /nfs/dbraw/zinc/08/00/66/1068080066.db2.gz LZCAHYXVIUPNMP-MOPGFXCFSA-N 1 0 466.590 3.386 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCC[NH+]1CCC(C)CC1 ZINC001305104588 1068172528 /nfs/dbraw/zinc/17/25/28/1068172528.db2.gz XYFIQLWCBUERPU-UHFFFAOYSA-N 1 0 457.579 3.083 20 5 JGBDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001305114585 1068193030 /nfs/dbraw/zinc/19/30/30/1068193030.db2.gz SRVKXQSATJZKRF-QZTJIDSGSA-N 1 0 480.573 3.168 20 5 JGBDRO C[C@@H](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCCCC1 ZINC001303662073 1068193322 /nfs/dbraw/zinc/19/33/22/1068193322.db2.gz CJGYDMRLLGUKNY-SFHVURJKSA-N 1 0 469.590 3.210 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303697563 1068240912 /nfs/dbraw/zinc/24/09/12/1068240912.db2.gz YKKCCAGPVQNAEK-ZWKOTPCHSA-N 1 0 487.605 3.497 20 5 JGBDRO C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001303726379 1068278651 /nfs/dbraw/zinc/27/86/51/1068278651.db2.gz BYINRWSPFAZODG-MRXNPFEDSA-N 1 0 472.981 3.419 20 5 JGBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001303751591 1068312165 /nfs/dbraw/zinc/31/21/65/1068312165.db2.gz LNGNOILCOJFRTE-LJQANCHMSA-N 1 0 456.595 3.153 20 5 JGBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)OC(C)(C)C ZINC001305219151 1068356463 /nfs/dbraw/zinc/35/64/63/1068356463.db2.gz AYJCXJJSUGNBIF-LPHOPBHVSA-N 1 0 471.562 3.051 20 5 JGBDRO C[C@H](N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CC=CCC2)CC1)C(F)(F)F ZINC001303788132 1068369525 /nfs/dbraw/zinc/36/95/25/1068369525.db2.gz GGJRVRHNELWOLN-KRWDZBQOSA-N 1 0 479.507 3.188 20 5 JGBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164629034 719113921 /nfs/dbraw/zinc/11/39/21/719113921.db2.gz QGLYHSXFWDZJCG-FPOVZHCZSA-N 1 0 496.564 3.300 20 5 JGBDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)CC2 ZINC001164690574 719758512 /nfs/dbraw/zinc/75/85/12/719758512.db2.gz FBYCFAMQZNDYEU-UHFFFAOYSA-N 1 0 494.930 3.431 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164814876 720077866 /nfs/dbraw/zinc/07/78/66/720077866.db2.gz XPRAOCROYKDEHL-YCRPNKLZSA-N 1 0 452.939 3.005 20 5 JGBDRO Cn1nnc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718435 720204728 /nfs/dbraw/zinc/20/47/28/720204728.db2.gz LOCOONFXFFKMIW-OAQYLSRUSA-N 1 0 463.542 3.002 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164819595 720305575 /nfs/dbraw/zinc/30/55/75/720305575.db2.gz DQPNVPOUCZOEDW-LSDHHAIUSA-N 1 0 457.909 3.100 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001164825203 720307733 /nfs/dbraw/zinc/30/77/33/720307733.db2.gz STNKXZUJDWJWHV-ZWKOTPCHSA-N 1 0 458.950 3.103 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164822554 720309528 /nfs/dbraw/zinc/30/95/28/720309528.db2.gz MYUZYOLSGQYFCG-IAGOWNOFSA-N 1 0 457.909 3.100 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1[N+](=O)[O-] ZINC001164829793 720330876 /nfs/dbraw/zinc/33/08/76/720330876.db2.gz NTVAQEAURMKHCA-FGZHOGPDSA-N 1 0 464.570 3.272 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001164831203 720355336 /nfs/dbraw/zinc/35/53/36/720355336.db2.gz XZZKURZTZHJEPV-ZWKOTPCHSA-N 1 0 458.950 3.103 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839408 720514364 /nfs/dbraw/zinc/51/43/64/720514364.db2.gz UBICMPKUVJTNCP-SOLBZPMBSA-N 1 0 476.965 3.394 20 5 JGBDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164746563 720851183 /nfs/dbraw/zinc/85/11/83/720851183.db2.gz OLPGKQHVCUYVGB-AKIFATBCSA-N 1 0 474.569 3.331 20 5 JGBDRO Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754808 720870276 /nfs/dbraw/zinc/87/02/76/720870276.db2.gz SOFKTCQWYMKGQB-AUSIDOKSSA-N 1 0 472.977 3.497 20 5 JGBDRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164755324 720878411 /nfs/dbraw/zinc/87/84/11/720878411.db2.gz WQMCHDULFLTJQD-HYBUGGRVSA-N 1 0 453.543 3.149 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164855558 720929000 /nfs/dbraw/zinc/92/90/00/720929000.db2.gz IMAQHUIKLXUHMU-ZDUSSCGKSA-N 1 0 450.927 3.438 20 5 JGBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3ccc4ccc(Cl)nc4c3n1)CC2 ZINC001164750133 720955534 /nfs/dbraw/zinc/95/55/34/720955534.db2.gz KDKIPDLZOHADOB-UHFFFAOYSA-N 1 0 450.930 3.279 20 5 JGBDRO CCc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164872630 721161069 /nfs/dbraw/zinc/16/10/69/721161069.db2.gz HYCKKOVKXUPNDQ-XZOQPEGZSA-N 1 0 460.538 3.489 20 5 JGBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780116 721347265 /nfs/dbraw/zinc/34/72/65/721347265.db2.gz ZUZKFAYAPOPBFC-QHCPKHFHSA-N 1 0 452.515 3.262 20 5 JGBDRO Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898333 721439447 /nfs/dbraw/zinc/43/94/47/721439447.db2.gz VQRKUEUPXJZKFN-RCZVLFRGSA-N 1 0 466.586 3.126 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165023933 721801594 /nfs/dbraw/zinc/80/15/94/721801594.db2.gz KGUFTIZGBNFWFA-BHYGNILZSA-N 1 0 474.949 3.347 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939271 721920840 /nfs/dbraw/zinc/92/08/40/721920840.db2.gz TZZQVEMAYTXHQV-UHFFFAOYSA-N 1 0 489.960 3.395 20 5 JGBDRO CCOC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939400 721933320 /nfs/dbraw/zinc/93/33/20/721933320.db2.gz KIHCZUNYHACISB-UHFFFAOYSA-N 1 0 454.527 3.346 20 5 JGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164986213 722106942 /nfs/dbraw/zinc/10/69/42/722106942.db2.gz YKCRCPUJOBMMQQ-DOTOQJQBSA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164977319 722109615 /nfs/dbraw/zinc/10/96/15/722109615.db2.gz MNDVTFUSJUKICW-YJBOKZPZSA-N 1 0 453.877 3.310 20 5 JGBDRO CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCCC1 ZINC001305812939 1069343316 /nfs/dbraw/zinc/34/33/16/1069343316.db2.gz BFGUXCDTFLMQGU-FQEVSTJZSA-N 1 0 469.590 3.032 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298621131 1064392717 /nfs/dbraw/zinc/39/27/17/1064392717.db2.gz KQYIPTFKJZWHCZ-CVDCTZTESA-N 1 0 474.631 3.197 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001298621860 1064394299 /nfs/dbraw/zinc/39/42/99/1064394299.db2.gz WDYCCCOHENGPIC-UHFFFAOYSA-N 1 0 466.590 3.388 20 5 JGBDRO COCc1nc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](C(C)C)CC2)cs1 ZINC001301206939 1066030709 /nfs/dbraw/zinc/03/07/09/1066030709.db2.gz MCGULWKVALAZOG-UHFFFAOYSA-N 1 0 457.560 3.035 20 5 JGBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001301363238 1066157787 /nfs/dbraw/zinc/15/77/87/1066157787.db2.gz YILDVWJCMJURSW-JTAQYXEDSA-N 1 0 486.617 3.463 20 5 JGBDRO CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001301543834 1066373000 /nfs/dbraw/zinc/37/30/00/1066373000.db2.gz BFARUAPCUOZTOA-VXKWHMMOSA-N 1 0 450.539 3.494 20 5 JGBDRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001301650404 1066516885 /nfs/dbraw/zinc/51/68/85/1066516885.db2.gz CPECUWOGBDRMFC-LJQANCHMSA-N 1 0 469.590 3.032 20 5 JGBDRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001301653034 1066521497 /nfs/dbraw/zinc/52/14/97/1066521497.db2.gz NXWQXHFHUQHOPA-FQEVSTJZSA-N 1 0 483.617 3.280 20 5 JGBDRO CC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001301837006 1066808350 /nfs/dbraw/zinc/80/83/50/1066808350.db2.gz WQLKYTJJQFWRIE-FQEVSTJZSA-N 1 0 483.598 3.323 20 5 JGBDRO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001301880807 1066886631 /nfs/dbraw/zinc/88/66/31/1066886631.db2.gz VDUWFMWXDLFMNU-UHFFFAOYSA-N 1 0 469.590 3.080 20 5 JGBDRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCC2)C1 ZINC001302407722 1066989490 /nfs/dbraw/zinc/98/94/90/1066989490.db2.gz BPFMJLIXBQUSSU-FQEVSTJZSA-N 1 0 469.590 3.080 20 5 JGBDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC001302513413 1067128275 /nfs/dbraw/zinc/12/82/75/1067128275.db2.gz KBDLGFWTBSGCQO-FGZHOGPDSA-N 1 0 472.590 3.215 20 5 JGBDRO CC(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001302514120 1067130059 /nfs/dbraw/zinc/13/00/59/1067130059.db2.gz NZHZCRFHDIJHQN-GHTZIAJQSA-N 1 0 472.590 3.214 20 5 JGBDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(C)OC[C@@H]1C)[NH+]1CCOCC1 ZINC001302514121 1067130094 /nfs/dbraw/zinc/13/00/94/1067130094.db2.gz NZHZCRFHDIJHQN-RXVVDRJESA-N 1 0 472.590 3.214 20 5 JGBDRO CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH+]1CCOCC1 ZINC001302695612 1067321099 /nfs/dbraw/zinc/32/10/99/1067321099.db2.gz HGBRWTICJAZVLC-HXUWFJFHSA-N 1 0 460.604 3.298 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001302809061 1067397382 /nfs/dbraw/zinc/39/73/82/1067397382.db2.gz TUVDXKAXCDVBIR-WIOPSUGQSA-N 1 0 485.633 3.131 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001302809059 1067397517 /nfs/dbraw/zinc/39/75/17/1067397517.db2.gz TUVDXKAXCDVBIR-RCZVLFRGSA-N 1 0 485.633 3.131 20 5 JGBDRO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302954539 1067525989 /nfs/dbraw/zinc/52/59/89/1067525989.db2.gz DKYHSLXBXVJYJQ-HXUWFJFHSA-N 1 0 470.622 3.227 20 5 JGBDRO Cc1cccc(OCc2nnc(N3CCC(n4cc([N+](=O)[O-])cn4)CC3)n2CC[N@@H+](C)C(C)C)c1 ZINC001304507588 1067581458 /nfs/dbraw/zinc/58/14/58/1067581458.db2.gz SDVKTRMTUODFPF-UHFFFAOYSA-N 1 0 482.589 3.452 20 5 JGBDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccnc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001303204625 1067741781 /nfs/dbraw/zinc/74/17/81/1067741781.db2.gz KUKLWOLIXRKZCO-QHCPKHFHSA-N 1 0 479.585 3.284 20 5 JGBDRO CC(C)COC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001303214273 1067751663 /nfs/dbraw/zinc/75/16/63/1067751663.db2.gz DTBBYJJAHGFOOD-NRFANRHFSA-N 1 0 485.589 3.108 20 5 JGBDRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001303224550 1067761302 /nfs/dbraw/zinc/76/13/02/1067761302.db2.gz QFDUAFPOPVKOKP-JOCHJYFZSA-N 1 0 485.633 3.131 20 5 JGBDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@@](C)=O)CC2)CC1 ZINC001303256683 1067783768 /nfs/dbraw/zinc/78/37/68/1067783768.db2.gz OMPLKQRXLQBPNI-MGBGTMOVSA-N 1 0 474.631 3.321 20 5 JGBDRO CC(C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001303277132 1067804567 /nfs/dbraw/zinc/80/45/67/1067804567.db2.gz SBCQPVKJKGDPRJ-OAQYLSRUSA-N 1 0 457.579 3.095 20 5 JGBDRO CC(C)[NH+](CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC001303298218 1067822494 /nfs/dbraw/zinc/82/24/94/1067822494.db2.gz QBULMWIYZLPAFQ-JOCHJYFZSA-N 1 0 471.606 3.483 20 5 JGBDRO CC(C)[NH+]1CCC(O)(Cn2c(C3CCC3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001303301831 1067826152 /nfs/dbraw/zinc/82/61/52/1067826152.db2.gz SCCGQVXHUVKIHC-UHFFFAOYSA-N 1 0 456.591 3.368 20 5 JGBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303307391 1067835152 /nfs/dbraw/zinc/83/51/52/1067835152.db2.gz DKBLYSBRMZUSGQ-UHFFFAOYSA-N 1 0 469.512 3.268 20 5 JGBDRO CC(C)NC(=O)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303377917 1067907748 /nfs/dbraw/zinc/90/77/48/1067907748.db2.gz HQUNUUZEHIMKRU-UHFFFAOYSA-N 1 0 469.590 3.009 20 5 JGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)CC2)C1 ZINC001304928653 1067976647 /nfs/dbraw/zinc/97/66/47/1067976647.db2.gz WEGUKRKEZIPJEB-OALUTQOASA-N 1 0 474.631 3.180 20 5 JGBDRO CC(C)OC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCCC2)CCO1 ZINC001303532238 1068061772 /nfs/dbraw/zinc/06/17/72/1068061772.db2.gz YBDWNBJDLSCCBZ-JOCHJYFZSA-N 1 0 472.590 3.360 20 5 JGBDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305058515 1068121182 /nfs/dbraw/zinc/12/11/82/1068121182.db2.gz HJEPYTNHLDCARL-IRXDYDNUSA-N 1 0 481.523 3.410 20 5 JGBDRO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC001305081724 1068154167 /nfs/dbraw/zinc/15/41/67/1068154167.db2.gz SLSDQGQCRVHWHS-LQWHRVPQSA-N 1 0 469.590 3.031 20 5 JGBDRO CC1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001305107489 1068176350 /nfs/dbraw/zinc/17/63/50/1068176350.db2.gz PHUFPLLYZYFEER-UHFFFAOYSA-N 1 0 469.590 3.067 20 5 JGBDRO CC1CC[NH+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305108502 1068178014 /nfs/dbraw/zinc/17/80/14/1068178014.db2.gz XEASWKUCBVJAIP-OYRHEFFESA-N 1 0 485.633 3.131 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)[NH+](C)C ZINC001303695763 1068239107 /nfs/dbraw/zinc/23/91/07/1068239107.db2.gz KCDPWLKWZHTJEW-ZDUSSCGKSA-N 1 0 468.543 3.150 20 5 JGBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305142851 1068240820 /nfs/dbraw/zinc/24/08/20/1068240820.db2.gz PPGMJTBTWPFJKJ-WIYYLYMNSA-N 1 0 472.590 3.094 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001305145585 1068246590 /nfs/dbraw/zinc/24/65/90/1068246590.db2.gz ZDVZFGJPYJGDTK-GJYPPUQNSA-N 1 0 473.578 3.153 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001305145587 1068247058 /nfs/dbraw/zinc/24/70/58/1068247058.db2.gz ZDVZFGJPYJGDTK-JTDSTZFVSA-N 1 0 473.578 3.153 20 5 JGBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)OC(C)(C)C ZINC001305219150 1068356443 /nfs/dbraw/zinc/35/64/43/1068356443.db2.gz AYJCXJJSUGNBIF-APWZRJJASA-N 1 0 471.562 3.051 20 5 JGBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+](C)C ZINC001305703272 1069086233 /nfs/dbraw/zinc/08/62/33/1069086233.db2.gz GVXJGAUFEBBVJT-VGSWGCGISA-N 1 0 471.606 3.277 20 5 JGBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@@H]1C)[NH+](C)C ZINC001305703270 1069086307 /nfs/dbraw/zinc/08/63/07/1069086307.db2.gz GVXJGAUFEBBVJT-JTSKRJEESA-N 1 0 471.606 3.277 20 5 JGBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+](C)C ZINC001305703271 1069086313 /nfs/dbraw/zinc/08/63/13/1069086313.db2.gz GVXJGAUFEBBVJT-VGOFRKELSA-N 1 0 471.606 3.277 20 5 JGBDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164620348 719007259 /nfs/dbraw/zinc/00/72/59/719007259.db2.gz YMUKMDPHGJKHSS-HNAYVOBHSA-N 1 0 458.893 3.337 20 5 JGBDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164619253 719008122 /nfs/dbraw/zinc/00/81/22/719008122.db2.gz UVYGLMMMJNSMCV-KXBFYZLASA-N 1 0 458.893 3.337 20 5 JGBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164680656 719661886 /nfs/dbraw/zinc/66/18/86/719661886.db2.gz HASBRKFCHJXCND-KRWDZBQOSA-N 1 0 455.534 3.222 20 5 JGBDRO COc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC001164682957 719666577 /nfs/dbraw/zinc/66/65/77/719666577.db2.gz QDYGMZFDLIQTCE-GOSISDBHSA-N 1 0 467.570 3.092 20 5 JGBDRO Cn1nnc2c1CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164717666 720178420 /nfs/dbraw/zinc/17/84/20/720178420.db2.gz LEDQNUJZPFTRQO-SFHVURJKSA-N 1 0 471.949 3.141 20 5 JGBDRO Cn1nnc2c1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717668 720201811 /nfs/dbraw/zinc/20/18/11/720201811.db2.gz VWPUYOSEMLIIIK-OAQYLSRUSA-N 1 0 498.975 3.050 20 5 JGBDRO Cn1nnc2c1CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717665 720201912 /nfs/dbraw/zinc/20/19/12/720201912.db2.gz VWPUYOSEMLIIIK-NRFANRHFSA-N 1 0 498.975 3.050 20 5 JGBDRO Cn1nnc2c1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1 ZINC001164716877 720206185 /nfs/dbraw/zinc/20/61/85/720206185.db2.gz GEPSHTZEAZWTOO-FQEVSTJZSA-N 1 0 471.949 3.141 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001164825195 720307475 /nfs/dbraw/zinc/30/74/75/720307475.db2.gz STNKXZUJDWJWHV-QZTJIDSGSA-N 1 0 458.950 3.103 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164822552 720309165 /nfs/dbraw/zinc/30/91/65/720309165.db2.gz MYUZYOLSGQYFCG-DLBZAZTESA-N 1 0 457.909 3.100 20 5 JGBDRO Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164829970 720343372 /nfs/dbraw/zinc/34/33/72/720343372.db2.gz UPUMPDDGEOGUCF-YADHBBJMSA-N 1 0 464.570 3.272 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839409 720513779 /nfs/dbraw/zinc/51/37/79/720513779.db2.gz UBICMPKUVJTNCP-XYJFISCASA-N 1 0 476.965 3.394 20 5 JGBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164748183 720811432 /nfs/dbraw/zinc/81/14/32/720811432.db2.gz PWLOPANAJLPSAA-BHYGNILZSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164742732 720818497 /nfs/dbraw/zinc/81/84/97/720818497.db2.gz QRPZXRKJTDWVPD-HRCADAONSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164748386 720846014 /nfs/dbraw/zinc/84/60/14/720846014.db2.gz UPZLDVWYUOPMDW-IEIRFRATSA-N 1 0 460.542 3.023 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164753855 720860598 /nfs/dbraw/zinc/86/05/98/720860598.db2.gz YTRJNMOEBRWPFG-VDZJLULYSA-N 1 0 468.949 3.162 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164753848 720860656 /nfs/dbraw/zinc/86/06/56/720860656.db2.gz YTRJNMOEBRWPFG-KVSKMBFKSA-N 1 0 468.949 3.162 20 5 JGBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)CC[C@@H]2C1 ZINC001164859420 720892616 /nfs/dbraw/zinc/89/26/16/720892616.db2.gz QGZBUXMJJMAIFW-QRWLVFNGSA-N 1 0 497.930 3.424 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164855556 720929848 /nfs/dbraw/zinc/92/98/48/720929848.db2.gz IMAQHUIKLXUHMU-CYBMUJFWSA-N 1 0 450.927 3.438 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164788657 721453887 /nfs/dbraw/zinc/45/38/87/721453887.db2.gz SDDGCABFXSOFSP-FQEVSTJZSA-N 1 0 455.559 3.272 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164788637 721458412 /nfs/dbraw/zinc/45/84/12/721458412.db2.gz UZJPUMLQLKVQPQ-FQEVSTJZSA-N 1 0 455.559 3.272 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901457 721515175 /nfs/dbraw/zinc/51/51/75/721515175.db2.gz XPITTYKZIIYCEL-GOEBONIOSA-N 1 0 464.881 3.301 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165023935 721801748 /nfs/dbraw/zinc/80/17/48/721801748.db2.gz KGUFTIZGBNFWFA-UAGQMJEPSA-N 1 0 474.949 3.347 20 5 JGBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164932293 721890126 /nfs/dbraw/zinc/89/01/26/721890126.db2.gz IGMFKLFKBKVMLS-RTBURBONSA-N 1 0 466.920 3.465 20 5 JGBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164982260 722101418 /nfs/dbraw/zinc/10/14/18/722101418.db2.gz NCXGTOKVZLOWGN-MAUKXSAKSA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164986218 722107138 /nfs/dbraw/zinc/10/71/38/722107138.db2.gz YKCRCPUJOBMMQQ-RDJZCZTQSA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981659 722142378 /nfs/dbraw/zinc/14/23/78/722142378.db2.gz PXUYXKUPUPORGV-UONOGXRCSA-N 1 0 472.855 3.179 20 5 JGBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981656 722142606 /nfs/dbraw/zinc/14/26/06/722142606.db2.gz PXUYXKUPUPORGV-KGLIPLIRSA-N 1 0 472.855 3.179 20 5 JGBDRO CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001305822859 1069359332 /nfs/dbraw/zinc/35/93/32/1069359332.db2.gz CPSIRWNCRKPNJQ-LJQANCHMSA-N 1 0 450.547 3.197 20 5 JGBDRO CN(Cc1cscn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH+]1CCOCC1 ZINC001298432022 1064249150 /nfs/dbraw/zinc/24/91/50/1064249150.db2.gz JKKTUYWWPYGOFE-UHFFFAOYSA-N 1 0 457.560 3.059 20 5 JGBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(CC(C)(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001298616122 1064387989 /nfs/dbraw/zinc/38/79/89/1064387989.db2.gz SCDAYSJSCAHQER-UHFFFAOYSA-N 1 0 458.607 3.301 20 5 JGBDRO COC[C@@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001301237020 1066054745 /nfs/dbraw/zinc/05/47/45/1066054745.db2.gz KULSAOYVBKWCPT-HXUWFJFHSA-N 1 0 485.633 3.132 20 5 JGBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001301296725 1066101820 /nfs/dbraw/zinc/10/18/20/1066101820.db2.gz AWDIWWJSJIQDFV-OALUTQOASA-N 1 0 472.590 3.215 20 5 JGBDRO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301362463 1066156895 /nfs/dbraw/zinc/15/68/95/1066156895.db2.gz VQNBIFIQLZWKKV-YADHBBJMSA-N 1 0 472.590 3.215 20 5 JGBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301363240 1066157739 /nfs/dbraw/zinc/15/77/39/1066157739.db2.gz YILDVWJCMJURSW-MZKRTTBSSA-N 1 0 486.617 3.463 20 5 JGBDRO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301363246 1066158182 /nfs/dbraw/zinc/15/81/82/1066158182.db2.gz YILDVWJCMJURSW-ZRCGQRJVSA-N 1 0 486.617 3.463 20 5 JGBDRO CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001301543833 1066372861 /nfs/dbraw/zinc/37/28/61/1066372861.db2.gz BFARUAPCUOZTOA-FGZHOGPDSA-N 1 0 450.539 3.494 20 5 JGBDRO COCCC[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2sccc2C1 ZINC001301608174 1066455220 /nfs/dbraw/zinc/45/52/20/1066455220.db2.gz XFOWBCSVBDNXPG-UHFFFAOYSA-N 1 0 456.572 3.446 20 5 JGBDRO CC(=O)N(C)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001301635830 1066499913 /nfs/dbraw/zinc/49/99/13/1066499913.db2.gz WTILXTOCXXNORO-HSZRJFAPSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001301695872 1066583946 /nfs/dbraw/zinc/58/39/46/1066583946.db2.gz HIDJYTTVRQFDMT-OAQYLSRUSA-N 1 0 469.590 3.032 20 5 JGBDRO CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301696307 1066584556 /nfs/dbraw/zinc/58/45/56/1066584556.db2.gz MFOSXCIYFXYQTL-KBMIEXCESA-N 1 0 483.617 3.422 20 5 JGBDRO COCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001301725954 1066641658 /nfs/dbraw/zinc/64/16/58/1066641658.db2.gz LHXFDQGNBHKCTM-UHFFFAOYSA-N 1 0 488.980 3.123 20 5 JGBDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2COCCO2)CC1 ZINC001302191168 1066673411 /nfs/dbraw/zinc/67/34/11/1066673411.db2.gz STXFSGXUXZXZPH-OAQYLSRUSA-N 1 0 472.590 3.217 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)C[C@@H]1C ZINC001301885230 1066894047 /nfs/dbraw/zinc/89/40/47/1066894047.db2.gz GWZNLERYMRUYOB-INIZCTEOSA-N 1 0 471.949 3.107 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)C2CCCCC2)C[C@H]1C ZINC001301886198 1066896397 /nfs/dbraw/zinc/89/63/97/1066896397.db2.gz SISGBUGOWBBDBR-KBMIEXCESA-N 1 0 486.617 3.342 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001301886200 1066896450 /nfs/dbraw/zinc/89/64/50/1066896450.db2.gz SISGBUGOWBBDBR-UQBPGWFLSA-N 1 0 486.617 3.342 20 5 JGBDRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+]1CCOCC1 ZINC001302514662 1067131320 /nfs/dbraw/zinc/13/13/20/1067131320.db2.gz FEZZINFLVUDFHA-HSZRJFAPSA-N 1 0 496.616 3.359 20 5 JGBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001304187634 1067237362 /nfs/dbraw/zinc/23/73/62/1067237362.db2.gz SITWFTHWLSMIOW-HXUWFJFHSA-N 1 0 454.575 3.441 20 5 JGBDRO CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[NH+]1CCOCC1 ZINC001302695611 1067321138 /nfs/dbraw/zinc/32/11/38/1067321138.db2.gz HGBRWTICJAZVLC-FQEVSTJZSA-N 1 0 460.604 3.298 20 5 JGBDRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001302802933 1067391617 /nfs/dbraw/zinc/39/16/17/1067391617.db2.gz HACABFZVNPZPJK-NRFANRHFSA-N 1 0 492.584 3.373 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001302809580 1067398353 /nfs/dbraw/zinc/39/83/53/1067398353.db2.gz XCMUSNXYRAQZDR-HXUWFJFHSA-N 1 0 465.558 3.493 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC001302811188 1067399082 /nfs/dbraw/zinc/39/90/82/1067399082.db2.gz FFRVJKMHXHLCBT-JOCHJYFZSA-N 1 0 480.617 3.495 20 5 JGBDRO CC(C)C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001302820390 1067407881 /nfs/dbraw/zinc/40/78/81/1067407881.db2.gz PKXUEXOUFNYSTO-QUCCMNQESA-N 1 0 474.610 3.095 20 5 JGBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](C)C2CCCCC2)CC1=O ZINC001303182831 1067714712 /nfs/dbraw/zinc/71/47/12/1067714712.db2.gz CYIPJSLOGKQERQ-UHFFFAOYSA-N 1 0 483.617 3.422 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001303270753 1067799696 /nfs/dbraw/zinc/79/96/96/1067799696.db2.gz LCCBUKMOPWVTPM-IBGZPJMESA-N 1 0 471.606 3.325 20 5 JGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001303284341 1067810884 /nfs/dbraw/zinc/81/08/84/1067810884.db2.gz KSDMOWOTCQQBHS-HSZRJFAPSA-N 1 0 484.630 3.439 20 5 JGBDRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001303291927 1067817039 /nfs/dbraw/zinc/81/70/39/1067817039.db2.gz PFISOUPOEYZACB-NRFANRHFSA-N 1 0 469.590 3.209 20 5 JGBDRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001303301200 1067825266 /nfs/dbraw/zinc/82/52/66/1067825266.db2.gz CBAUNCXHZDYGKD-OAQYLSRUSA-N 1 0 472.590 3.300 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001303334175 1067863485 /nfs/dbraw/zinc/86/34/85/1067863485.db2.gz NWUAVBBIYVEJLK-GOSISDBHSA-N 1 0 457.579 3.225 20 5 JGBDRO CC(C)NC(=O)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC[NH+](C(C)C)C(C)C ZINC001303377438 1067907560 /nfs/dbraw/zinc/90/75/60/1067907560.db2.gz FOZKOLAOMVJIBY-UHFFFAOYSA-N 1 0 457.579 3.006 20 5 JGBDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981732 1068022041 /nfs/dbraw/zinc/02/20/41/1068022041.db2.gz ADNJQUJPHONLBB-HOYKHHGWSA-N 1 0 471.606 3.325 20 5 JGBDRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305023155 1068075539 /nfs/dbraw/zinc/07/55/39/1068075539.db2.gz QJOMJXAXEZIMBN-ZWKOTPCHSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001305023464 1068076474 /nfs/dbraw/zinc/07/64/74/1068076474.db2.gz SGGBRWFWDKYMIB-MSOLQXFVSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@H](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCCCC1 ZINC001303662070 1068193425 /nfs/dbraw/zinc/19/34/25/1068193425.db2.gz CJGYDMRLLGUKNY-GOSISDBHSA-N 1 0 469.590 3.210 20 5 JGBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)[NH+](C)C)CCN1CC(F)(F)F ZINC001305144816 1068244902 /nfs/dbraw/zinc/24/49/02/1068244902.db2.gz UIZVDWWDBFYOLH-BEFAXECRSA-N 1 0 481.523 3.266 20 5 JGBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)[NH+](C)C)CCN1CC(F)(F)F ZINC001305144818 1068244937 /nfs/dbraw/zinc/24/49/37/1068244937.db2.gz UIZVDWWDBFYOLH-HNAYVOBHSA-N 1 0 481.523 3.266 20 5 JGBDRO C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001303726378 1068278620 /nfs/dbraw/zinc/27/86/20/1068278620.db2.gz BYINRWSPFAZODG-INIZCTEOSA-N 1 0 472.981 3.419 20 5 JGBDRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+](C)C ZINC001303728590 1068282879 /nfs/dbraw/zinc/28/28/79/1068282879.db2.gz UYBMRERZHMYKAM-OAHLLOKOSA-N 1 0 474.516 3.043 20 5 JGBDRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC001303750587 1068310128 /nfs/dbraw/zinc/31/01/28/1068310128.db2.gz CQVAVAGOHHQORB-LJQANCHMSA-N 1 0 466.590 3.388 20 5 JGBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)OC(C)(C)C ZINC001305219152 1068356358 /nfs/dbraw/zinc/35/63/58/1068356358.db2.gz AYJCXJJSUGNBIF-QFBILLFUSA-N 1 0 471.562 3.051 20 5 JGBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305607815 1068877444 /nfs/dbraw/zinc/87/74/44/1068877444.db2.gz OIOIYIANYIEOEO-SFHVURJKSA-N 1 0 471.606 3.278 20 5 JGBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001305705228 1069092622 /nfs/dbraw/zinc/09/26/22/1069092622.db2.gz PAPVSWLXFJFQTO-YADHBBJMSA-N 1 0 472.590 3.215 20 5 JGBDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)ncc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164683444 719657130 /nfs/dbraw/zinc/65/71/30/719657130.db2.gz VOGOHTNFZCAUKF-INIZCTEOSA-N 1 0 472.977 3.132 20 5 JGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680633 719657345 /nfs/dbraw/zinc/65/73/45/719657345.db2.gz GMOGYSKAKADEFH-IBGZPJMESA-N 1 0 451.571 3.392 20 5 JGBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc([N+](=O)[O-])cc3F)CC2)c2ccccc21 ZINC001164685209 719664931 /nfs/dbraw/zinc/66/49/31/719664931.db2.gz YNEYIBCPCLXXJU-QGZVFWFLSA-N 1 0 455.534 3.222 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164814874 720078533 /nfs/dbraw/zinc/07/85/33/720078533.db2.gz XPRAOCROYKDEHL-QVKFZJNVSA-N 1 0 452.939 3.005 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164825949 720292244 /nfs/dbraw/zinc/29/22/44/720292244.db2.gz UUVJADOYJYIADM-HZPDHXFCSA-N 1 0 457.909 3.100 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164819593 720305143 /nfs/dbraw/zinc/30/51/43/720305143.db2.gz DQPNVPOUCZOEDW-GJZGRUSLSA-N 1 0 457.909 3.100 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164822557 720309612 /nfs/dbraw/zinc/30/96/12/720309612.db2.gz MYUZYOLSGQYFCG-SJORKVTESA-N 1 0 457.909 3.100 20 5 JGBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838916 720515405 /nfs/dbraw/zinc/51/54/05/720515405.db2.gz RXCFJXYSWQDMQX-RBSFLKMASA-N 1 0 451.984 3.334 20 5 JGBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164750349 720852201 /nfs/dbraw/zinc/85/22/01/720852201.db2.gz PNYIUODRYLRRHK-NNMXDRDESA-N 1 0 460.542 3.023 20 5 JGBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)CC[C@H]2C1 ZINC001164863642 720891616 /nfs/dbraw/zinc/89/16/16/720891616.db2.gz SXJCRDXTXDIONB-OXJNMPFZSA-N 1 0 497.930 3.424 20 5 JGBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757190 720892618 /nfs/dbraw/zinc/89/26/18/720892618.db2.gz UFCAAZZBBBGGPK-XXBNENTESA-N 1 0 473.961 3.032 20 5 JGBDRO CCc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164872625 721160247 /nfs/dbraw/zinc/16/02/47/721160247.db2.gz HYCKKOVKXUPNDQ-GOTSBHOMSA-N 1 0 460.538 3.489 20 5 JGBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164784263 721373163 /nfs/dbraw/zinc/37/31/63/721373163.db2.gz RCCWLZVBPFXICF-HSZRJFAPSA-N 1 0 452.515 3.262 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898639 721426349 /nfs/dbraw/zinc/42/63/49/721426349.db2.gz WGKXKKQVIRLWOC-PXDATVDWSA-N 1 0 466.586 3.126 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901456 721515662 /nfs/dbraw/zinc/51/56/62/721515662.db2.gz XPITTYKZIIYCEL-GDBMZVCRSA-N 1 0 464.881 3.301 20 5 JGBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164932292 721890277 /nfs/dbraw/zinc/89/02/77/721890277.db2.gz IGMFKLFKBKVMLS-RBUKOAKNSA-N 1 0 466.920 3.465 20 5 JGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164978265 722108243 /nfs/dbraw/zinc/10/82/43/722108243.db2.gz ODTXLURHKGTYJK-JXFKEZNVSA-N 1 0 454.918 3.314 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1F ZINC001164974231 722151142 /nfs/dbraw/zinc/15/11/42/722151142.db2.gz CPLJZBDLUCRFTG-CVDCTZTESA-N 1 0 464.501 3.313 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971069 722156921 /nfs/dbraw/zinc/15/69/21/722156921.db2.gz AIBQTPGLVFMMQB-OXQOHEQNSA-N 1 0 454.918 3.314 20 5 JGBDRO Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165004307 722257171 /nfs/dbraw/zinc/25/71/71/722257171.db2.gz PZQCTSKCBBFMTF-UHFFFAOYSA-N 1 0 451.531 3.045 20 5 JGBDRO CC[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001305882476 1069436466 /nfs/dbraw/zinc/43/64/66/1069436466.db2.gz OXTKQWAMBYRWBZ-XUZZJYLKSA-N 1 0 472.590 3.096 20 5 JGBDRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001298209120 1064127099 /nfs/dbraw/zinc/12/70/99/1064127099.db2.gz QUSGETWDOQIJGF-UHFFFAOYSA-N 1 0 497.625 3.324 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298621132 1064392609 /nfs/dbraw/zinc/39/26/09/1064392609.db2.gz KQYIPTFKJZWHCZ-WMZHIEFXSA-N 1 0 474.631 3.197 20 5 JGBDRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001299075299 1064879433 /nfs/dbraw/zinc/87/94/33/1064879433.db2.gz UMWGLPBFCPXSAL-SFHLNBCPSA-N 1 0 483.617 3.184 20 5 JGBDRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299075300 1064880192 /nfs/dbraw/zinc/88/01/92/1064880192.db2.gz UMWGLPBFCPXSAL-SVFBPWRDSA-N 1 0 483.617 3.184 20 5 JGBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)ccc1[N+](=O)[O-] ZINC001301597055 1066440892 /nfs/dbraw/zinc/44/08/92/1066440892.db2.gz AJNRFHAZVYOUDV-QHCPKHFHSA-N 1 0 459.506 3.385 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](C)C1 ZINC001301720347 1066622900 /nfs/dbraw/zinc/62/29/00/1066622900.db2.gz CCMGTWYFBGKQJD-CEYNDMKZSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(C)(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCC[NH+]1CCCCC1 ZINC001302166557 1066630462 /nfs/dbraw/zinc/63/04/62/1066630462.db2.gz XEQIRXJUZBKQLR-UHFFFAOYSA-N 1 0 470.622 3.373 20 5 JGBDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)c2ccco2)CC1 ZINC001302190951 1066672785 /nfs/dbraw/zinc/67/27/85/1066672785.db2.gz KIHQHYMOQNDOCE-UHFFFAOYSA-N 1 0 495.584 3.435 20 5 JGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001301878148 1066881228 /nfs/dbraw/zinc/88/12/28/1066881228.db2.gz BLXRWDRMSAMMTD-NZSAHSFTSA-N 1 0 456.568 3.288 20 5 JGBDRO CC(C)(C)[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001302320462 1066917832 /nfs/dbraw/zinc/91/78/32/1066917832.db2.gz ICHLPUMXEHKUCV-KGMZSHBCSA-N 1 0 474.631 3.465 20 5 JGBDRO CC1CC[NH+](CC[C@H]2CCCN2C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC001302476292 1067078401 /nfs/dbraw/zinc/07/84/01/1067078401.db2.gz KFIJUBQZGAQQJZ-MRXNPFEDSA-N 1 0 450.486 3.146 20 5 JGBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001304187633 1067237375 /nfs/dbraw/zinc/23/73/75/1067237375.db2.gz SITWFTHWLSMIOW-FQEVSTJZSA-N 1 0 454.575 3.441 20 5 JGBDRO CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCC(O)CC1 ZINC001302695326 1067320723 /nfs/dbraw/zinc/32/07/23/1067320723.db2.gz GKGJUGMKKWEMRR-LJQANCHMSA-N 1 0 460.604 3.032 20 5 JGBDRO CSC[C@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302696894 1067322369 /nfs/dbraw/zinc/32/23/69/1067322369.db2.gz QPPRPGVXXJXTMX-HXUWFJFHSA-N 1 0 473.647 3.211 20 5 JGBDRO CSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302799868 1067388963 /nfs/dbraw/zinc/38/89/63/1067388963.db2.gz VYSYICKCWPUMOC-NRFANRHFSA-N 1 0 473.647 3.211 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001302809141 1067397887 /nfs/dbraw/zinc/39/78/87/1067397887.db2.gz UVIRRMUWKIRQKK-FGZHOGPDSA-N 1 0 482.589 3.141 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2=O)C1)[NH+](C)C ZINC001302809364 1067398162 /nfs/dbraw/zinc/39/81/62/1067398162.db2.gz VXAGVHZEZYCVRV-VXKWHMMOSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001303174590 1067708068 /nfs/dbraw/zinc/70/80/68/1067708068.db2.gz YYCROJWKRAULQK-LJQANCHMSA-N 1 0 483.617 3.255 20 5 JGBDRO Cc1nc(Cc2nnc(N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001304669355 1067737429 /nfs/dbraw/zinc/73/74/29/1067737429.db2.gz HMYABXSIWYDFMU-UHFFFAOYSA-N 1 0 484.630 3.209 20 5 JGBDRO CC(C)[N@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001303261481 1067787385 /nfs/dbraw/zinc/78/73/85/1067787385.db2.gz JVUJTCHWCKIEHG-QGZVFWFLSA-N 1 0 456.469 3.351 20 5 JGBDRO CC(C)[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001303277131 1067804413 /nfs/dbraw/zinc/80/44/13/1067804413.db2.gz SBCQPVKJKGDPRJ-NRFANRHFSA-N 1 0 457.579 3.095 20 5 JGBDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303302077 1067826677 /nfs/dbraw/zinc/82/66/77/1067826677.db2.gz AUHCRNQWGUJTNG-HXUWFJFHSA-N 1 0 483.617 3.222 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001303333829 1067862504 /nfs/dbraw/zinc/86/25/04/1067862504.db2.gz BCMCZRVMXBRHSJ-FQEVSTJZSA-N 1 0 457.579 3.081 20 5 JGBDRO Cc1noc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC([NH2+]C(C)C)CC2)n1 ZINC001304894661 1067939106 /nfs/dbraw/zinc/93/91/06/1067939106.db2.gz QNQCCPCWEZRXBL-UHFFFAOYSA-N 1 0 454.535 3.144 20 5 JGBDRO CC(C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001303424884 1067949210 /nfs/dbraw/zinc/94/92/10/1067949210.db2.gz AEWYTBIGCNYFEL-UHFFFAOYSA-N 1 0 469.590 3.223 20 5 JGBDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303435953 1067959175 /nfs/dbraw/zinc/95/91/75/1067959175.db2.gz JKDKEEHEHFDPON-LJQANCHMSA-N 1 0 471.587 3.179 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001304926515 1067970442 /nfs/dbraw/zinc/97/04/42/1067970442.db2.gz RQFCOHMEWSGEHI-SFHLNBCPSA-N 1 0 483.617 3.184 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001304927171 1067972484 /nfs/dbraw/zinc/97/24/84/1067972484.db2.gz QSMYIRQBKUXHTR-HSALFYBXSA-N 1 0 483.617 3.278 20 5 JGBDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001305017957 1068062417 /nfs/dbraw/zinc/06/24/17/1068062417.db2.gz MQJCULZTUNCJEZ-HXUWFJFHSA-N 1 0 483.617 3.366 20 5 JGBDRO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305018672 1068064142 /nfs/dbraw/zinc/06/41/42/1068064142.db2.gz UQUCPVLSYJWOPO-IEBWSBKVSA-N 1 0 455.563 3.038 20 5 JGBDRO C[C@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305018674 1068064622 /nfs/dbraw/zinc/06/46/22/1068064622.db2.gz UQUCPVLSYJWOPO-PKOBYXMFSA-N 1 0 455.563 3.038 20 5 JGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305023142 1068075434 /nfs/dbraw/zinc/07/54/34/1068075434.db2.gz QJOMJXAXEZIMBN-MSOLQXFVSA-N 1 0 469.590 3.031 20 5 JGBDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CSCCS2)CC1 ZINC001303570329 1068094261 /nfs/dbraw/zinc/09/42/61/1068094261.db2.gz QKKZCMQBWXZCNW-HXUWFJFHSA-N 1 0 492.671 3.249 20 5 JGBDRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)cc2)cc1[N+](=O)[O-] ZINC001303598784 1068124755 /nfs/dbraw/zinc/12/47/55/1068124755.db2.gz JEHNJTWFNOPEHC-RBUKOAKNSA-N 1 0 458.540 3.013 20 5 JGBDRO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C ZINC001305081723 1068154224 /nfs/dbraw/zinc/15/42/24/1068154224.db2.gz SLSDQGQCRVHWHS-DBXWQHBBSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCN(C)C)CC2)CC(C)(C)O1 ZINC001305142486 1068239675 /nfs/dbraw/zinc/23/96/75/1068239675.db2.gz NXQMFXPZJNQDCL-LJQANCHMSA-N 1 0 485.633 3.131 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001303696674 1068240248 /nfs/dbraw/zinc/24/02/48/1068240248.db2.gz RTPOPTVYVRFZLX-QRQLOZEOSA-N 1 0 485.589 3.107 20 5 JGBDRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC001303735065 1068291942 /nfs/dbraw/zinc/29/19/42/1068291942.db2.gz VFLYPIJMYWULLK-HXUWFJFHSA-N 1 0 478.601 3.033 20 5 JGBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303751590 1068312398 /nfs/dbraw/zinc/31/23/98/1068312398.db2.gz LNGNOILCOJFRTE-IBGZPJMESA-N 1 0 456.595 3.153 20 5 JGBDRO C[C@H](Cn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001303758956 1068323160 /nfs/dbraw/zinc/32/31/60/1068323160.db2.gz LOSMNNWYKOAUBN-IBGZPJMESA-N 1 0 456.591 3.491 20 5 JGBDRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC001305707586 1069098346 /nfs/dbraw/zinc/09/83/46/1069098346.db2.gz QTJSARYGYBCHQO-JOCHJYFZSA-N 1 0 493.616 3.336 20 5 JGBDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164620344 719006921 /nfs/dbraw/zinc/00/69/21/719006921.db2.gz YMUKMDPHGJKHSS-BEFAXECRSA-N 1 0 458.893 3.337 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164613731 719022142 /nfs/dbraw/zinc/02/21/42/719022142.db2.gz AYQZDYGRBZGOJV-UHFFFAOYSA-N 1 0 468.938 3.064 20 5 JGBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001164629033 719113795 /nfs/dbraw/zinc/11/37/95/719113795.db2.gz QGLYHSXFWDZJCG-CTNGQTDRSA-N 1 0 496.564 3.300 20 5 JGBDRO Cc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001164680359 719657742 /nfs/dbraw/zinc/65/77/42/719657742.db2.gz FZZUJZDPMAVXIB-IBGZPJMESA-N 1 0 451.571 3.392 20 5 JGBDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)CC2 ZINC001164714834 720118989 /nfs/dbraw/zinc/11/89/89/720118989.db2.gz CIAFLOKLPGZFRM-LJQANCHMSA-N 1 0 478.553 3.449 20 5 JGBDRO CCOC(=O)c1ccnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1[N+](=O)[O-] ZINC001164711222 720151328 /nfs/dbraw/zinc/15/13/28/720151328.db2.gz GDMHWOADEJWRGI-LJQANCHMSA-N 1 0 469.542 3.069 20 5 JGBDRO Cn1nnc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718881 720206165 /nfs/dbraw/zinc/20/61/65/720206165.db2.gz ODYDJRCAVVXNQL-OAQYLSRUSA-N 1 0 481.532 3.141 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164825944 720292367 /nfs/dbraw/zinc/29/23/67/720292367.db2.gz UUVJADOYJYIADM-CVEARBPZSA-N 1 0 457.909 3.100 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164821441 720307580 /nfs/dbraw/zinc/30/75/80/720307580.db2.gz KRBGDHIRJCLVLU-MOPGFXCFSA-N 1 0 458.950 3.103 20 5 JGBDRO Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164829964 720343320 /nfs/dbraw/zinc/34/33/20/720343320.db2.gz UPUMPDDGEOGUCF-FGZHOGPDSA-N 1 0 464.570 3.272 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001164831196 720355122 /nfs/dbraw/zinc/35/51/22/720355122.db2.gz XZZKURZTZHJEPV-MSOLQXFVSA-N 1 0 458.950 3.103 20 5 JGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738815 720825992 /nfs/dbraw/zinc/82/59/92/720825992.db2.gz GVIQYNQVNCFGSO-IJEWVQPXSA-N 1 0 452.346 3.268 20 5 JGBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164748388 720845886 /nfs/dbraw/zinc/84/58/86/720845886.db2.gz UPZLDVWYUOPMDW-UNWVZKJWSA-N 1 0 460.542 3.023 20 5 JGBDRO Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754810 720870676 /nfs/dbraw/zinc/87/06/76/720870676.db2.gz SOFKTCQWYMKGQB-WMZHIEFXSA-N 1 0 472.977 3.497 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747856 720870844 /nfs/dbraw/zinc/87/08/44/720870844.db2.gz BYJVQXRDVLWGDQ-PGRDOPGGSA-N 1 0 458.950 3.188 20 5 JGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755253 720877845 /nfs/dbraw/zinc/87/78/45/720877845.db2.gz VJDPKDIHGZWNPA-WMZHIEFXSA-N 1 0 472.977 3.497 20 5 JGBDRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164755325 720878654 /nfs/dbraw/zinc/87/86/54/720878654.db2.gz WQMCHDULFLTJQD-RDPSFJRHSA-N 1 0 453.543 3.149 20 5 JGBDRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164755096 720884796 /nfs/dbraw/zinc/88/47/96/720884796.db2.gz KRODAMDHAZQOAW-GBXCKJPGSA-N 1 0 453.543 3.149 20 5 JGBDRO COc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751612 720886935 /nfs/dbraw/zinc/88/69/35/720886935.db2.gz CQHWRDCSRAGQAN-RDPSFJRHSA-N 1 0 453.543 3.149 20 5 JGBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)CC[C@@H]2C1 ZINC001164863645 720891490 /nfs/dbraw/zinc/89/14/90/720891490.db2.gz SXJCRDXTXDIONB-OXQOHEQNSA-N 1 0 497.930 3.424 20 5 JGBDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)CC[C@@H]2C1 ZINC001164859418 720892632 /nfs/dbraw/zinc/89/26/32/720892632.db2.gz QGZBUXMJJMAIFW-FOIQADDNSA-N 1 0 497.930 3.424 20 5 JGBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776371 721347146 /nfs/dbraw/zinc/34/71/46/721347146.db2.gz ATAJVZJKDGCKGZ-QHCPKHFHSA-N 1 0 452.515 3.262 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898642 721426104 /nfs/dbraw/zinc/42/61/04/721426104.db2.gz WGKXKKQVIRLWOC-SQJMNOBHSA-N 1 0 466.586 3.126 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164783970 721452750 /nfs/dbraw/zinc/45/27/50/721452750.db2.gz DBDDAJWDXQGCBG-FQEVSTJZSA-N 1 0 455.559 3.272 20 5 JGBDRO CN(C)/C=C/c1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164962315 722059127 /nfs/dbraw/zinc/05/91/27/722059127.db2.gz QUXFIANSZHFFKC-BJMVGYQFSA-N 1 0 452.559 3.036 20 5 JGBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981653 722142363 /nfs/dbraw/zinc/14/23/63/722142363.db2.gz PXUYXKUPUPORGV-KBPBESRZSA-N 1 0 472.855 3.179 20 5 JGBDRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299008329 1064792567 /nfs/dbraw/zinc/79/25/67/1064792567.db2.gz YRFRYUUESGARJU-CEYNDMKZSA-N 1 0 483.617 3.184 20 5 JGBDRO CO[C@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299750283 1064950053 /nfs/dbraw/zinc/95/00/53/1064950053.db2.gz NFBTXVZIPHZYLY-ZJSXRUAMSA-N 1 0 472.590 3.096 20 5 JGBDRO CC(C)c1[nH]nc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001299753844 1064953609 /nfs/dbraw/zinc/95/36/09/1064953609.db2.gz HURQIRRXYFHPCW-UHFFFAOYSA-N 1 0 453.341 3.454 20 5 JGBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001301297792 1066103981 /nfs/dbraw/zinc/10/39/81/1066103981.db2.gz FJVHPEFECGAUJN-JOCHJYFZSA-N 1 0 460.604 3.153 20 5 JGBDRO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301358778 1066149516 /nfs/dbraw/zinc/14/95/16/1066149516.db2.gz DJJLRJJDBDVCDK-XQBPLPMBSA-N 1 0 472.590 3.073 20 5 JGBDRO COCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301439882 1066245453 /nfs/dbraw/zinc/24/54/53/1066245453.db2.gz HRSCSHOUNFLIMA-XMMPIXPASA-N 1 0 472.590 3.096 20 5 JGBDRO CC(C)(C)Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC(C)(C)N1CCOCC1 ZINC001302144230 1066592928 /nfs/dbraw/zinc/59/29/28/1066592928.db2.gz AZKJWDFVMSBJJI-UHFFFAOYSA-N 1 0 456.591 3.448 20 5 JGBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC001301783538 1066732542 /nfs/dbraw/zinc/73/25/42/1066732542.db2.gz QNRULCGOOMYWDT-JTHBVZDNSA-N 1 0 450.539 3.207 20 5 JGBDRO CC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001301836450 1066806276 /nfs/dbraw/zinc/80/62/76/1066806276.db2.gz LCCBYCBXFGTBCQ-HXUWFJFHSA-N 1 0 483.617 3.326 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001301886196 1066896784 /nfs/dbraw/zinc/89/67/84/1066896784.db2.gz SISGBUGOWBBDBR-DFBJGRDBSA-N 1 0 486.617 3.342 20 5 JGBDRO CC(C)(C)[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001302320463 1066917787 /nfs/dbraw/zinc/91/77/87/1066917787.db2.gz ICHLPUMXEHKUCV-NLINSNCNSA-N 1 0 474.631 3.465 20 5 JGBDRO CC(C)(O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001302354132 1066947558 /nfs/dbraw/zinc/94/75/58/1066947558.db2.gz PGLKAVUTGWUDBK-UHFFFAOYSA-N 1 0 472.590 3.096 20 5 JGBDRO CC(C)C(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001302393210 1066972608 /nfs/dbraw/zinc/97/26/08/1066972608.db2.gz FJQVHSXKAPRRAS-GOSISDBHSA-N 1 0 469.590 3.031 20 5 JGBDRO CC(C)C(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCCC2)CC1 ZINC001302393092 1066972805 /nfs/dbraw/zinc/97/28/05/1066972805.db2.gz DOFVMCWSSJUSDW-UHFFFAOYSA-N 1 0 469.590 3.034 20 5 JGBDRO CSC1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001302599204 1067235749 /nfs/dbraw/zinc/23/57/49/1067235749.db2.gz ICVMRSMPSTVPCE-UHFFFAOYSA-N 1 0 460.604 3.296 20 5 JGBDRO CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCC(O)CC1 ZINC001302695324 1067320838 /nfs/dbraw/zinc/32/08/38/1067320838.db2.gz GKGJUGMKKWEMRR-IBGZPJMESA-N 1 0 460.604 3.032 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001302811416 1067398919 /nfs/dbraw/zinc/39/89/19/1067398919.db2.gz HPBTXSYPHGTJSA-NRFANRHFSA-N 1 0 452.563 3.126 20 5 JGBDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCC(F)F)C1 ZINC001303201835 1067737890 /nfs/dbraw/zinc/73/78/90/1067737890.db2.gz PWVWFFLTNMBOPE-GOSISDBHSA-N 1 0 452.506 3.302 20 5 JGBDRO CC(C)COC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001303214274 1067751681 /nfs/dbraw/zinc/75/16/81/1067751681.db2.gz DTBBYJJAHGFOOD-OAQYLSRUSA-N 1 0 485.589 3.108 20 5 JGBDRO CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001303268112 1067795871 /nfs/dbraw/zinc/79/58/71/1067795871.db2.gz ASMNIKKMJLJNSY-OAQYLSRUSA-N 1 0 457.579 3.095 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001303270755 1067799564 /nfs/dbraw/zinc/79/95/64/1067799564.db2.gz LCCBUKMOPWVTPM-LJQANCHMSA-N 1 0 471.606 3.325 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001303271760 1067800496 /nfs/dbraw/zinc/80/04/96/1067800496.db2.gz UKGCZULTMBIRCL-UHFFFAOYSA-N 1 0 456.469 3.087 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001303272182 1067801704 /nfs/dbraw/zinc/80/17/04/1067801704.db2.gz ZIWGJXMUKWPZNH-LJQANCHMSA-N 1 0 452.563 3.311 20 5 JGBDRO CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC001303295868 1067819768 /nfs/dbraw/zinc/81/97/68/1067819768.db2.gz KLUZULKQJVMJPC-UHFFFAOYSA-N 1 0 455.567 3.338 20 5 JGBDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303303170 1067828764 /nfs/dbraw/zinc/82/87/64/1067828764.db2.gz DERDRGADYIKRSY-LJQANCHMSA-N 1 0 464.574 3.443 20 5 JGBDRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccncc3)nnc2N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001303303547 1067829108 /nfs/dbraw/zinc/82/91/08/1067829108.db2.gz XHGMRRWUNYJOLY-UHFFFAOYSA-N 1 0 493.612 3.086 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001303340673 1067869019 /nfs/dbraw/zinc/86/90/19/1067869019.db2.gz XTCXSCLIZPSOHX-FQEVSTJZSA-N 1 0 471.606 3.124 20 5 JGBDRO Cc1noc(C2(C)CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001304890120 1067934094 /nfs/dbraw/zinc/93/40/94/1067934094.db2.gz VQDUQXIBWKWMQJ-UHFFFAOYSA-N 1 0 468.562 3.443 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001304925458 1067969125 /nfs/dbraw/zinc/96/91/25/1067969125.db2.gz MDEWAQYWBLLDOX-HSALFYBXSA-N 1 0 483.617 3.278 20 5 JGBDRO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305018673 1068064115 /nfs/dbraw/zinc/06/41/15/1068064115.db2.gz UQUCPVLSYJWOPO-MJGOQNOKSA-N 1 0 455.563 3.038 20 5 JGBDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305058314 1068121039 /nfs/dbraw/zinc/12/10/39/1068121039.db2.gz HJEPYTNHLDCARL-IAGOWNOFSA-N 1 0 481.523 3.410 20 5 JGBDRO CC1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001305103339 1068170471 /nfs/dbraw/zinc/17/04/71/1068170471.db2.gz GEUVPHMFOBKAPR-UHFFFAOYSA-N 1 0 469.590 3.181 20 5 JGBDRO CC1CC[NH+](CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001305108544 1068178025 /nfs/dbraw/zinc/17/80/25/1068178025.db2.gz YXLLGJYXKIOZMR-UHFFFAOYSA-N 1 0 492.584 3.244 20 5 JGBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109129 1068179057 /nfs/dbraw/zinc/17/90/57/1068179057.db2.gz RMLXSHBMBXSGMO-DYXWJJEUSA-N 1 0 451.527 3.133 20 5 JGBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(C)(C)O1 ZINC001305142845 1068240869 /nfs/dbraw/zinc/24/08/69/1068240869.db2.gz PPGMJTBTWPFJKJ-GHTZIAJQSA-N 1 0 472.590 3.094 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(O)(C(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001303697223 1068240877 /nfs/dbraw/zinc/24/08/77/1068240877.db2.gz WWMCAUVMFGXVAX-CQSZACIVSA-N 1 0 468.480 3.230 20 5 JGBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001305606544 1068873662 /nfs/dbraw/zinc/87/36/62/1068873662.db2.gz JZLRHWOVYCSOCE-FQEVSTJZSA-N 1 0 498.632 3.312 20 5 JGBDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001305619670 1068903367 /nfs/dbraw/zinc/90/33/67/1068903367.db2.gz PCSPOCIFMSHLPW-FQEVSTJZSA-N 1 0 478.601 3.229 20 5 JGBDRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC001305707587 1069099042 /nfs/dbraw/zinc/09/90/42/1069099042.db2.gz QTJSARYGYBCHQO-QFIPXVFZSA-N 1 0 493.616 3.336 20 5 JGBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164629036 719114675 /nfs/dbraw/zinc/11/46/75/719114675.db2.gz QGLYHSXFWDZJCG-TZIWHRDSSA-N 1 0 496.564 3.300 20 5 JGBDRO CCOC(=O)c1ccnc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1[N+](=O)[O-] ZINC001164711221 720151506 /nfs/dbraw/zinc/15/15/06/720151506.db2.gz GDMHWOADEJWRGI-IBGZPJMESA-N 1 0 469.542 3.069 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164819592 720305481 /nfs/dbraw/zinc/30/54/81/720305481.db2.gz DQPNVPOUCZOEDW-CABCVRRESA-N 1 0 457.909 3.100 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001164825191 720307615 /nfs/dbraw/zinc/30/76/15/720307615.db2.gz STNKXZUJDWJWHV-MSOLQXFVSA-N 1 0 458.950 3.103 20 5 JGBDRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164829961 720342952 /nfs/dbraw/zinc/34/29/52/720342952.db2.gz UPUMPDDGEOGUCF-FCHUYYIVSA-N 1 0 464.570 3.272 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164821367 720348793 /nfs/dbraw/zinc/34/87/93/720348793.db2.gz ACNWRPDEDCHMAW-RTWAWAEBSA-N 1 0 468.533 3.102 20 5 JGBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838921 720514721 /nfs/dbraw/zinc/51/47/21/720514721.db2.gz RXCFJXYSWQDMQX-RRFJBIMHSA-N 1 0 451.984 3.334 20 5 JGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164742724 720818680 /nfs/dbraw/zinc/81/86/80/720818680.db2.gz QRPZXRKJTDWVPD-ARFHVFGLSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744455 720819667 /nfs/dbraw/zinc/81/96/67/720819667.db2.gz UHCBUBQQRPQSQK-IJEWVQPXSA-N 1 0 452.346 3.268 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740154 720822204 /nfs/dbraw/zinc/82/22/04/720822204.db2.gz JFKRANVHCFUSDC-QGPMSJSTSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738814 720826238 /nfs/dbraw/zinc/82/62/38/720826238.db2.gz GVIQYNQVNCFGSO-IIAWOOMASA-N 1 0 452.346 3.268 20 5 JGBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164748389 720845611 /nfs/dbraw/zinc/84/56/11/720845611.db2.gz UPZLDVWYUOPMDW-XKCSPQBFSA-N 1 0 460.542 3.023 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164753852 720860498 /nfs/dbraw/zinc/86/04/98/720860498.db2.gz YTRJNMOEBRWPFG-SZVBFZGTSA-N 1 0 468.949 3.162 20 5 JGBDRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754811 720870263 /nfs/dbraw/zinc/87/02/63/720870263.db2.gz SOFKTCQWYMKGQB-XXBNENTESA-N 1 0 472.977 3.497 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747860 720870965 /nfs/dbraw/zinc/87/09/65/720870965.db2.gz BYJVQXRDVLWGDQ-XMSQKQJNSA-N 1 0 458.950 3.188 20 5 JGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755249 720877771 /nfs/dbraw/zinc/87/77/71/720877771.db2.gz VJDPKDIHGZWNPA-AUSIDOKSSA-N 1 0 472.977 3.497 20 5 JGBDRO CCc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164872622 721160431 /nfs/dbraw/zinc/16/04/31/721160431.db2.gz HYCKKOVKXUPNDQ-DHIUTWEWSA-N 1 0 460.538 3.489 20 5 JGBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776366 721347461 /nfs/dbraw/zinc/34/74/61/721347461.db2.gz ATAJVZJKDGCKGZ-HSZRJFAPSA-N 1 0 452.515 3.262 20 5 JGBDRO COc1cc2ncnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2cc1[N+](=O)[O-] ZINC001164779108 721351159 /nfs/dbraw/zinc/35/11/59/721351159.db2.gz RAEWPCKNUAXGNG-DEOSSOPVSA-N 1 0 482.541 3.270 20 5 JGBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899788 721444318 /nfs/dbraw/zinc/44/43/18/721444318.db2.gz ZBRUOMIASCOBLM-DVECYGJZSA-N 1 0 487.004 3.471 20 5 JGBDRO CSc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164962992 722056813 /nfs/dbraw/zinc/05/68/13/722056813.db2.gz GOBNYPBPYHJIPR-UHFFFAOYSA-N 1 0 464.979 3.274 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164984650 722133532 /nfs/dbraw/zinc/13/35/32/722133532.db2.gz YFLWSYQIJWTSEK-ZJSXRUAMSA-N 1 0 460.538 3.483 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164984649 722133557 /nfs/dbraw/zinc/13/35/57/722133557.db2.gz YFLWSYQIJWTSEK-XUZZJYLKSA-N 1 0 460.538 3.483 20 5 JGBDRO CC[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001305879644 1069432649 /nfs/dbraw/zinc/43/26/49/1069432649.db2.gz ACQOFXAAKIRMHB-HSZRJFAPSA-N 1 0 472.590 3.094 20 5 JGBDRO Cn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001298827448 1064630475 /nfs/dbraw/zinc/63/04/75/1064630475.db2.gz HOBFSQVYYITCFU-UHFFFAOYSA-N 1 0 452.563 3.193 20 5 JGBDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001299005479 1064787527 /nfs/dbraw/zinc/78/75/27/1064787527.db2.gz JBGYSTJIBMRCFH-KBMIEXCESA-N 1 0 483.617 3.470 20 5 JGBDRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299075301 1064880078 /nfs/dbraw/zinc/88/00/78/1064880078.db2.gz UMWGLPBFCPXSAL-ZVDOUQERSA-N 1 0 483.617 3.184 20 5 JGBDRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCCC1 ZINC001301980190 1066286449 /nfs/dbraw/zinc/28/64/49/1066286449.db2.gz AEJPXUWLFRREOH-MSOLQXFVSA-N 1 0 492.646 3.376 20 5 JGBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)ccc1[N+](=O)[O-] ZINC001301597053 1066440807 /nfs/dbraw/zinc/44/08/07/1066440807.db2.gz AJNRFHAZVYOUDV-HSZRJFAPSA-N 1 0 459.506 3.385 20 5 JGBDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301818314 1066778065 /nfs/dbraw/zinc/77/80/65/1066778065.db2.gz KKRNUGXIBAFOEL-NQIIRXRSSA-N 1 0 469.590 3.079 20 5 JGBDRO COCCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC001301849582 1066823546 /nfs/dbraw/zinc/82/35/46/1066823546.db2.gz ARSKFYBBPPHZGQ-UHFFFAOYSA-N 1 0 496.616 3.303 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001301884833 1066893558 /nfs/dbraw/zinc/89/35/58/1066893558.db2.gz CYJOSIWCHJSNSO-YLJYHZDGSA-N 1 0 460.579 3.071 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccsc2)C[C@H]1C ZINC001301885964 1066895957 /nfs/dbraw/zinc/89/59/57/1066895957.db2.gz OTXGLPXGXIANEE-QGZVFWFLSA-N 1 0 456.572 3.314 20 5 JGBDRO CC(C)(C)[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302320461 1066917801 /nfs/dbraw/zinc/91/78/01/1066917801.db2.gz ICHLPUMXEHKUCV-BPJXYHRLSA-N 1 0 474.631 3.465 20 5 JGBDRO CC(C)C(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001302393212 1066972738 /nfs/dbraw/zinc/97/27/38/1066972738.db2.gz FJQVHSXKAPRRAS-SFHVURJKSA-N 1 0 469.590 3.031 20 5 JGBDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCC2)C1 ZINC001302407723 1066989509 /nfs/dbraw/zinc/98/95/09/1066989509.db2.gz BPFMJLIXBQUSSU-HXUWFJFHSA-N 1 0 469.590 3.080 20 5 JGBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCC(C)C)CC2)C[C@@H]1OC ZINC001302411732 1066996718 /nfs/dbraw/zinc/99/67/18/1066996718.db2.gz ZCCFVNXIQIPWOU-ZRZAMGCNSA-N 1 0 486.617 3.461 20 5 JGBDRO Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001304080018 1067125224 /nfs/dbraw/zinc/12/52/24/1067125224.db2.gz WLUBTMXOGMLPIO-INIZCTEOSA-N 1 0 471.587 3.223 20 5 JGBDRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+]1CCOCC1 ZINC001302516444 1067135201 /nfs/dbraw/zinc/13/52/01/1067135201.db2.gz SRRVXDACJGUIBF-QHCPKHFHSA-N 1 0 494.600 3.415 20 5 JGBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001302682202 1067308045 /nfs/dbraw/zinc/30/80/45/1067308045.db2.gz FJFFKYHKPYGYLT-UHFFFAOYSA-N 1 0 494.600 3.020 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001302809058 1067397429 /nfs/dbraw/zinc/39/74/29/1067397429.db2.gz TUVDXKAXCDVBIR-DHLKQENFSA-N 1 0 485.633 3.131 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001302809269 1067397859 /nfs/dbraw/zinc/39/78/59/1067397859.db2.gz UVIRRMUWKIRQKK-VXKWHMMOSA-N 1 0 482.589 3.141 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001302810847 1067398970 /nfs/dbraw/zinc/39/89/70/1067398970.db2.gz CMRBJPMRXKSHOQ-LJQANCHMSA-N 1 0 469.594 3.206 20 5 JGBDRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001302820388 1067407867 /nfs/dbraw/zinc/40/78/67/1067407867.db2.gz PKXUEXOUFNYSTO-AZUAARDMSA-N 1 0 474.610 3.095 20 5 JGBDRO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001302949589 1067523416 /nfs/dbraw/zinc/52/34/16/1067523416.db2.gz IFLUSFDJJVGNSY-UHFFFAOYSA-N 1 0 455.607 3.443 20 5 JGBDRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001303185128 1067719700 /nfs/dbraw/zinc/71/97/00/1067719700.db2.gz UHSWDLSWZPJGAG-UHFFFAOYSA-N 1 0 483.617 3.422 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001303277969 1067806120 /nfs/dbraw/zinc/80/61/20/1067806120.db2.gz XNEIMPMPXVFZTD-UHFFFAOYSA-N 1 0 470.553 3.294 20 5 JGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cnccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001303301175 1067825349 /nfs/dbraw/zinc/82/53/49/1067825349.db2.gz BPNCOYZUNAQGKA-UHFFFAOYSA-N 1 0 494.600 3.294 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304910061 1067953056 /nfs/dbraw/zinc/95/30/56/1067953056.db2.gz HIPZERNHUPDGET-GGPKGHCWSA-N 1 0 483.617 3.312 20 5 JGBDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303435952 1067959212 /nfs/dbraw/zinc/95/92/12/1067959212.db2.gz JKDKEEHEHFDPON-IBGZPJMESA-N 1 0 471.587 3.179 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001304927170 1067972308 /nfs/dbraw/zinc/97/23/08/1067972308.db2.gz QSMYIRQBKUXHTR-AQNXPRMDSA-N 1 0 483.617 3.278 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001304927172 1067972433 /nfs/dbraw/zinc/97/24/33/1067972433.db2.gz QSMYIRQBKUXHTR-VAMGGRTRSA-N 1 0 483.617 3.278 20 5 JGBDRO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001305023639 1068077231 /nfs/dbraw/zinc/07/72/31/1068077231.db2.gz CLHWWKSQQBWQEU-MSOLQXFVSA-N 1 0 450.547 3.400 20 5 JGBDRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001305058304 1068121081 /nfs/dbraw/zinc/12/10/81/1068121081.db2.gz HGYDRPRCXNTLNR-LJQANCHMSA-N 1 0 483.617 3.421 20 5 JGBDRO C[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1C ZINC001305081726 1068154251 /nfs/dbraw/zinc/15/42/51/1068154251.db2.gz SLSDQGQCRVHWHS-OPYAIIAOSA-N 1 0 469.590 3.031 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1CC[NH+]1CCC(C)CC1 ZINC001305105778 1068173700 /nfs/dbraw/zinc/17/37/00/1068173700.db2.gz DIEQFPHTXJIILU-UHFFFAOYSA-N 1 0 469.590 3.225 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001303696394 1068239532 /nfs/dbraw/zinc/23/95/32/1068239532.db2.gz OLEJUWMJWNFXNK-INIZCTEOSA-N 1 0 481.523 3.410 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303697559 1068240654 /nfs/dbraw/zinc/24/06/54/1068240654.db2.gz YKKCCAGPVQNAEK-ROUUACIJSA-N 1 0 487.605 3.497 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001305145588 1068247124 /nfs/dbraw/zinc/24/71/24/1068247124.db2.gz ZDVZFGJPYJGDTK-MDZRGWNJSA-N 1 0 473.578 3.153 20 5 JGBDRO CC[C@@H](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)OC ZINC001305347900 1068589067 /nfs/dbraw/zinc/58/90/67/1068589067.db2.gz LEHWCNZPOCNIIT-AUSIDOKSSA-N 1 0 486.617 3.463 20 5 JGBDRO CC[C@@H](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)OC ZINC001305347906 1068589239 /nfs/dbraw/zinc/58/92/39/1068589239.db2.gz LEHWCNZPOCNIIT-XXBNENTESA-N 1 0 486.617 3.463 20 5 JGBDRO CC[C@@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305452803 1068689477 /nfs/dbraw/zinc/68/94/77/1068689477.db2.gz KXNRDZKARCUUCF-QRVBRYPASA-N 1 0 474.610 3.237 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305523967 1068776951 /nfs/dbraw/zinc/77/69/51/1068776951.db2.gz QAODEKGWDMBEPU-FQEVSTJZSA-N 1 0 484.649 3.052 20 5 JGBDRO CC[C@@H](C)c1nnc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001305523968 1068777176 /nfs/dbraw/zinc/77/71/76/1068777176.db2.gz QAODEKGWDMBEPU-HXUWFJFHSA-N 1 0 484.649 3.052 20 5 JGBDRO Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC001164680647 719657058 /nfs/dbraw/zinc/65/70/58/719657058.db2.gz GUMOUHDLHLSHRD-IBGZPJMESA-N 1 0 451.571 3.392 20 5 JGBDRO Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC001164680648 719657667 /nfs/dbraw/zinc/65/76/67/719657667.db2.gz GUMOUHDLHLSHRD-LJQANCHMSA-N 1 0 451.571 3.392 20 5 JGBDRO Cc1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164685369 719661461 /nfs/dbraw/zinc/66/14/61/719661461.db2.gz ZTYLTXQFELWHCG-IBGZPJMESA-N 1 0 451.571 3.392 20 5 JGBDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)CC2 ZINC001164690618 719757604 /nfs/dbraw/zinc/75/76/04/719757604.db2.gz GFDSLAIHIOJXBN-UHFFFAOYSA-N 1 0 494.930 3.431 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164821444 720307778 /nfs/dbraw/zinc/30/77/78/720307778.db2.gz KRBGDHIRJCLVLU-RBUKOAKNSA-N 1 0 458.950 3.103 20 5 JGBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838925 720514964 /nfs/dbraw/zinc/51/49/64/720514964.db2.gz RXCFJXYSWQDMQX-SOUVJXGZSA-N 1 0 451.984 3.334 20 5 JGBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164748186 720811701 /nfs/dbraw/zinc/81/17/01/720811701.db2.gz PWLOPANAJLPSAA-DJIMGWMZSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164750354 720852025 /nfs/dbraw/zinc/85/20/25/720852025.db2.gz PNYIUODRYLRRHK-WOIUINJBSA-N 1 0 460.542 3.023 20 5 JGBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)CC[C@H]2C1 ZINC001164863638 720891474 /nfs/dbraw/zinc/89/14/74/720891474.db2.gz SXJCRDXTXDIONB-JXFKEZNVSA-N 1 0 497.930 3.424 20 5 JGBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757188 720892438 /nfs/dbraw/zinc/89/24/38/720892438.db2.gz UFCAAZZBBBGGPK-CVDCTZTESA-N 1 0 473.961 3.032 20 5 JGBDRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164747278 720929857 /nfs/dbraw/zinc/92/98/57/720929857.db2.gz CPKFXKBFDAISKZ-HFZDXXHNSA-N 1 0 495.580 3.317 20 5 JGBDRO CCc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164872627 721161528 /nfs/dbraw/zinc/16/15/28/721161528.db2.gz HYCKKOVKXUPNDQ-PKTZIBPZSA-N 1 0 460.538 3.489 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1F ZINC001164880683 721173827 /nfs/dbraw/zinc/17/38/27/721173827.db2.gz XAAMRHCLFUSYTQ-OALUTQOASA-N 1 0 450.474 3.066 20 5 JGBDRO COc1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)c2cc1[N+](=O)[O-] ZINC001164779109 721351716 /nfs/dbraw/zinc/35/17/16/721351716.db2.gz RAEWPCKNUAXGNG-XMMPIXPASA-N 1 0 482.541 3.270 20 5 JGBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899786 721444290 /nfs/dbraw/zinc/44/42/90/721444290.db2.gz ZBRUOMIASCOBLM-CYFREDJKSA-N 1 0 487.004 3.471 20 5 JGBDRO COC(=O)c1nc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164793759 721491798 /nfs/dbraw/zinc/49/17/98/721491798.db2.gz VIPPSDKDALWXEZ-UHFFFAOYSA-N 1 0 460.922 3.101 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165023937 721801588 /nfs/dbraw/zinc/80/15/88/721801588.db2.gz KGUFTIZGBNFWFA-USXIJHARSA-N 1 0 474.949 3.347 20 5 JGBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+](C)C1CCCC1 ZINC001298365050 1064221170 /nfs/dbraw/zinc/22/11/70/1064221170.db2.gz NBPJFLOFKPDSBC-UHFFFAOYSA-N 1 0 478.557 3.344 20 5 JGBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298615225 1064387203 /nfs/dbraw/zinc/38/72/03/1064387203.db2.gz NDQXZKMUEYVLMS-FQEVSTJZSA-N 1 0 456.591 3.491 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298621749 1064393444 /nfs/dbraw/zinc/39/34/44/1064393444.db2.gz SFNLJWOMDPFIAH-ICSRJNTNSA-N 1 0 483.598 3.181 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001298621800 1064394334 /nfs/dbraw/zinc/39/43/34/1064394334.db2.gz TVTRVLWJPWJTJF-UYAOXDASSA-N 1 0 454.531 3.265 20 5 JGBDRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001299005475 1064787426 /nfs/dbraw/zinc/78/74/26/1064787426.db2.gz JBGYSTJIBMRCFH-CLOONOSVSA-N 1 0 483.617 3.470 20 5 JGBDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1)C(C)C ZINC001299846419 1065046845 /nfs/dbraw/zinc/04/68/45/1065046845.db2.gz PXCNFCKMPYCPFM-UHFFFAOYSA-N 1 0 457.575 3.092 20 5 JGBDRO COC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301362461 1066156893 /nfs/dbraw/zinc/15/68/93/1066156893.db2.gz VQNBIFIQLZWKKV-FGZHOGPDSA-N 1 0 472.590 3.215 20 5 JGBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301362462 1066156904 /nfs/dbraw/zinc/15/69/04/1066156904.db2.gz VQNBIFIQLZWKKV-VXKWHMMOSA-N 1 0 472.590 3.215 20 5 JGBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001301363243 1066157821 /nfs/dbraw/zinc/15/78/21/1066157821.db2.gz YILDVWJCMJURSW-VIZSFHNOSA-N 1 0 486.617 3.463 20 5 JGBDRO C[C@H]([C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCCC1)S(C)(=O)=O ZINC001301980193 1066286339 /nfs/dbraw/zinc/28/63/39/1066286339.db2.gz AEJPXUWLFRREOH-ZWKOTPCHSA-N 1 0 492.646 3.376 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001301720350 1066622969 /nfs/dbraw/zinc/62/29/69/1066622969.db2.gz CCMGTWYFBGKQJD-WYEJZRMESA-N 1 0 483.617 3.421 20 5 JGBDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001302191045 1066673471 /nfs/dbraw/zinc/67/34/71/1066673471.db2.gz OJJHOBMQFNBXDJ-UHFFFAOYSA-N 1 0 483.617 3.457 20 5 JGBDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001302195712 1066685019 /nfs/dbraw/zinc/68/50/19/1066685019.db2.gz WDKAUYCAZIIMQB-UHFFFAOYSA-N 1 0 469.590 3.210 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001301884832 1066893515 /nfs/dbraw/zinc/89/35/15/1066893515.db2.gz CYJOSIWCHJSNSO-XLIONFOSSA-N 1 0 460.579 3.071 20 5 JGBDRO CC(C)c1nnc(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001302627247 1067257310 /nfs/dbraw/zinc/25/73/10/1067257310.db2.gz BKXXSJQMSRNQER-UHFFFAOYSA-N 1 0 482.589 3.336 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001302809271 1067397830 /nfs/dbraw/zinc/39/78/30/1067397830.db2.gz UVIRRMUWKIRQKK-YADHBBJMSA-N 1 0 482.589 3.141 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001302809363 1067398127 /nfs/dbraw/zinc/39/81/27/1067398127.db2.gz VXAGVHZEZYCVRV-FGZHOGPDSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(C)Cc1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001302896299 1067477461 /nfs/dbraw/zinc/47/74/61/1067477461.db2.gz HAFNNTAWLKBPGO-SFHVURJKSA-N 1 0 456.551 3.319 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CC[NH+]2CCCCC2)c1 ZINC001303135018 1067674881 /nfs/dbraw/zinc/67/48/81/1067674881.db2.gz JBNNAXVGWUOAHK-UHFFFAOYSA-N 1 0 467.496 3.024 20 5 JGBDRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC[NH+]2CCCCC2)n1 ZINC001304741886 1067818687 /nfs/dbraw/zinc/81/86/87/1067818687.db2.gz MWLBMFWPBOUCFN-UHFFFAOYSA-N 1 0 452.563 3.170 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001303333830 1067862463 /nfs/dbraw/zinc/86/24/63/1067862463.db2.gz BCMCZRVMXBRHSJ-HXUWFJFHSA-N 1 0 457.579 3.081 20 5 JGBDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981735 1068021917 /nfs/dbraw/zinc/02/19/17/1068021917.db2.gz ADNJQUJPHONLBB-UUOWRZLLSA-N 1 0 471.606 3.325 20 5 JGBDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981734 1068022132 /nfs/dbraw/zinc/02/21/32/1068022132.db2.gz ADNJQUJPHONLBB-MHECFPHRSA-N 1 0 471.606 3.325 20 5 JGBDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303528187 1068057428 /nfs/dbraw/zinc/05/74/28/1068057428.db2.gz JUOWXKSBUIIYAG-UHFFFAOYSA-N 1 0 450.543 3.122 20 5 JGBDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C ZINC001305020356 1068067875 /nfs/dbraw/zinc/06/78/75/1068067875.db2.gz OJGHLZZXBHVRHC-LJQANCHMSA-N 1 0 470.622 3.470 20 5 JGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001305023466 1068076820 /nfs/dbraw/zinc/07/68/20/1068076820.db2.gz SGGBRWFWDKYMIB-QZTJIDSGSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305058313 1068121118 /nfs/dbraw/zinc/12/11/18/1068121118.db2.gz HJEPYTNHLDCARL-DLBZAZTESA-N 1 0 481.523 3.410 20 5 JGBDRO C[C@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCC(O)CC1)c1nccs1 ZINC001303675327 1068213987 /nfs/dbraw/zinc/21/39/87/1068213987.db2.gz WTDRPTDYARNZEC-QGZVFWFLSA-N 1 0 485.614 3.397 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1)[NH+](C)C ZINC001303695762 1068239021 /nfs/dbraw/zinc/23/90/21/1068239021.db2.gz KCDPWLKWZHTJEW-CYBMUJFWSA-N 1 0 468.543 3.150 20 5 JGBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305142849 1068240778 /nfs/dbraw/zinc/24/07/78/1068240778.db2.gz PPGMJTBTWPFJKJ-RXVVDRJESA-N 1 0 472.590 3.094 20 5 JGBDRO CC[C@H](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)OC ZINC001305347904 1068589105 /nfs/dbraw/zinc/58/91/05/1068589105.db2.gz LEHWCNZPOCNIIT-WMZHIEFXSA-N 1 0 486.617 3.463 20 5 JGBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305526607 1068779719 /nfs/dbraw/zinc/77/97/19/1068779719.db2.gz LFDPMVUKJQWRSP-QUCCMNQESA-N 1 0 458.611 3.398 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305526606 1068779742 /nfs/dbraw/zinc/77/97/42/1068779742.db2.gz LFDPMVUKJQWRSP-ICSRJNTNSA-N 1 0 458.611 3.398 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001305526672 1068780060 /nfs/dbraw/zinc/78/00/60/1068780060.db2.gz KUEFJJOGVYCECE-NRFANRHFSA-N 1 0 484.649 3.054 20 5 JGBDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001305619671 1068904136 /nfs/dbraw/zinc/90/41/36/1068904136.db2.gz PCSPOCIFMSHLPW-HXUWFJFHSA-N 1 0 478.601 3.229 20 5 JGBDRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001305622642 1068911284 /nfs/dbraw/zinc/91/12/84/1068911284.db2.gz HDDXHYPYXSQEGQ-WIYYLYMNSA-N 1 0 457.579 3.095 20 5 JGBDRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001305762553 1069231601 /nfs/dbraw/zinc/23/16/01/1069231601.db2.gz UAOBDRLTPUNCAB-OAQYLSRUSA-N 1 0 469.590 3.152 20 5 JGBDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164619250 719008023 /nfs/dbraw/zinc/00/80/23/719008023.db2.gz UVYGLMMMJNSMCV-BEFAXECRSA-N 1 0 458.893 3.337 20 5 JGBDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164620684 719008044 /nfs/dbraw/zinc/00/80/44/719008044.db2.gz ZEZWBFXJNQJDDP-IFXJQAMLSA-N 1 0 458.893 3.337 20 5 JGBDRO COc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001164681883 719661430 /nfs/dbraw/zinc/66/14/30/719661430.db2.gz RWLUDQUQSPNMHP-GOSISDBHSA-N 1 0 467.570 3.092 20 5 JGBDRO COc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC001164680107 719665922 /nfs/dbraw/zinc/66/59/22/719665922.db2.gz CKWYTPXRMJACJT-GOSISDBHSA-N 1 0 467.570 3.092 20 5 JGBDRO CCOc1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001164680104 719674022 /nfs/dbraw/zinc/67/40/22/719674022.db2.gz CKAACPVQMQMCPL-LJQANCHMSA-N 1 0 481.597 3.482 20 5 JGBDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)CC2 ZINC001164690504 719758808 /nfs/dbraw/zinc/75/88/08/719758808.db2.gz CXOZXXFEOFYDCJ-UHFFFAOYSA-N 1 0 494.930 3.431 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164814873 720078844 /nfs/dbraw/zinc/07/88/44/720078844.db2.gz XPRAOCROYKDEHL-BTYIYWSLSA-N 1 0 452.939 3.005 20 5 JGBDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)CC2 ZINC001164714832 720119449 /nfs/dbraw/zinc/11/94/49/720119449.db2.gz CIAFLOKLPGZFRM-IBGZPJMESA-N 1 0 478.553 3.449 20 5 JGBDRO Cn1nnc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718434 720205301 /nfs/dbraw/zinc/20/53/01/720205301.db2.gz LOCOONFXFFKMIW-NRFANRHFSA-N 1 0 463.542 3.002 20 5 JGBDRO Cn1nnc2c1CCN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164716879 720206298 /nfs/dbraw/zinc/20/62/98/720206298.db2.gz GEPSHTZEAZWTOO-HXUWFJFHSA-N 1 0 471.949 3.141 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164821354 720348549 /nfs/dbraw/zinc/34/85/49/720348549.db2.gz ACNWRPDEDCHMAW-LEWJYISDSA-N 1 0 468.533 3.102 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001164831199 720355328 /nfs/dbraw/zinc/35/53/28/720355328.db2.gz XZZKURZTZHJEPV-QZTJIDSGSA-N 1 0 458.950 3.103 20 5 JGBDRO Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164746562 720850861 /nfs/dbraw/zinc/85/08/61/720850861.db2.gz OLPGKQHVCUYVGB-ACIOBRDBSA-N 1 0 474.569 3.331 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164747852 720870948 /nfs/dbraw/zinc/87/09/48/720870948.db2.gz BYJVQXRDVLWGDQ-GCJKJVERSA-N 1 0 458.950 3.188 20 5 JGBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751566 720881591 /nfs/dbraw/zinc/88/15/91/720881591.db2.gz LALSOBRFMZCCTB-CVDCTZTESA-N 1 0 468.514 3.048 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)ccc1F ZINC001164880684 721173974 /nfs/dbraw/zinc/17/39/74/721173974.db2.gz XAAMRHCLFUSYTQ-RBUKOAKNSA-N 1 0 450.474 3.066 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164785946 721455253 /nfs/dbraw/zinc/45/52/53/721455253.db2.gz JKLFGVBIAWHNNF-OAHLLOKOSA-N 1 0 474.389 3.426 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164790637 721467038 /nfs/dbraw/zinc/46/70/38/721467038.db2.gz SYBMBJOBYXCLJI-MECCDNJOSA-N 1 0 473.618 3.256 20 5 JGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907065 721714173 /nfs/dbraw/zinc/71/41/73/721714173.db2.gz PZNAEMZPEFTZFJ-OAQYLSRUSA-N 1 0 461.469 3.299 20 5 JGBDRO CCOC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164912810 721732839 /nfs/dbraw/zinc/73/28/39/721732839.db2.gz QLIFLBGVDHSVNG-NRFANRHFSA-N 1 0 461.469 3.299 20 5 JGBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165013321 721748108 /nfs/dbraw/zinc/74/81/08/721748108.db2.gz XWBNYDBVXBHKJF-UHFFFAOYSA-N 1 0 458.950 3.228 20 5 JGBDRO CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001305822857 1069359481 /nfs/dbraw/zinc/35/94/81/1069359481.db2.gz CPSIRWNCRKPNJQ-IBGZPJMESA-N 1 0 450.547 3.197 20 5 JGBDRO CN(CC(F)(F)F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001298239626 1064143977 /nfs/dbraw/zinc/14/39/77/1064143977.db2.gz GNNMSBNSENKXMQ-QGZVFWFLSA-N 1 0 456.469 3.089 20 5 JGBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001298544403 1064304520 /nfs/dbraw/zinc/30/45/20/1064304520.db2.gz DKRHFCJBYMQULD-UHFFFAOYSA-N 1 0 457.874 3.354 20 5 JGBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001298614994 1064386601 /nfs/dbraw/zinc/38/66/01/1064386601.db2.gz QCGWOMFWPWHERF-UHFFFAOYSA-N 1 0 483.617 3.366 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCOC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298621133 1064392535 /nfs/dbraw/zinc/39/25/35/1064392535.db2.gz KQYIPTFKJZWHCZ-XXBNENTESA-N 1 0 474.631 3.197 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCOC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298621130 1064392742 /nfs/dbraw/zinc/39/27/42/1064392742.db2.gz KQYIPTFKJZWHCZ-AUSIDOKSSA-N 1 0 474.631 3.197 20 5 JGBDRO C[N@H+](CCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001298718900 1064529249 /nfs/dbraw/zinc/52/92/49/1064529249.db2.gz BJCAIZYKSQQBDC-UHFFFAOYSA-N 1 0 496.591 3.477 20 5 JGBDRO CN(CCn1cccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001298719485 1064529764 /nfs/dbraw/zinc/52/97/64/1064529764.db2.gz BSYYDJYDAAQVRR-HXUWFJFHSA-N 1 0 452.563 3.307 20 5 JGBDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001299008331 1064792392 /nfs/dbraw/zinc/79/23/92/1064792392.db2.gz YRFRYUUESGARJU-MPCDZSKCSA-N 1 0 483.617 3.184 20 5 JGBDRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001299071414 1064871248 /nfs/dbraw/zinc/87/12/48/1064871248.db2.gz DYDBXDQIRDDZBU-FPOVZHCZSA-N 1 0 483.617 3.470 20 5 JGBDRO CNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001299111775 1064922053 /nfs/dbraw/zinc/92/20/53/1064922053.db2.gz SNXZZKKZVLYOAU-UHFFFAOYSA-N 1 0 469.590 3.080 20 5 JGBDRO COC[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001300957782 1065763649 /nfs/dbraw/zinc/76/36/49/1065763649.db2.gz IZBGBXLSAGTNRX-GREBRCKQSA-N 1 0 496.616 3.389 20 5 JGBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001301296724 1066101805 /nfs/dbraw/zinc/10/18/05/1066101805.db2.gz AWDIWWJSJIQDFV-KDURUIRLSA-N 1 0 472.590 3.215 20 5 JGBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001301297793 1066104069 /nfs/dbraw/zinc/10/40/69/1066104069.db2.gz FJVHPEFECGAUJN-QFIPXVFZSA-N 1 0 460.604 3.153 20 5 JGBDRO CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001301543832 1066372343 /nfs/dbraw/zinc/37/23/43/1066372343.db2.gz BFARUAPCUOZTOA-FCHUYYIVSA-N 1 0 450.539 3.494 20 5 JGBDRO COCCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001302209658 1066708094 /nfs/dbraw/zinc/70/80/94/1066708094.db2.gz ZJZKKMWNEJDLGJ-UHFFFAOYSA-N 1 0 460.579 3.217 20 5 JGBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC001301783535 1066732104 /nfs/dbraw/zinc/73/21/04/1066732104.db2.gz QNRULCGOOMYWDT-FYYLOGMGSA-N 1 0 450.539 3.207 20 5 JGBDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301818318 1066777991 /nfs/dbraw/zinc/77/79/91/1066777991.db2.gz KKRNUGXIBAFOEL-WIYYLYMNSA-N 1 0 469.590 3.079 20 5 JGBDRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCC2)C1 ZINC001302252382 1066789772 /nfs/dbraw/zinc/78/97/72/1066789772.db2.gz CRHWSQWHSMJPDR-SFHVURJKSA-N 1 0 485.589 3.300 20 5 JGBDRO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001301885271 1066894292 /nfs/dbraw/zinc/89/42/92/1066894292.db2.gz HUMMLRORKJIASC-HXUWFJFHSA-N 1 0 485.633 3.132 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(F)(F)C2)C[C@@H]1C ZINC001301886337 1066897109 /nfs/dbraw/zinc/89/71/09/1066897109.db2.gz VPGGKGJTRMETNH-HNNXBMFYSA-N 1 0 450.490 3.056 20 5 JGBDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCCC2)C1 ZINC001302407641 1066989404 /nfs/dbraw/zinc/98/94/04/1066989404.db2.gz AEKYGYWWOVVUGR-HXUWFJFHSA-N 1 0 469.590 3.080 20 5 JGBDRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001302802934 1067391643 /nfs/dbraw/zinc/39/16/43/1067391643.db2.gz HACABFZVNPZPJK-OAQYLSRUSA-N 1 0 492.584 3.373 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](C)C ZINC001302811417 1067398936 /nfs/dbraw/zinc/39/89/36/1067398936.db2.gz HPBTXSYPHGTJSA-OAQYLSRUSA-N 1 0 452.563 3.126 20 5 JGBDRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001302820391 1067407857 /nfs/dbraw/zinc/40/78/57/1067407857.db2.gz PKXUEXOUFNYSTO-UYAOXDASSA-N 1 0 474.610 3.095 20 5 JGBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001303173051 1067707119 /nfs/dbraw/zinc/70/71/19/1067707119.db2.gz OXALOHPNRFPBRT-FQEVSTJZSA-N 1 0 483.617 3.313 20 5 JGBDRO CC(C)[N@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001303261780 1067788875 /nfs/dbraw/zinc/78/88/75/1067788875.db2.gz WKMGNPSQZZAVIH-IBGZPJMESA-N 1 0 466.590 3.386 20 5 JGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001303284343 1067810980 /nfs/dbraw/zinc/81/09/80/1067810980.db2.gz KSDMOWOTCQQBHS-QHCPKHFHSA-N 1 0 484.630 3.439 20 5 JGBDRO CC(C)[NH+](CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC001303299425 1067823921 /nfs/dbraw/zinc/82/39/21/1067823921.db2.gz UDOYXVBPSILGQY-OAQYLSRUSA-N 1 0 486.621 3.268 20 5 JGBDRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001303301199 1067825246 /nfs/dbraw/zinc/82/52/46/1067825246.db2.gz CBAUNCXHZDYGKD-NRFANRHFSA-N 1 0 472.590 3.300 20 5 JGBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N2CCCCC2)CC1 ZINC001303308410 1067836354 /nfs/dbraw/zinc/83/63/54/1067836354.db2.gz VUVKWTXYGVHNID-UHFFFAOYSA-N 1 0 469.590 3.176 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303334475 1067863872 /nfs/dbraw/zinc/86/38/72/1067863872.db2.gz TVPJAHHFLSHWOU-LJQANCHMSA-N 1 0 457.579 3.081 20 5 JGBDRO Cc1noc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)C)CC2)n1 ZINC001304894678 1067939514 /nfs/dbraw/zinc/93/95/14/1067939514.db2.gz RJXUWHGXMJRQFO-UHFFFAOYSA-N 1 0 454.535 3.098 20 5 JGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304910059 1067953054 /nfs/dbraw/zinc/95/30/54/1067953054.db2.gz HIPZERNHUPDGET-BJLQDIEVSA-N 1 0 483.617 3.312 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001304927173 1067972439 /nfs/dbraw/zinc/97/24/39/1067972439.db2.gz QSMYIRQBKUXHTR-ZCNNSNEGSA-N 1 0 483.617 3.278 20 5 JGBDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981733 1068022020 /nfs/dbraw/zinc/02/20/20/1068022020.db2.gz ADNJQUJPHONLBB-KOSHJBKYSA-N 1 0 471.606 3.325 20 5 JGBDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001305023152 1068075409 /nfs/dbraw/zinc/07/54/09/1068075409.db2.gz QJOMJXAXEZIMBN-ROUUACIJSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001305045469 1068103340 /nfs/dbraw/zinc/10/33/40/1068103340.db2.gz FRDZVWZJSYFQPF-UYAOXDASSA-N 1 0 469.590 3.067 20 5 JGBDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001305058289 1068120315 /nfs/dbraw/zinc/12/03/15/1068120315.db2.gz GVOLAGOFAQBXBH-GOSISDBHSA-N 1 0 469.590 3.032 20 5 JGBDRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001305058303 1068121131 /nfs/dbraw/zinc/12/11/31/1068121131.db2.gz HGYDRPRCXNTLNR-IBGZPJMESA-N 1 0 483.617 3.421 20 5 JGBDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001305114583 1068192940 /nfs/dbraw/zinc/19/29/40/1068192940.db2.gz SRVKXQSATJZKRF-HDICACEKSA-N 1 0 480.573 3.168 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001303694214 1068237237 /nfs/dbraw/zinc/23/72/37/1068237237.db2.gz DNGUDSLVQPKBEK-QGZVFWFLSA-N 1 0 455.588 3.187 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303697558 1068240814 /nfs/dbraw/zinc/24/08/14/1068240814.db2.gz YKKCCAGPVQNAEK-QZTJIDSGSA-N 1 0 487.605 3.497 20 5 JGBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)[NH+](C)C)CCN1CC(F)(F)F ZINC001305144817 1068244879 /nfs/dbraw/zinc/24/48/79/1068244879.db2.gz UIZVDWWDBFYOLH-DNVCBOLYSA-N 1 0 481.523 3.266 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001305145586 1068246576 /nfs/dbraw/zinc/24/65/76/1068246576.db2.gz ZDVZFGJPYJGDTK-GPMSIDNRSA-N 1 0 473.578 3.153 20 5 JGBDRO C[C@H]1C[N@H+](CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC001305224166 1068365968 /nfs/dbraw/zinc/36/59/68/1068365968.db2.gz WVSABYQCPISWSY-GHTZIAJQSA-N 1 0 458.563 3.175 20 5 JGBDRO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC001305224168 1068366417 /nfs/dbraw/zinc/36/64/17/1068366417.db2.gz WVSABYQCPISWSY-WIYYLYMNSA-N 1 0 458.563 3.175 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001305452800 1068689044 /nfs/dbraw/zinc/68/90/44/1068689044.db2.gz KXNRDZKARCUUCF-FHWLQOOXSA-N 1 0 474.610 3.237 20 5 JGBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001305526025 1068779588 /nfs/dbraw/zinc/77/95/88/1068779588.db2.gz IZDALAAJWDQKLT-JPYJTQIMSA-N 1 0 473.647 3.464 20 5 JGBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305526028 1068779672 /nfs/dbraw/zinc/77/96/72/1068779672.db2.gz IZDALAAJWDQKLT-WZONZLPQSA-N 1 0 473.647 3.464 20 5 JGBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001305608269 1068878971 /nfs/dbraw/zinc/87/89/71/1068878971.db2.gz QIUYLDLBPOCNGN-NQIIRXRSSA-N 1 0 469.590 3.175 20 5 JGBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001305608268 1068879018 /nfs/dbraw/zinc/87/90/18/1068879018.db2.gz QIUYLDLBPOCNGN-GHTZIAJQSA-N 1 0 469.590 3.175 20 5 JGBDRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001305622641 1068911264 /nfs/dbraw/zinc/91/12/64/1068911264.db2.gz HDDXHYPYXSQEGQ-GHTZIAJQSA-N 1 0 457.579 3.095 20 5 JGBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)C[C@@H]1C)[NH+](C)C ZINC001305703269 1069086254 /nfs/dbraw/zinc/08/62/54/1069086254.db2.gz GVXJGAUFEBBVJT-HTAPYJJXSA-N 1 0 471.606 3.277 20 5 JGBDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164620679 719008015 /nfs/dbraw/zinc/00/80/15/719008015.db2.gz ZEZWBFXJNQJDDP-AUUYWEPGSA-N 1 0 458.893 3.337 20 5 JGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683268 719660309 /nfs/dbraw/zinc/66/03/09/719660309.db2.gz UXLYEAUNODEHRJ-QGZVFWFLSA-N 1 0 487.004 3.440 20 5 JGBDRO COc1cc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2cc1[N+](=O)[O-] ZINC001164696728 719892967 /nfs/dbraw/zinc/89/29/67/719892967.db2.gz IDPGQQVGEXRJCI-UHFFFAOYSA-N 1 0 455.540 3.480 20 5 JGBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164748387 720845714 /nfs/dbraw/zinc/84/57/14/720845714.db2.gz UPZLDVWYUOPMDW-KJXAQDMKSA-N 1 0 460.542 3.023 20 5 JGBDRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164755323 720878346 /nfs/dbraw/zinc/87/83/46/720878346.db2.gz WQMCHDULFLTJQD-GBXCKJPGSA-N 1 0 453.543 3.149 20 5 JGBDRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164755099 720884988 /nfs/dbraw/zinc/88/49/88/720884988.db2.gz KRODAMDHAZQOAW-RDPSFJRHSA-N 1 0 453.543 3.149 20 5 JGBDRO COc1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754012 720887003 /nfs/dbraw/zinc/88/70/03/720887003.db2.gz IEAVHPZVBBPXQV-BWKNWUBXSA-N 1 0 467.570 3.457 20 5 JGBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164757187 720892783 /nfs/dbraw/zinc/89/27/83/720892783.db2.gz UFCAAZZBBBGGPK-AUSIDOKSSA-N 1 0 473.961 3.032 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1F ZINC001164880682 721173203 /nfs/dbraw/zinc/17/32/03/721173203.db2.gz XAAMRHCLFUSYTQ-MOPGFXCFSA-N 1 0 450.474 3.066 20 5 JGBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1 ZINC001164768909 721228505 /nfs/dbraw/zinc/22/85/05/721228505.db2.gz YMXAHWUETTZHSE-MSOLQXFVSA-N 1 0 453.934 3.397 20 5 JGBDRO CCc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164896125 721440772 /nfs/dbraw/zinc/44/07/72/721440772.db2.gz QOJMOIXFCRKKHC-ZEQKJWHPSA-N 1 0 480.613 3.380 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164785273 721452713 /nfs/dbraw/zinc/45/27/13/721452713.db2.gz IALHLYFKUSGQOP-MRXNPFEDSA-N 1 0 486.038 3.494 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164785945 721455299 /nfs/dbraw/zinc/45/52/99/721455299.db2.gz JKLFGVBIAWHNNF-HNNXBMFYSA-N 1 0 474.389 3.426 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164788639 721458599 /nfs/dbraw/zinc/45/85/99/721458599.db2.gz UZJPUMLQLKVQPQ-HXUWFJFHSA-N 1 0 455.559 3.272 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164906922 721585350 /nfs/dbraw/zinc/58/53/50/721585350.db2.gz PGZWHQXNDAKNLO-FQEVSTJZSA-N 1 0 496.902 3.348 20 5 JGBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165050749 721979381 /nfs/dbraw/zinc/97/93/81/721979381.db2.gz WOMBRGHRSJWTJV-QGZVFWFLSA-N 1 0 462.547 3.044 20 5 JGBDRO COc1cc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2cc1[N+](=O)[O-] ZINC001164964875 722056280 /nfs/dbraw/zinc/05/62/80/722056280.db2.gz YYLNTIFKBXNYQR-UHFFFAOYSA-N 1 0 464.526 3.061 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971383 722108227 /nfs/dbraw/zinc/10/82/27/722108227.db2.gz BUGSOJJCJZNSHO-IERDGZPVSA-N 1 0 454.918 3.314 20 5 JGBDRO CC[C@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001305882479 1069436453 /nfs/dbraw/zinc/43/64/53/1069436453.db2.gz OXTKQWAMBYRWBZ-ZJSXRUAMSA-N 1 0 472.590 3.096 20 5 JGBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(CC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298367223 1064221853 /nfs/dbraw/zinc/22/18/53/1064221853.db2.gz LRFNADCUTFILNE-UHFFFAOYSA-N 1 0 457.623 3.437 20 5 JGBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccn2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298615901 1064387249 /nfs/dbraw/zinc/38/72/49/1064387249.db2.gz YAUHGZYQDVAZRZ-QHCPKHFHSA-N 1 0 467.599 3.365 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001298621750 1064393508 /nfs/dbraw/zinc/39/35/08/1064393508.db2.gz SFNLJWOMDPFIAH-QUCCMNQESA-N 1 0 483.598 3.181 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001298621799 1064394202 /nfs/dbraw/zinc/39/42/02/1064394202.db2.gz TVTRVLWJPWJTJF-QUCCMNQESA-N 1 0 454.531 3.265 20 5 JGBDRO C[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC001298698529 1064501619 /nfs/dbraw/zinc/50/16/19/1064501619.db2.gz RQRWZFLYKVHCOR-GOSISDBHSA-N 1 0 468.480 3.495 20 5 JGBDRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001299071415 1064871193 /nfs/dbraw/zinc/87/11/93/1064871193.db2.gz DYDBXDQIRDDZBU-PZJWPPBQSA-N 1 0 483.617 3.470 20 5 JGBDRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001299071413 1064871301 /nfs/dbraw/zinc/87/13/01/1064871301.db2.gz DYDBXDQIRDDZBU-CTNGQTDRSA-N 1 0 483.617 3.470 20 5 JGBDRO CO[C@@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299750277 1064950112 /nfs/dbraw/zinc/95/01/12/1064950112.db2.gz NFBTXVZIPHZYLY-QPPBQGQZSA-N 1 0 472.590 3.096 20 5 JGBDRO CNc1nccc(C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001299753998 1064953488 /nfs/dbraw/zinc/95/34/88/1064953488.db2.gz NJVBUPGIJZRVMX-UHFFFAOYSA-N 1 0 451.325 3.044 20 5 JGBDRO COC[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001301237017 1066054455 /nfs/dbraw/zinc/05/44/55/1066054455.db2.gz KULSAOYVBKWCPT-FQEVSTJZSA-N 1 0 485.633 3.132 20 5 JGBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001301358775 1066148916 /nfs/dbraw/zinc/14/89/16/1066148916.db2.gz DJJLRJJDBDVCDK-IPJJNNNSSA-N 1 0 472.590 3.073 20 5 JGBDRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C1CCCCC1 ZINC001301980191 1066286385 /nfs/dbraw/zinc/28/63/85/1066286385.db2.gz AEJPXUWLFRREOH-QZTJIDSGSA-N 1 0 492.646 3.376 20 5 JGBDRO COCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001301551366 1066379046 /nfs/dbraw/zinc/37/90/46/1066379046.db2.gz CCHBWWROOWLIFB-UHFFFAOYSA-N 1 0 485.633 3.275 20 5 JGBDRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001301650402 1066516766 /nfs/dbraw/zinc/51/67/66/1066516766.db2.gz CPECUWOGBDRMFC-IBGZPJMESA-N 1 0 469.590 3.032 20 5 JGBDRO CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001301695889 1066584113 /nfs/dbraw/zinc/58/41/13/1066584113.db2.gz HTEOROIHRORPLU-UHFFFAOYSA-N 1 0 469.590 3.176 20 5 JGBDRO CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301696306 1066584539 /nfs/dbraw/zinc/58/45/39/1066584539.db2.gz MFOSXCIYFXYQTL-DFBJGRDBSA-N 1 0 483.617 3.422 20 5 JGBDRO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)(c2ccccc2)CC1 ZINC001301715855 1066618078 /nfs/dbraw/zinc/61/80/78/1066618078.db2.gz AZSPVWPSAZACOH-UHFFFAOYSA-N 1 0 452.540 3.258 20 5 JGBDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)c2cccs2)CC1 ZINC001302202016 1066697506 /nfs/dbraw/zinc/69/75/06/1066697506.db2.gz AQRARHPKCSTHGU-UHFFFAOYSA-N 1 0 483.598 3.265 20 5 JGBDRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001301853204 1066830652 /nfs/dbraw/zinc/83/06/52/1066830652.db2.gz JOBODGJTFGRLOJ-FQEVSTJZSA-N 1 0 471.606 3.325 20 5 JGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001301878149 1066881063 /nfs/dbraw/zinc/88/10/63/1066881063.db2.gz BLXRWDRMSAMMTD-QRQLOZEOSA-N 1 0 456.568 3.288 20 5 JGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001301878146 1066881319 /nfs/dbraw/zinc/88/13/19/1066881319.db2.gz BLXRWDRMSAMMTD-BHIYHBOVSA-N 1 0 456.568 3.288 20 5 JGBDRO CC(=O)NCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001301880321 1066885375 /nfs/dbraw/zinc/88/53/75/1066885375.db2.gz QHHGJXFMECDVBY-IBGZPJMESA-N 1 0 483.617 3.328 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccsc2)C[C@@H]1C ZINC001301885963 1066895300 /nfs/dbraw/zinc/89/53/00/1066895300.db2.gz OTXGLPXGXIANEE-KRWDZBQOSA-N 1 0 456.572 3.314 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C2CCCCC2)C[C@H]1C ZINC001301886194 1066896559 /nfs/dbraw/zinc/89/65/59/1066896559.db2.gz SISGBUGOWBBDBR-CLOONOSVSA-N 1 0 486.617 3.342 20 5 JGBDRO CC(C)c1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302638651 1067268185 /nfs/dbraw/zinc/26/81/85/1067268185.db2.gz OHDCPHJRWITBKO-UHFFFAOYSA-N 1 0 485.633 3.384 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001302808715 1067396743 /nfs/dbraw/zinc/39/67/43/1067396743.db2.gz RHNHSSMMPIAHRX-PMACEKPBSA-N 1 0 467.578 3.300 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1nncn1C)[NH+](C)C ZINC001302808717 1067396907 /nfs/dbraw/zinc/39/69/07/1067396907.db2.gz RHNHSSMMPIAHRX-UXHICEINSA-N 1 0 467.578 3.300 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1nncn1C)[NH+](C)C ZINC001302808721 1067396928 /nfs/dbraw/zinc/39/69/28/1067396928.db2.gz RHNHSSMMPIAHRX-WOJBJXKFSA-N 1 0 467.578 3.300 20 5 JGBDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001302853902 1067438259 /nfs/dbraw/zinc/43/82/59/1067438259.db2.gz ZDWOQXVTKNHWIY-GOSISDBHSA-N 1 0 458.946 3.491 20 5 JGBDRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001303224744 1067761570 /nfs/dbraw/zinc/76/15/70/1067761570.db2.gz VHPBPCASAFDOFP-PKTZIBPZSA-N 1 0 486.617 3.461 20 5 JGBDRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001303224743 1067761647 /nfs/dbraw/zinc/76/16/47/1067761647.db2.gz VHPBPCASAFDOFP-GOTSBHOMSA-N 1 0 486.617 3.461 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001303272181 1067801069 /nfs/dbraw/zinc/80/10/69/1067801069.db2.gz ZIWGJXMUKWPZNH-IBGZPJMESA-N 1 0 452.563 3.311 20 5 JGBDRO CC(C)[NH+](CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001303291928 1067817016 /nfs/dbraw/zinc/81/70/16/1067817016.db2.gz PFISOUPOEYZACB-OAQYLSRUSA-N 1 0 469.590 3.209 20 5 JGBDRO CC(C)[NH+](CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC001303299424 1067824131 /nfs/dbraw/zinc/82/41/31/1067824131.db2.gz UDOYXVBPSILGQY-NRFANRHFSA-N 1 0 486.621 3.268 20 5 JGBDRO Cc1cc(C)n(Cc2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001304745600 1067825049 /nfs/dbraw/zinc/82/50/49/1067825049.db2.gz ODUPSIIHCKUYDN-SFHVURJKSA-N 1 0 452.563 3.167 20 5 JGBDRO CC(C)NC(=O)c1nnc(N(C)CCc2cccc([N+](=O)[O-])c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001303340674 1067869060 /nfs/dbraw/zinc/86/90/60/1067869060.db2.gz XTCXSCLIZPSOHX-HXUWFJFHSA-N 1 0 471.606 3.124 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001304925457 1067969114 /nfs/dbraw/zinc/96/91/14/1067969114.db2.gz MDEWAQYWBLLDOX-AQNXPRMDSA-N 1 0 483.617 3.278 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)CC2)C1 ZINC001304928654 1067976552 /nfs/dbraw/zinc/97/65/52/1067976552.db2.gz WEGUKRKEZIPJEB-RTBURBONSA-N 1 0 474.631 3.180 20 5 JGBDRO CC(C)[NH2+]C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001303463830 1067983068 /nfs/dbraw/zinc/98/30/68/1067983068.db2.gz ZVBHRUIHMBKFQI-UHFFFAOYSA-N 1 0 490.630 3.178 20 5 JGBDRO C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305013897 1068054310 /nfs/dbraw/zinc/05/43/10/1068054310.db2.gz BBMDMOBXRQPWGR-GOSISDBHSA-N 1 0 452.563 3.488 20 5 JGBDRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001305013898 1068055263 /nfs/dbraw/zinc/05/52/63/1068055263.db2.gz BBMDMOBXRQPWGR-SFHVURJKSA-N 1 0 452.563 3.488 20 5 JGBDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305057862 1068120345 /nfs/dbraw/zinc/12/03/45/1068120345.db2.gz DMNPEHHIDNDHHX-SFHVURJKSA-N 1 0 469.590 3.032 20 5 JGBDRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001305068396 1068142370 /nfs/dbraw/zinc/14/23/70/1068142370.db2.gz WKXBHAIFHONHOW-HXUWFJFHSA-N 1 0 483.617 3.108 20 5 JGBDRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC001305114587 1068193018 /nfs/dbraw/zinc/19/30/18/1068193018.db2.gz SRVKXQSATJZKRF-ROUUACIJSA-N 1 0 480.573 3.168 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001303696675 1068240172 /nfs/dbraw/zinc/24/01/72/1068240172.db2.gz RTPOPTVYVRFZLX-YTQUADARSA-N 1 0 485.589 3.107 20 5 JGBDRO C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(C)(C)O1 ZINC001305142847 1068240839 /nfs/dbraw/zinc/24/08/39/1068240839.db2.gz PPGMJTBTWPFJKJ-NQIIRXRSSA-N 1 0 472.590 3.094 20 5 JGBDRO CC[C@@H](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305346566 1068586655 /nfs/dbraw/zinc/58/66/55/1068586655.db2.gz FXPGCJLYIFEDDQ-VIZSFHNOSA-N 1 0 486.617 3.463 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305526605 1068779622 /nfs/dbraw/zinc/77/96/22/1068779622.db2.gz LFDPMVUKJQWRSP-AZUAARDMSA-N 1 0 458.611 3.398 20 5 JGBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305702240 1069083998 /nfs/dbraw/zinc/08/39/98/1069083998.db2.gz AHTVOXZYECIOCJ-SFTDATJTSA-N 1 0 492.646 3.233 20 5 JGBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001305705227 1069092734 /nfs/dbraw/zinc/09/27/34/1069092734.db2.gz PAPVSWLXFJFQTO-FGZHOGPDSA-N 1 0 472.590 3.215 20 5 JGBDRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC[NH+]1CCCCC1 ZINC001305761488 1069227739 /nfs/dbraw/zinc/22/77/39/1069227739.db2.gz KPNHDDFINHWUQZ-UHFFFAOYSA-N 1 0 469.590 3.153 20 5 JGBDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164620346 719006952 /nfs/dbraw/zinc/00/69/52/719006952.db2.gz YMUKMDPHGJKHSS-DNVCBOLYSA-N 1 0 458.893 3.337 20 5 JGBDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164619252 719008446 /nfs/dbraw/zinc/00/84/46/719008446.db2.gz UVYGLMMMJNSMCV-HNAYVOBHSA-N 1 0 458.893 3.337 20 5 JGBDRO Cc1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164685372 719661565 /nfs/dbraw/zinc/66/15/65/719661565.db2.gz ZTYLTXQFELWHCG-LJQANCHMSA-N 1 0 451.571 3.392 20 5 JGBDRO COc1cc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164680499 719666590 /nfs/dbraw/zinc/66/65/90/719666590.db2.gz GOZDXNXNERMKHT-LJQANCHMSA-N 1 0 481.597 3.400 20 5 JGBDRO Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164813476 720240130 /nfs/dbraw/zinc/24/01/30/720240130.db2.gz OTNKEGDHVBXQQM-UHFFFAOYSA-N 1 0 463.542 3.167 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164825946 720291493 /nfs/dbraw/zinc/29/14/93/720291493.db2.gz UUVJADOYJYIADM-HOTGVXAUSA-N 1 0 457.909 3.100 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1[N+](=O)[O-] ZINC001164829799 720330907 /nfs/dbraw/zinc/33/09/07/720330907.db2.gz NTVAQEAURMKHCA-YADHBBJMSA-N 1 0 464.570 3.272 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1[N+](=O)[O-] ZINC001164829796 720331278 /nfs/dbraw/zinc/33/12/78/720331278.db2.gz NTVAQEAURMKHCA-VXKWHMMOSA-N 1 0 464.570 3.272 20 5 JGBDRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164829967 720343202 /nfs/dbraw/zinc/34/32/02/720343202.db2.gz UPUMPDDGEOGUCF-VXKWHMMOSA-N 1 0 464.570 3.272 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164821364 720348974 /nfs/dbraw/zinc/34/89/74/720348974.db2.gz ACNWRPDEDCHMAW-NHCUHLMSSA-N 1 0 468.533 3.102 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001164831201 720355255 /nfs/dbraw/zinc/35/52/55/720355255.db2.gz XZZKURZTZHJEPV-ROUUACIJSA-N 1 0 458.950 3.103 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839406 720514374 /nfs/dbraw/zinc/51/43/74/720514374.db2.gz UBICMPKUVJTNCP-JFIYKMOQSA-N 1 0 476.965 3.394 20 5 JGBDRO CCOC(=O)c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164842841 720724008 /nfs/dbraw/zinc/72/40/08/720724008.db2.gz ZFYVROUYFIXRMZ-LJQANCHMSA-N 1 0 454.527 3.426 20 5 JGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164742728 720818422 /nfs/dbraw/zinc/81/84/22/720818422.db2.gz QRPZXRKJTDWVPD-BZUAXINKSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl ZINC001164742736 720818485 /nfs/dbraw/zinc/81/84/85/720818485.db2.gz QRPZXRKJTDWVPD-OWCLPIDISA-N 1 0 467.908 3.159 20 5 JGBDRO COc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164755101 720884710 /nfs/dbraw/zinc/88/47/10/720884710.db2.gz KRODAMDHAZQOAW-YKSBVNFPSA-N 1 0 453.543 3.149 20 5 JGBDRO CCOC(=O)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164747286 720929280 /nfs/dbraw/zinc/92/92/80/720929280.db2.gz CPKFXKBFDAISKZ-QFQXNSOFSA-N 1 0 495.580 3.317 20 5 JGBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164780115 721347492 /nfs/dbraw/zinc/34/74/92/721347492.db2.gz ZUZKFAYAPOPBFC-HSZRJFAPSA-N 1 0 452.515 3.262 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898636 721425969 /nfs/dbraw/zinc/42/59/69/721425969.db2.gz WGKXKKQVIRLWOC-OFVILXPXSA-N 1 0 466.586 3.126 20 5 JGBDRO Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898334 721439480 /nfs/dbraw/zinc/43/94/80/721439480.db2.gz VQRKUEUPXJZKFN-RDGATRHJSA-N 1 0 466.586 3.126 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164787152 721470802 /nfs/dbraw/zinc/47/08/02/721470802.db2.gz CSUQRDZNUSZWST-IBGZPJMESA-N 1 0 455.559 3.272 20 5 JGBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164933390 721890230 /nfs/dbraw/zinc/89/02/30/721890230.db2.gz LKEDGZAHNWMVBT-RBUKOAKNSA-N 1 0 466.920 3.465 20 5 JGBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164982266 722101668 /nfs/dbraw/zinc/10/16/68/722101668.db2.gz NCXGTOKVZLOWGN-YJBOKZPZSA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164978271 722108217 /nfs/dbraw/zinc/10/82/17/722108217.db2.gz ODTXLURHKGTYJK-OXJNMPFZSA-N 1 0 454.918 3.314 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971382 722108454 /nfs/dbraw/zinc/10/84/54/722108454.db2.gz BUGSOJJCJZNSHO-HRAATJIYSA-N 1 0 454.918 3.314 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971067 722157041 /nfs/dbraw/zinc/15/70/41/722157041.db2.gz AIBQTPGLVFMMQB-OXJNMPFZSA-N 1 0 454.918 3.314 20 5 JGBDRO Cc1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)cc1[N+](=O)[O-] ZINC001165002249 722255084 /nfs/dbraw/zinc/25/50/84/722255084.db2.gz MFIHNQZQZVZFFS-UHFFFAOYSA-N 1 0 451.531 3.045 20 5 JGBDRO CC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001305814453 1069346235 /nfs/dbraw/zinc/34/62/35/1069346235.db2.gz HYPXSDOHKUSIMV-FQEVSTJZSA-N 1 0 483.617 3.422 20 5 JGBDRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC001305825183 1069363679 /nfs/dbraw/zinc/36/36/79/1069363679.db2.gz PHJJPKYAYJGLEV-FQEVSTJZSA-N 1 0 452.563 3.140 20 5 JGBDRO CN(CC(F)(F)F)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001298239625 1064144029 /nfs/dbraw/zinc/14/40/29/1064144029.db2.gz GNNMSBNSENKXMQ-KRWDZBQOSA-N 1 0 456.469 3.089 20 5 JGBDRO CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298583798 1064357736 /nfs/dbraw/zinc/35/77/36/1064357736.db2.gz SSIWWWPFUGQBMC-QHCPKHFHSA-N 1 0 490.630 3.126 20 5 JGBDRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)cc2)cc1[N+](=O)[O-] ZINC001299817980 1065011932 /nfs/dbraw/zinc/01/19/32/1065011932.db2.gz FMQMUOGYTOBGPF-KDURUIRLSA-N 1 0 458.540 3.061 20 5 JGBDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC001299845165 1065045189 /nfs/dbraw/zinc/04/51/89/1065045189.db2.gz HHIXSFGMHMVQPA-UHFFFAOYSA-N 1 0 454.518 3.160 20 5 JGBDRO COC[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001300959047 1065766219 /nfs/dbraw/zinc/76/62/19/1065766219.db2.gz QTTFQVOCZADVFT-FQEVSTJZSA-N 1 0 485.633 3.131 20 5 JGBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301362460 1066156900 /nfs/dbraw/zinc/15/69/00/1066156900.db2.gz VQNBIFIQLZWKKV-FCHUYYIVSA-N 1 0 472.590 3.215 20 5 JGBDRO CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC001301543835 1066372768 /nfs/dbraw/zinc/37/27/68/1066372768.db2.gz BFARUAPCUOZTOA-YADHBBJMSA-N 1 0 450.539 3.494 20 5 JGBDRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001301653035 1066521355 /nfs/dbraw/zinc/52/13/55/1066521355.db2.gz NXWQXHFHUQHOPA-HXUWFJFHSA-N 1 0 483.617 3.280 20 5 JGBDRO CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001301696305 1066584526 /nfs/dbraw/zinc/58/45/26/1066584526.db2.gz MFOSXCIYFXYQTL-CLOONOSVSA-N 1 0 483.617 3.422 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001301722882 1066632236 /nfs/dbraw/zinc/63/22/36/1066632236.db2.gz WIGMIBPAXVUSNJ-FQEVSTJZSA-N 1 0 483.617 3.422 20 5 JGBDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)CC1 ZINC001302195474 1066684388 /nfs/dbraw/zinc/68/43/88/1066684388.db2.gz RODKASRBKOGVEM-JOCHJYFZSA-N 1 0 460.604 3.032 20 5 JGBDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c(C)c3)C2)c1 ZINC001301783536 1066732043 /nfs/dbraw/zinc/73/20/43/1066732043.db2.gz QNRULCGOOMYWDT-GGAORHGYSA-N 1 0 450.539 3.207 20 5 JGBDRO CC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001301836991 1066808487 /nfs/dbraw/zinc/80/84/87/1066808487.db2.gz WEFNMUFGIHICBO-UHFFFAOYSA-N 1 0 469.590 3.080 20 5 JGBDRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001301853205 1066830866 /nfs/dbraw/zinc/83/08/66/1066830866.db2.gz JOBODGJTFGRLOJ-HXUWFJFHSA-N 1 0 471.606 3.325 20 5 JGBDRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+]1CCOCC1 ZINC001302516442 1067135144 /nfs/dbraw/zinc/13/51/44/1067135144.db2.gz SRRVXDACJGUIBF-HSZRJFAPSA-N 1 0 494.600 3.415 20 5 JGBDRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC001302520868 1067140074 /nfs/dbraw/zinc/14/00/74/1067140074.db2.gz XTZBDCAKFFRIKK-QHCPKHFHSA-N 1 0 479.585 3.284 20 5 JGBDRO Cc1ccoc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001304104018 1067145247 /nfs/dbraw/zinc/14/52/47/1067145247.db2.gz BWNQQTJHNGWXEW-UHFFFAOYSA-N 1 0 454.531 3.350 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2ccnn2)CC1)[NH+](C)C ZINC001302808558 1067396917 /nfs/dbraw/zinc/39/69/17/1067396917.db2.gz QGBFGCXPMUFWMB-QFIPXVFZSA-N 1 0 481.605 3.338 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001302809060 1067397602 /nfs/dbraw/zinc/39/76/02/1067397602.db2.gz TUVDXKAXCDVBIR-RDGATRHJSA-N 1 0 485.633 3.131 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCC(F)(F)F)c1 ZINC001303134824 1067674431 /nfs/dbraw/zinc/67/44/31/1067674431.db2.gz CXBSEZOKJOOFNS-MRXNPFEDSA-N 1 0 468.480 3.354 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCCC(F)(F)F)c1 ZINC001303134822 1067674443 /nfs/dbraw/zinc/67/44/43/1067674443.db2.gz CXBSEZOKJOOFNS-INIZCTEOSA-N 1 0 468.480 3.354 20 5 JGBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001303173054 1067707043 /nfs/dbraw/zinc/70/70/43/1067707043.db2.gz OXALOHPNRFPBRT-HXUWFJFHSA-N 1 0 483.617 3.313 20 5 JGBDRO CC(C)COC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001303216167 1067753474 /nfs/dbraw/zinc/75/34/74/1067753474.db2.gz QVDDBLRYCUYGLD-UHFFFAOYSA-N 1 0 499.616 3.500 20 5 JGBDRO CC(C)[N@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001303261480 1067787677 /nfs/dbraw/zinc/78/76/77/1067787677.db2.gz JVUJTCHWCKIEHG-KRWDZBQOSA-N 1 0 456.469 3.351 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(N2CCCCC2=O)CC1 ZINC001303271804 1067800596 /nfs/dbraw/zinc/80/05/96/1067800596.db2.gz WHZMJWDUAVGJJI-UHFFFAOYSA-N 1 0 469.590 3.175 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001303272180 1067801004 /nfs/dbraw/zinc/80/10/04/1067801004.db2.gz ZFOGEABNABIZQJ-UHFFFAOYSA-N 1 0 458.563 3.315 20 5 JGBDRO Cc1cc(C)n(Cc2nnc(N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001304745596 1067824870 /nfs/dbraw/zinc/82/48/70/1067824870.db2.gz ODUPSIIHCKUYDN-GOSISDBHSA-N 1 0 452.563 3.167 20 5 JGBDRO C[C@H]1CCCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001305017951 1068062299 /nfs/dbraw/zinc/06/22/99/1068062299.db2.gz MQJCULZTUNCJEZ-FQEVSTJZSA-N 1 0 483.617 3.366 20 5 JGBDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001305021381 1068070813 /nfs/dbraw/zinc/07/08/13/1068070813.db2.gz VXALQSCRSIDOTO-FQEVSTJZSA-N 1 0 497.644 3.498 20 5 JGBDRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001305025286 1068080011 /nfs/dbraw/zinc/08/00/11/1068080011.db2.gz LZCAHYXVIUPNMP-OALUTQOASA-N 1 0 466.590 3.386 20 5 JGBDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CSCCS2)CC1 ZINC001303570327 1068094464 /nfs/dbraw/zinc/09/44/64/1068094464.db2.gz QKKZCMQBWXZCNW-FQEVSTJZSA-N 1 0 492.671 3.249 20 5 JGBDRO C[C@H]1CCC[N@H+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001305048440 1068107892 /nfs/dbraw/zinc/10/78/92/1068107892.db2.gz GECPHBWUAYXWNT-NRFANRHFSA-N 1 0 499.660 3.380 20 5 JGBDRO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001303694210 1068237086 /nfs/dbraw/zinc/23/70/86/1068237086.db2.gz DNGUDSLVQPKBEK-KRWDZBQOSA-N 1 0 455.588 3.187 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CC(F)(F)F)CC1)[N@H+](C)C1CC1 ZINC001303696395 1068239573 /nfs/dbraw/zinc/23/95/73/1068239573.db2.gz OLEJUWMJWNFXNK-MRXNPFEDSA-N 1 0 481.523 3.410 20 5 JGBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCN(C)C)CC2)CC(C)(C)O1 ZINC001305142484 1068239761 /nfs/dbraw/zinc/23/97/61/1068239761.db2.gz NXQMFXPZJNQDCL-IBGZPJMESA-N 1 0 485.633 3.131 20 5 JGBDRO C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)[NH+](C)C)CCN1CC(F)(F)F ZINC001305144819 1068244920 /nfs/dbraw/zinc/24/49/20/1068244920.db2.gz UIZVDWWDBFYOLH-KXBFYZLASA-N 1 0 481.523 3.266 20 5 JGBDRO CC[C@H](C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305346560 1068586671 /nfs/dbraw/zinc/58/66/71/1068586671.db2.gz FXPGCJLYIFEDDQ-MIZPHKNDSA-N 1 0 486.617 3.463 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305452801 1068688908 /nfs/dbraw/zinc/68/89/08/1068688908.db2.gz KXNRDZKARCUUCF-GBESFXJTSA-N 1 0 474.610 3.237 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001305452517 1068688957 /nfs/dbraw/zinc/68/89/57/1068688957.db2.gz HHXHGIHSSWSXNT-IBGZPJMESA-N 1 0 487.653 3.011 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001305526024 1068779656 /nfs/dbraw/zinc/77/96/56/1068779656.db2.gz IZDALAAJWDQKLT-FDDCHVKYSA-N 1 0 473.647 3.464 20 5 JGBDRO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001305526674 1068780205 /nfs/dbraw/zinc/78/02/05/1068780205.db2.gz KUEFJJOGVYCECE-OAQYLSRUSA-N 1 0 484.649 3.054 20 5 JGBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001305606549 1068873686 /nfs/dbraw/zinc/87/36/86/1068873686.db2.gz JZLRHWOVYCSOCE-HXUWFJFHSA-N 1 0 498.632 3.312 20 5 JGBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2ncccn2)CC1)[NH+](C)C ZINC001305702202 1069083957 /nfs/dbraw/zinc/08/39/57/1069083957.db2.gz AFCPZYQZCIQCLW-QFIPXVFZSA-N 1 0 493.616 3.336 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164424686 718919555 /nfs/dbraw/zinc/91/95/55/718919555.db2.gz OIUONVAGWXLTFE-FQEVSTJZSA-N 1 0 468.888 3.440 20 5 JGBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC001164618887 719031929 /nfs/dbraw/zinc/03/19/29/719031929.db2.gz ZTPLPOZVZWEAFS-UHFFFAOYSA-N 1 0 465.860 3.301 20 5 JGBDRO Cc1nc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164684433 719656295 /nfs/dbraw/zinc/65/62/95/719656295.db2.gz XITCUAVTYYPJJC-QGZVFWFLSA-N 1 0 487.004 3.440 20 5 JGBDRO Cn1nnc2c1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719889 720187353 /nfs/dbraw/zinc/18/73/53/720187353.db2.gz YEAANSHAFOZKHG-LJQANCHMSA-N 1 0 471.949 3.141 20 5 JGBDRO Cn1nnc2c1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715730 720197198 /nfs/dbraw/zinc/19/71/98/720197198.db2.gz MVEVDOSBLXAOHN-FQEVSTJZSA-N 1 0 471.949 3.141 20 5 JGBDRO Cn1nnc2c1CCN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715733 720198211 /nfs/dbraw/zinc/19/82/11/720198211.db2.gz MVEVDOSBLXAOHN-HXUWFJFHSA-N 1 0 471.949 3.141 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164819594 720305138 /nfs/dbraw/zinc/30/51/38/720305138.db2.gz DQPNVPOUCZOEDW-HUUCEWRRSA-N 1 0 457.909 3.100 20 5 JGBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164835359 720553923 /nfs/dbraw/zinc/55/39/23/720553923.db2.gz GYXBYDPQUGXERW-QLFBSQMISA-N 1 0 451.984 3.334 20 5 JGBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164835362 720554225 /nfs/dbraw/zinc/55/42/25/720554225.db2.gz GYXBYDPQUGXERW-RBSFLKMASA-N 1 0 451.984 3.334 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164843233 720664019 /nfs/dbraw/zinc/66/40/19/720664019.db2.gz VRVYOYZEHJYVFF-QGZVFWFLSA-N 1 0 489.960 3.475 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164843232 720664572 /nfs/dbraw/zinc/66/45/72/720664572.db2.gz VRVYOYZEHJYVFF-KRWDZBQOSA-N 1 0 489.960 3.475 20 5 JGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737737 720820264 /nfs/dbraw/zinc/82/02/64/720820264.db2.gz CIFQDYFKEDYSEV-XAUMDUMWSA-N 1 0 468.949 3.162 20 5 JGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737735 720820276 /nfs/dbraw/zinc/82/02/76/720820276.db2.gz CIFQDYFKEDYSEV-RIFZZMRRSA-N 1 0 468.949 3.162 20 5 JGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738816 720826122 /nfs/dbraw/zinc/82/61/22/720826122.db2.gz GVIQYNQVNCFGSO-OFQRWUPVSA-N 1 0 452.346 3.268 20 5 JGBDRO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164750343 720852231 /nfs/dbraw/zinc/85/22/31/720852231.db2.gz PNYIUODRYLRRHK-CNNODRBYSA-N 1 0 460.542 3.023 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)ccc1F ZINC001164753573 720854857 /nfs/dbraw/zinc/85/48/57/720854857.db2.gz YDVYKTAHZQSFIY-NNMXDRDESA-N 1 0 478.532 3.162 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164747848 720870866 /nfs/dbraw/zinc/87/08/66/720870866.db2.gz BYJVQXRDVLWGDQ-AVRDEDQJSA-N 1 0 458.950 3.188 20 5 JGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755255 720878101 /nfs/dbraw/zinc/87/81/01/720878101.db2.gz VJDPKDIHGZWNPA-XXBNENTESA-N 1 0 472.977 3.497 20 5 JGBDRO COc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751611 720886824 /nfs/dbraw/zinc/88/68/24/720886824.db2.gz CQHWRDCSRAGQAN-HYBUGGRVSA-N 1 0 453.543 3.149 20 5 JGBDRO COc1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754015 720887010 /nfs/dbraw/zinc/88/70/10/720887010.db2.gz IEAVHPZVBBPXQV-OFVILXPXSA-N 1 0 467.570 3.457 20 5 JGBDRO COc1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754016 720887102 /nfs/dbraw/zinc/88/71/02/720887102.db2.gz IEAVHPZVBBPXQV-PXDATVDWSA-N 1 0 467.570 3.457 20 5 JGBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)CC[C@H]2C1 ZINC001164859421 720892318 /nfs/dbraw/zinc/89/23/18/720892318.db2.gz QGZBUXMJJMAIFW-YWZLYKJASA-N 1 0 497.930 3.424 20 5 JGBDRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898337 721439591 /nfs/dbraw/zinc/43/95/91/721439591.db2.gz VQRKUEUPXJZKFN-WIOPSUGQSA-N 1 0 466.586 3.126 20 5 JGBDRO Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164898325 721439860 /nfs/dbraw/zinc/43/98/60/721439860.db2.gz VQRKUEUPXJZKFN-DHLKQENFSA-N 1 0 466.586 3.126 20 5 JGBDRO CCc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164896120 721440115 /nfs/dbraw/zinc/44/01/15/721440115.db2.gz QOJMOIXFCRKKHC-JYFHCDHNSA-N 1 0 480.613 3.380 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164790639 721466948 /nfs/dbraw/zinc/46/69/48/721466948.db2.gz SYBMBJOBYXCLJI-OUZREKFBSA-N 1 0 473.618 3.256 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164787154 721470987 /nfs/dbraw/zinc/47/09/87/721470987.db2.gz CSUQRDZNUSZWST-LJQANCHMSA-N 1 0 455.559 3.272 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901607 721515515 /nfs/dbraw/zinc/51/55/15/721515515.db2.gz XPITTYKZIIYCEL-HOCLYGCPSA-N 1 0 464.881 3.301 20 5 JGBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164930195 721889871 /nfs/dbraw/zinc/88/98/71/721889871.db2.gz CLWYXRSFKIXLJZ-OALUTQOASA-N 1 0 466.920 3.465 20 5 JGBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl ZINC001164933391 721890300 /nfs/dbraw/zinc/89/03/00/721890300.db2.gz LKEDGZAHNWMVBT-RTBURBONSA-N 1 0 466.920 3.465 20 5 JGBDRO COC(=O)c1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-] ZINC001164939709 721922856 /nfs/dbraw/zinc/92/28/56/721922856.db2.gz LLVWSTFZOBIQSM-UHFFFAOYSA-N 1 0 475.933 3.005 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164977312 722109847 /nfs/dbraw/zinc/10/98/47/722109847.db2.gz MNDVTFUSJUKICW-MAUKXSAKSA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981661 722142406 /nfs/dbraw/zinc/14/24/06/722142406.db2.gz PXUYXKUPUPORGV-ZIAGYGMSSA-N 1 0 472.855 3.179 20 5 JGBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CCC2 ZINC001165004960 722257307 /nfs/dbraw/zinc/25/73/07/722257307.db2.gz YRHQPASONWWJFJ-UHFFFAOYSA-N 1 0 471.949 3.390 20 5 JGBDRO CC[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001305879652 1069432627 /nfs/dbraw/zinc/43/26/27/1069432627.db2.gz ACQOFXAAKIRMHB-QHCPKHFHSA-N 1 0 472.590 3.094 20 5 JGBDRO CC[C@@]1(C)CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001305882474 1069436262 /nfs/dbraw/zinc/43/62/62/1069436262.db2.gz OXTKQWAMBYRWBZ-URXFXBBRSA-N 1 0 472.590 3.096 20 5 JGBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298615226 1064387149 /nfs/dbraw/zinc/38/71/49/1064387149.db2.gz NDQXZKMUEYVLMS-HXUWFJFHSA-N 1 0 456.591 3.491 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298621748 1064393587 /nfs/dbraw/zinc/39/35/87/1064393587.db2.gz SFNLJWOMDPFIAH-AZUAARDMSA-N 1 0 483.598 3.181 20 5 JGBDRO COC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001301358776 1066148905 /nfs/dbraw/zinc/14/89/05/1066148905.db2.gz DJJLRJJDBDVCDK-JQVVWYNYSA-N 1 0 472.590 3.073 20 5 JGBDRO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)CNc3ccccc3[N+](=O)[O-])c2)CC1 ZINC001301978185 1066283548 /nfs/dbraw/zinc/28/35/48/1066283548.db2.gz RMESOTSHWWFTSX-UHFFFAOYSA-N 1 0 456.503 3.098 20 5 JGBDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301818312 1066777961 /nfs/dbraw/zinc/77/79/61/1066777961.db2.gz KKRNUGXIBAFOEL-GHTZIAJQSA-N 1 0 469.590 3.079 20 5 JGBDRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCC2)C1 ZINC001302252381 1066789905 /nfs/dbraw/zinc/78/99/05/1066789905.db2.gz CRHWSQWHSMJPDR-GOSISDBHSA-N 1 0 485.589 3.300 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCSC2)C[C@@H]1C ZINC001301886310 1066897243 /nfs/dbraw/zinc/89/72/43/1066897243.db2.gz VBFQXWZMFCRSFD-ROUUACIJSA-N 1 0 460.604 3.153 20 5 JGBDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001302410181 1066993942 /nfs/dbraw/zinc/99/39/42/1066993942.db2.gz RCJGWQMWAKFRLO-LJQANCHMSA-N 1 0 469.590 3.079 20 5 JGBDRO CC(C)C(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001302421041 1067006599 /nfs/dbraw/zinc/00/65/99/1067006599.db2.gz ITTJAIBYVSWJIZ-UHFFFAOYSA-N 1 0 483.617 3.469 20 5 JGBDRO Cc1n[nH]cc1CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001304062014 1067104971 /nfs/dbraw/zinc/10/49/71/1067104971.db2.gz QEIUCPQSWJGTMZ-UHFFFAOYSA-N 1 0 452.563 3.296 20 5 JGBDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC001302513577 1067128211 /nfs/dbraw/zinc/12/82/11/1067128211.db2.gz KBDLGFWTBSGCQO-YADHBBJMSA-N 1 0 472.590 3.215 20 5 JGBDRO CS[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001302548043 1067184021 /nfs/dbraw/zinc/18/40/21/1067184021.db2.gz MATNQNNKYBVBQK-QGZVFWFLSA-N 1 0 460.604 3.153 20 5 JGBDRO CS[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001302549457 1067185903 /nfs/dbraw/zinc/18/59/03/1067185903.db2.gz YJPJFSVOTLZNOX-KRWDZBQOSA-N 1 0 470.603 3.051 20 5 JGBDRO Cc1cc(C)nc(N2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001304192064 1067242673 /nfs/dbraw/zinc/24/26/73/1067242673.db2.gz XDXPZLTZYFFPFH-UHFFFAOYSA-N 1 0 493.616 3.317 20 5 JGBDRO CSC1(Cn2c(CC(C)C)nnc2N2CCC(n3cc([N+](=O)[O-])cn3)CC2)CC[NH+](C)CC1 ZINC001302609932 1067243567 /nfs/dbraw/zinc/24/35/67/1067243567.db2.gz FJQYDMGXQGYSGS-UHFFFAOYSA-N 1 0 476.651 3.250 20 5 JGBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001302683217 1067308862 /nfs/dbraw/zinc/30/88/62/1067308862.db2.gz VEDKFCPDUZKERO-NRFANRHFSA-N 1 0 482.564 3.473 20 5 JGBDRO CC(C)c1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001302683642 1067309443 /nfs/dbraw/zinc/30/94/43/1067309443.db2.gz YPAZXWWNTGIXCN-FQEVSTJZSA-N 1 0 456.595 3.152 20 5 JGBDRO CSC[C@@H]1CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302696893 1067322531 /nfs/dbraw/zinc/32/25/31/1067322531.db2.gz QPPRPGVXXJXTMX-FQEVSTJZSA-N 1 0 473.647 3.211 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC001302809140 1067397798 /nfs/dbraw/zinc/39/77/98/1067397798.db2.gz UVIRRMUWKIRQKK-FCHUYYIVSA-N 1 0 482.589 3.141 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[NH+](C)C ZINC001302811189 1067399051 /nfs/dbraw/zinc/39/90/51/1067399051.db2.gz FFRVJKMHXHLCBT-QFIPXVFZSA-N 1 0 480.617 3.495 20 5 JGBDRO CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001303072844 1067607348 /nfs/dbraw/zinc/60/73/48/1067607348.db2.gz GMXRPAHIUIXGJR-QHCPKHFHSA-N 1 0 485.633 3.131 20 5 JGBDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303176604 1067709189 /nfs/dbraw/zinc/70/91/89/1067709189.db2.gz QCBMZARKTJBJSR-OAQYLSRUSA-N 1 0 497.644 3.469 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001303277314 1067805202 /nfs/dbraw/zinc/80/52/02/1067805202.db2.gz OYXMZTXGXPADQB-UHFFFAOYSA-N 1 0 458.592 3.217 20 5 JGBDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCOCC(F)F)CC1 ZINC001303307640 1067835636 /nfs/dbraw/zinc/83/56/36/1067835636.db2.gz GAEFSDXZTZVQDX-UHFFFAOYSA-N 1 0 452.506 3.446 20 5 JGBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCOCC1 ZINC001303392730 1067921527 /nfs/dbraw/zinc/92/15/27/1067921527.db2.gz GWAHCIRAYCUBDJ-UHFFFAOYSA-N 1 0 450.898 3.381 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001304925460 1067969118 /nfs/dbraw/zinc/96/91/18/1067969118.db2.gz MDEWAQYWBLLDOX-ZCNNSNEGSA-N 1 0 483.617 3.278 20 5 JGBDRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC[NH+]2CCCCC2)CCOC1 ZINC001303482457 1068004536 /nfs/dbraw/zinc/00/45/36/1068004536.db2.gz ZRHIQEUYZCJYCL-DEOSSOPVSA-N 1 0 472.590 3.349 20 5 JGBDRO C[C@H]1CCCC[N@@H+]1CCCn1c(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nnc1C(C)(C)C ZINC001305020355 1068067903 /nfs/dbraw/zinc/06/79/03/1068067903.db2.gz OJGHLZZXBHVRHC-IBGZPJMESA-N 1 0 470.622 3.470 20 5 JGBDRO CC(C)OCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001303546998 1068074204 /nfs/dbraw/zinc/07/42/04/1068074204.db2.gz QQORDPMARWTOSH-LJQANCHMSA-N 1 0 472.590 3.358 20 5 JGBDRO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001305023641 1068077071 /nfs/dbraw/zinc/07/70/71/1068077071.db2.gz CLHWWKSQQBWQEU-ROUUACIJSA-N 1 0 450.547 3.400 20 5 JGBDRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001305023640 1068077587 /nfs/dbraw/zinc/07/75/87/1068077587.db2.gz CLHWWKSQQBWQEU-QZTJIDSGSA-N 1 0 450.547 3.400 20 5 JGBDRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001305023642 1068077643 /nfs/dbraw/zinc/07/76/43/1068077643.db2.gz CLHWWKSQQBWQEU-ZWKOTPCHSA-N 1 0 450.547 3.400 20 5 JGBDRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001305025288 1068079980 /nfs/dbraw/zinc/07/99/80/1068079980.db2.gz LZCAHYXVIUPNMP-RTBURBONSA-N 1 0 466.590 3.386 20 5 JGBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109134 1068179113 /nfs/dbraw/zinc/17/91/13/1068179113.db2.gz RMLXSHBMBXSGMO-SVFBPWRDSA-N 1 0 451.527 3.133 20 5 JGBDRO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303697557 1068240951 /nfs/dbraw/zinc/24/09/51/1068240951.db2.gz YKKCCAGPVQNAEK-MSOLQXFVSA-N 1 0 487.605 3.497 20 5 JGBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)OC(C)(C)C ZINC001305219153 1068356213 /nfs/dbraw/zinc/35/62/13/1068356213.db2.gz AYJCXJJSUGNBIF-VQIMIIECSA-N 1 0 471.562 3.051 20 5 JGBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001305607814 1068877309 /nfs/dbraw/zinc/87/73/09/1068877309.db2.gz OIOIYIANYIEOEO-GOSISDBHSA-N 1 0 471.606 3.278 20 5 JGBDRO CCC(CC)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305702236 1069083987 /nfs/dbraw/zinc/08/39/87/1069083987.db2.gz AHTVOXZYECIOCJ-RTWAWAEBSA-N 1 0 492.646 3.233 20 5 JGBDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164620692 719008334 /nfs/dbraw/zinc/00/83/34/719008334.db2.gz ZEZWBFXJNQJDDP-KUHUBIRLSA-N 1 0 458.893 3.337 20 5 JGBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC2)CC1 ZINC001164616430 719034002 /nfs/dbraw/zinc/03/40/02/719034002.db2.gz BUGUZKUBUOAQMU-UHFFFAOYSA-N 1 0 457.506 3.435 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164822556 720309373 /nfs/dbraw/zinc/30/93/73/720309373.db2.gz MYUZYOLSGQYFCG-IRXDYDNUSA-N 1 0 457.909 3.100 20 5 JGBDRO COC(=O)c1nc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164841980 720672803 /nfs/dbraw/zinc/67/28/03/720672803.db2.gz RJSNVEDIBCQGJY-MRXNPFEDSA-N 1 0 475.933 3.085 20 5 JGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844450 720700562 /nfs/dbraw/zinc/70/05/62/720700562.db2.gz SCTQJPKXABWGTC-FQEVSTJZSA-N 1 0 454.527 3.426 20 5 JGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744457 720819802 /nfs/dbraw/zinc/81/98/02/720819802.db2.gz UHCBUBQQRPQSQK-SQWLQELKSA-N 1 0 452.346 3.268 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)ccc1F ZINC001164753574 720854763 /nfs/dbraw/zinc/85/47/63/720854763.db2.gz YDVYKTAHZQSFIY-WOIUINJBSA-N 1 0 478.532 3.162 20 5 JGBDRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1[N+](=O)[O-] ZINC001164754809 720870623 /nfs/dbraw/zinc/87/06/23/720870623.db2.gz SOFKTCQWYMKGQB-CVDCTZTESA-N 1 0 472.977 3.497 20 5 JGBDRO COc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751609 720886995 /nfs/dbraw/zinc/88/69/95/720886995.db2.gz CQHWRDCSRAGQAN-GBXCKJPGSA-N 1 0 453.543 3.149 20 5 JGBDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)CC[C@@H]2C1 ZINC001164863649 720891803 /nfs/dbraw/zinc/89/18/03/720891803.db2.gz SXJCRDXTXDIONB-UZLBHIALSA-N 1 0 497.930 3.424 20 5 JGBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164757189 720892591 /nfs/dbraw/zinc/89/25/91/720892591.db2.gz UFCAAZZBBBGGPK-WMZHIEFXSA-N 1 0 473.961 3.032 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164788569 721461320 /nfs/dbraw/zinc/46/13/20/721461320.db2.gz UFINMWWXYMTMOP-INIZCTEOSA-N 1 0 486.038 3.494 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792541 721490651 /nfs/dbraw/zinc/49/06/51/721490651.db2.gz KPJKVNGRZQSIBL-UHFFFAOYSA-N 1 0 474.949 3.491 20 5 JGBDRO CCOC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-] ZINC001164912812 721733341 /nfs/dbraw/zinc/73/33/41/721733341.db2.gz QLIFLBGVDHSVNG-OAQYLSRUSA-N 1 0 461.469 3.299 20 5 JGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023083 721842437 /nfs/dbraw/zinc/84/24/37/721842437.db2.gz XAWDVFGALYWSLE-UHFFFAOYSA-N 1 0 458.515 3.285 20 5 JGBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164930193 721890050 /nfs/dbraw/zinc/89/00/50/721890050.db2.gz CLWYXRSFKIXLJZ-MOPGFXCFSA-N 1 0 466.920 3.465 20 5 JGBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001164930199 721890053 /nfs/dbraw/zinc/89/00/53/721890053.db2.gz CLWYXRSFKIXLJZ-RTBURBONSA-N 1 0 466.920 3.465 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164958813 722053158 /nfs/dbraw/zinc/05/31/58/722053158.db2.gz GUAQWVKVJQGCCO-UHFFFAOYSA-N 1 0 489.960 3.334 20 5 JGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164978275 722108201 /nfs/dbraw/zinc/10/82/01/722108201.db2.gz ODTXLURHKGTYJK-OXQOHEQNSA-N 1 0 454.918 3.314 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164977316 722109694 /nfs/dbraw/zinc/10/96/94/722109694.db2.gz MNDVTFUSJUKICW-QAPCUYQASA-N 1 0 453.877 3.310 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)C1CCCCC1 ZINC001298619096 1064390430 /nfs/dbraw/zinc/39/04/30/1064390430.db2.gz SESHLGNSIMGVER-UHFFFAOYSA-N 1 0 483.617 3.366 20 5 JGBDRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001299005477 1064787395 /nfs/dbraw/zinc/78/73/95/1064787395.db2.gz JBGYSTJIBMRCFH-DFBJGRDBSA-N 1 0 483.617 3.470 20 5 JGBDRO COCCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001301684378 1066567532 /nfs/dbraw/zinc/56/75/32/1066567532.db2.gz KZFCWAVHPMURLV-UHFFFAOYSA-N 1 0 451.531 3.248 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@@H](C)C1 ZINC001301720348 1066622876 /nfs/dbraw/zinc/62/28/76/1066622876.db2.gz CCMGTWYFBGKQJD-MHPIHPPYSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC001301721303 1066626390 /nfs/dbraw/zinc/62/63/90/1066626390.db2.gz KGPWAVZWTUGFLU-PZJWPPBQSA-N 1 0 483.617 3.278 20 5 JGBDRO CSc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC001302245675 1066775829 /nfs/dbraw/zinc/77/58/29/1066775829.db2.gz RQBLGIBSDWMIBV-INIZCTEOSA-N 1 0 457.552 3.123 20 5 JGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001301878147 1066881285 /nfs/dbraw/zinc/88/12/85/1066881285.db2.gz BLXRWDRMSAMMTD-NEWSRXKRSA-N 1 0 456.568 3.288 20 5 JGBDRO COCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001301885270 1066894154 /nfs/dbraw/zinc/89/41/54/1066894154.db2.gz HUMMLRORKJIASC-FQEVSTJZSA-N 1 0 485.633 3.132 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCSC2)C[C@H]1C ZINC001301886308 1066897134 /nfs/dbraw/zinc/89/71/34/1066897134.db2.gz VBFQXWZMFCRSFD-QZTJIDSGSA-N 1 0 460.604 3.153 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC(F)(F)C2)C[C@H]1C ZINC001301886338 1066897207 /nfs/dbraw/zinc/89/72/07/1066897207.db2.gz VPGGKGJTRMETNH-OAHLLOKOSA-N 1 0 450.490 3.056 20 5 JGBDRO CO[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1OC ZINC001302410025 1066993535 /nfs/dbraw/zinc/99/35/35/1066993535.db2.gz OKWORACETMGBHG-QIJUGHKUSA-N 1 0 472.590 3.071 20 5 JGBDRO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC001302476291 1067078501 /nfs/dbraw/zinc/07/85/01/1067078501.db2.gz KFIJUBQZGAQQJZ-INIZCTEOSA-N 1 0 450.486 3.146 20 5 JGBDRO Cc1ncsc1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001304080021 1067125252 /nfs/dbraw/zinc/12/52/52/1067125252.db2.gz WLUBTMXOGMLPIO-MRXNPFEDSA-N 1 0 471.587 3.223 20 5 JGBDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Cn2ccnn2)CC1)[NH+](C)C ZINC001302808556 1067396939 /nfs/dbraw/zinc/39/69/39/1067396939.db2.gz QGBFGCXPMUFWMB-JOCHJYFZSA-N 1 0 481.605 3.338 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1)[NH+](C)C ZINC001302809365 1067398138 /nfs/dbraw/zinc/39/81/38/1067398138.db2.gz VXAGVHZEZYCVRV-YADHBBJMSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302950580 1067524290 /nfs/dbraw/zinc/52/42/90/1067524290.db2.gz ZLOWVRAILFDQBD-HXUWFJFHSA-N 1 0 470.622 3.228 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2CC(F)(F)Br)c1 ZINC001303134888 1067674459 /nfs/dbraw/zinc/67/44/59/1067674459.db2.gz DVZYAPGOMMWQHO-UHFFFAOYSA-N 1 0 471.306 3.373 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@H]2CCCO2)c1 ZINC001303135902 1067676836 /nfs/dbraw/zinc/67/68/36/1067676836.db2.gz ZXCKCESEWXDUIU-LJQANCHMSA-N 1 0 498.506 3.123 20 5 JGBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303176602 1067709280 /nfs/dbraw/zinc/70/92/80/1067709280.db2.gz QCBMZARKTJBJSR-NRFANRHFSA-N 1 0 497.644 3.469 20 5 JGBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCC2)[C@H](C)C1=O ZINC001303185337 1067720303 /nfs/dbraw/zinc/72/03/03/1067720303.db2.gz ZFGUANQIVKSLSY-GOSISDBHSA-N 1 0 469.590 3.031 20 5 JGBDRO CC(C)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCC2)[C@@H](C)C1=O ZINC001303185338 1067720310 /nfs/dbraw/zinc/72/03/10/1067720310.db2.gz ZFGUANQIVKSLSY-SFHVURJKSA-N 1 0 469.590 3.031 20 5 JGBDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([S@](C)=O)CC2)CC1 ZINC001303256684 1067783856 /nfs/dbraw/zinc/78/38/56/1067783856.db2.gz OMPLKQRXLQBPNI-XIFFEERXSA-N 1 0 474.631 3.321 20 5 JGBDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001304720617 1067791696 /nfs/dbraw/zinc/79/16/96/1067791696.db2.gz RMXHFYSGMOLJOH-UHFFFAOYSA-N 1 0 496.616 3.075 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001303275935 1067803481 /nfs/dbraw/zinc/80/34/81/1067803481.db2.gz CSDWJFUAFNBYND-UHFFFAOYSA-N 1 0 466.590 3.350 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304911870 1067955658 /nfs/dbraw/zinc/95/56/58/1067955658.db2.gz NFLGIOCJJOMARD-HDICACEKSA-N 1 0 492.646 3.091 20 5 JGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304911872 1067955711 /nfs/dbraw/zinc/95/57/11/1067955711.db2.gz NFLGIOCJJOMARD-ROUUACIJSA-N 1 0 492.646 3.091 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001304926519 1067970391 /nfs/dbraw/zinc/97/03/91/1067970391.db2.gz RQFCOHMEWSGEHI-ZVDOUQERSA-N 1 0 483.617 3.184 20 5 JGBDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001305058290 1068121259 /nfs/dbraw/zinc/12/12/59/1068121259.db2.gz GVOLAGOFAQBXBH-SFHVURJKSA-N 1 0 469.590 3.032 20 5 JGBDRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC001303750586 1068310491 /nfs/dbraw/zinc/31/04/91/1068310491.db2.gz CQVAVAGOHHQORB-IBGZPJMESA-N 1 0 466.590 3.388 20 5 JGBDRO C[C@@H](Cn1c(C2CCCC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC001303758957 1068323103 /nfs/dbraw/zinc/32/31/03/1068323103.db2.gz LOSMNNWYKOAUBN-LJQANCHMSA-N 1 0 456.591 3.491 20 5 JGBDRO C[C@@H](N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CC=CCC2)CC1)C(F)(F)F ZINC001303788134 1068369606 /nfs/dbraw/zinc/36/96/06/1068369606.db2.gz GGJRVRHNELWOLN-QGZVFWFLSA-N 1 0 479.507 3.188 20 5 JGBDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCCCC2)C1 ZINC001305263431 1068437243 /nfs/dbraw/zinc/43/72/43/1068437243.db2.gz MDDNCDXYUHYDSN-HXUWFJFHSA-N 1 0 469.590 3.224 20 5 JGBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001305608271 1068878825 /nfs/dbraw/zinc/87/88/25/1068878825.db2.gz QIUYLDLBPOCNGN-WIYYLYMNSA-N 1 0 469.590 3.175 20 5 JGBDRO CCC(CC)NC(=O)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001305762551 1069231504 /nfs/dbraw/zinc/23/15/04/1069231504.db2.gz UAOBDRLTPUNCAB-NRFANRHFSA-N 1 0 469.590 3.152 20 5 JGBDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164620352 719006989 /nfs/dbraw/zinc/00/69/89/719006989.db2.gz YMUKMDPHGJKHSS-KXBFYZLASA-N 1 0 458.893 3.337 20 5 JGBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1[N+](=O)[O-] ZINC001164629035 719114345 /nfs/dbraw/zinc/11/43/45/719114345.db2.gz QGLYHSXFWDZJCG-PZJWPPBQSA-N 1 0 496.564 3.300 20 5 JGBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164679728 719646025 /nfs/dbraw/zinc/64/60/25/719646025.db2.gz KPSJSQIIQSZZIV-UHFFFAOYSA-N 1 0 495.613 3.133 20 5 JGBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)ncc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164683496 719657445 /nfs/dbraw/zinc/65/74/45/719657445.db2.gz VOGOHTNFZCAUKF-MRXNPFEDSA-N 1 0 472.977 3.132 20 5 JGBDRO COc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001164681885 719661718 /nfs/dbraw/zinc/66/17/18/719661718.db2.gz RWLUDQUQSPNMHP-SFHVURJKSA-N 1 0 467.570 3.092 20 5 JGBDRO CCOc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC001164680103 719674145 /nfs/dbraw/zinc/67/41/45/719674145.db2.gz CKAACPVQMQMCPL-IBGZPJMESA-N 1 0 481.597 3.482 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001164825199 720307760 /nfs/dbraw/zinc/30/77/60/720307760.db2.gz STNKXZUJDWJWHV-ROUUACIJSA-N 1 0 458.950 3.103 20 5 JGBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164835367 720554585 /nfs/dbraw/zinc/55/45/85/720554585.db2.gz GYXBYDPQUGXERW-SOUVJXGZSA-N 1 0 451.984 3.334 20 5 JGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844453 720700397 /nfs/dbraw/zinc/70/03/97/720700397.db2.gz SCTQJPKXABWGTC-HXUWFJFHSA-N 1 0 454.527 3.426 20 5 JGBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cnc1Cl ZINC001164748190 720811471 /nfs/dbraw/zinc/81/14/71/720811471.db2.gz PWLOPANAJLPSAA-USXIJHARSA-N 1 0 467.908 3.159 20 5 JGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737734 720820164 /nfs/dbraw/zinc/82/01/64/720820164.db2.gz CIFQDYFKEDYSEV-OXFYSEKESA-N 1 0 468.949 3.162 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164740159 720822140 /nfs/dbraw/zinc/82/21/40/720822140.db2.gz JFKRANVHCFUSDC-UWWQBHOKSA-N 1 0 467.908 3.159 20 5 JGBDRO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164746565 720850900 /nfs/dbraw/zinc/85/09/00/720850900.db2.gz OLPGKQHVCUYVGB-YMPZKCBVSA-N 1 0 474.569 3.331 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164753845 720860687 /nfs/dbraw/zinc/86/06/87/720860687.db2.gz YTRJNMOEBRWPFG-HHXXYDBFSA-N 1 0 468.949 3.162 20 5 JGBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751563 720881425 /nfs/dbraw/zinc/88/14/25/720881425.db2.gz LALSOBRFMZCCTB-AUSIDOKSSA-N 1 0 468.514 3.048 20 5 JGBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751571 720881617 /nfs/dbraw/zinc/88/16/17/720881617.db2.gz LALSOBRFMZCCTB-XXBNENTESA-N 1 0 468.514 3.048 20 5 JGBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C[C@H]3C2)cn1 ZINC001164768914 721228862 /nfs/dbraw/zinc/22/88/62/721228862.db2.gz YMXAHWUETTZHSE-ZWKOTPCHSA-N 1 0 453.934 3.397 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164785271 721452666 /nfs/dbraw/zinc/45/26/66/721452666.db2.gz IALHLYFKUSGQOP-INIZCTEOSA-N 1 0 486.038 3.494 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164787700 721453817 /nfs/dbraw/zinc/45/38/17/721453817.db2.gz PMVUKDOUGZNKQW-QGZVFWFLSA-N 1 0 453.971 3.081 20 5 JGBDRO O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164982258 722101457 /nfs/dbraw/zinc/10/14/57/722101457.db2.gz NCXGTOKVZLOWGN-CRAIPNDOSA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164986221 722106925 /nfs/dbraw/zinc/10/69/25/722106925.db2.gz YKCRCPUJOBMMQQ-WBVHZDCISA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971070 722156877 /nfs/dbraw/zinc/15/68/77/722156877.db2.gz AIBQTPGLVFMMQB-UZLBHIALSA-N 1 0 454.918 3.314 20 5 JGBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccn2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298615900 1064387139 /nfs/dbraw/zinc/38/71/39/1064387139.db2.gz YAUHGZYQDVAZRZ-HSZRJFAPSA-N 1 0 467.599 3.365 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCOC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001298621797 1064394395 /nfs/dbraw/zinc/39/43/95/1064394395.db2.gz TVTRVLWJPWJTJF-AZUAARDMSA-N 1 0 454.531 3.265 20 5 JGBDRO C[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CCCC1 ZINC001298698530 1064502032 /nfs/dbraw/zinc/50/20/32/1064502032.db2.gz RQRWZFLYKVHCOR-SFHVURJKSA-N 1 0 468.480 3.495 20 5 JGBDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001299008332 1064792461 /nfs/dbraw/zinc/79/24/61/1064792461.db2.gz YRFRYUUESGARJU-XHNVNVPESA-N 1 0 483.617 3.184 20 5 JGBDRO CO[C@@]1(C)CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001299750279 1064950014 /nfs/dbraw/zinc/95/00/14/1064950014.db2.gz NFBTXVZIPHZYLY-URXFXBBRSA-N 1 0 472.590 3.096 20 5 JGBDRO COCC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001301296726 1066101764 /nfs/dbraw/zinc/10/17/64/1066101764.db2.gz AWDIWWJSJIQDFV-RTBURBONSA-N 1 0 472.590 3.215 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC001301721301 1066626339 /nfs/dbraw/zinc/62/63/39/1066626339.db2.gz KGPWAVZWTUGFLU-FPOVZHCZSA-N 1 0 483.617 3.278 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccncc2Cl)C[C@H]1C ZINC001301885231 1066894212 /nfs/dbraw/zinc/89/42/12/1066894212.db2.gz GWZNLERYMRUYOB-MRXNPFEDSA-N 1 0 471.949 3.107 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCSC2)C[C@H]1C ZINC001301886306 1066896718 /nfs/dbraw/zinc/89/67/18/1066896718.db2.gz VBFQXWZMFCRSFD-MSOLQXFVSA-N 1 0 460.604 3.153 20 5 JGBDRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001302410179 1066994008 /nfs/dbraw/zinc/99/40/08/1066994008.db2.gz RCJGWQMWAKFRLO-IBGZPJMESA-N 1 0 469.590 3.079 20 5 JGBDRO C[S@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001302506528 1067109381 /nfs/dbraw/zinc/10/93/81/1067109381.db2.gz QGVBUWHUEAFHGF-XIFFEERXSA-N 1 0 474.631 3.465 20 5 JGBDRO CC(C)Cc1nnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001302900805 1067484005 /nfs/dbraw/zinc/48/40/05/1067484005.db2.gz FBSXICFWCYNIOI-UHFFFAOYSA-N 1 0 499.660 3.459 20 5 JGBDRO CC(C)Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302950579 1067524311 /nfs/dbraw/zinc/52/43/11/1067524311.db2.gz ZLOWVRAILFDQBD-FQEVSTJZSA-N 1 0 470.622 3.228 20 5 JGBDRO Cc1csc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[NH+](CCOC(C)C)CC2)n1 ZINC001304631405 1067701373 /nfs/dbraw/zinc/70/13/73/1067701373.db2.gz NGUBVQCLHSBFPL-UHFFFAOYSA-N 1 0 471.587 3.214 20 5 JGBDRO Cc1nc(Cc2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC2(O)CC[NH+](C(C)C)CC2)cs1 ZINC001304654643 1067722876 /nfs/dbraw/zinc/72/28/76/1067722876.db2.gz NQCMVFRZWJRSRT-UHFFFAOYSA-N 1 0 499.641 3.414 20 5 JGBDRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001303224745 1067761620 /nfs/dbraw/zinc/76/16/20/1067761620.db2.gz VHPBPCASAFDOFP-XZOQPEGZSA-N 1 0 486.617 3.461 20 5 JGBDRO CC(C)[NH+](CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2cnccn2)CC1)C(C)C ZINC001303291065 1067815138 /nfs/dbraw/zinc/81/51/38/1067815138.db2.gz JSBCPBVWUBSENG-UHFFFAOYSA-N 1 0 493.616 3.479 20 5 JGBDRO CC(C)[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C ZINC001303292922 1067818653 /nfs/dbraw/zinc/81/86/53/1067818653.db2.gz VLHVTHNDHTTWJB-UHFFFAOYSA-N 1 0 483.617 3.421 20 5 JGBDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303302076 1067826709 /nfs/dbraw/zinc/82/67/09/1067826709.db2.gz AUHCRNQWGUJTNG-FQEVSTJZSA-N 1 0 483.617 3.222 20 5 JGBDRO CC(C)NC(=O)c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC1([NH+](C)C)CCCCC1 ZINC001303377109 1067907205 /nfs/dbraw/zinc/90/72/05/1067907205.db2.gz BYUUGSXUCWSZSO-UHFFFAOYSA-N 1 0 469.590 3.152 20 5 JGBDRO CC(C)[NH+](CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C)C(C)C ZINC001304904471 1067949061 /nfs/dbraw/zinc/94/90/61/1067949061.db2.gz UWTVYJZNZVNCGX-SFHVURJKSA-N 1 0 457.579 3.029 20 5 JGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304910062 1067953029 /nfs/dbraw/zinc/95/30/29/1067953029.db2.gz HIPZERNHUPDGET-NSHGMRRFSA-N 1 0 483.617 3.312 20 5 JGBDRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccccc3[N+](=O)[O-])n2CC[NH+]2CCCCC2)CCOC1 ZINC001303482458 1068005123 /nfs/dbraw/zinc/00/51/23/1068005123.db2.gz ZRHIQEUYZCJYCL-XMMPIXPASA-N 1 0 472.590 3.349 20 5 JGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001305021382 1068070524 /nfs/dbraw/zinc/07/05/24/1068070524.db2.gz VXALQSCRSIDOTO-HXUWFJFHSA-N 1 0 497.644 3.498 20 5 JGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001305023148 1068075515 /nfs/dbraw/zinc/07/55/15/1068075515.db2.gz QJOMJXAXEZIMBN-QZTJIDSGSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305023475 1068076794 /nfs/dbraw/zinc/07/67/94/1068076794.db2.gz SGGBRWFWDKYMIB-ZWKOTPCHSA-N 1 0 469.590 3.031 20 5 JGBDRO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001303743382 1068302516 /nfs/dbraw/zinc/30/25/16/1068302516.db2.gz AVJCDYAUTLDJIT-SFHVURJKSA-N 1 0 450.547 3.054 20 5 JGBDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(Nc2cccnn2)CC1 ZINC001305608092 1068877546 /nfs/dbraw/zinc/87/75/46/1068877546.db2.gz OOSYJMKIRUMXPI-GOSISDBHSA-N 1 0 479.589 3.455 20 5 JGBDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001305608270 1068878722 /nfs/dbraw/zinc/87/87/22/1068878722.db2.gz QIUYLDLBPOCNGN-RXVVDRJESA-N 1 0 469.590 3.175 20 5 JGBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001305702229 1069083947 /nfs/dbraw/zinc/08/39/47/1069083947.db2.gz AHTVOXZYECIOCJ-LEWJYISDSA-N 1 0 492.646 3.233 20 5 JGBDRO O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)cnc2Cl)c1 ZINC001164424687 718919894 /nfs/dbraw/zinc/91/98/94/718919894.db2.gz OIUONVAGWXLTFE-HXUWFJFHSA-N 1 0 468.888 3.440 20 5 JGBDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164620696 719008322 /nfs/dbraw/zinc/00/83/22/719008322.db2.gz ZEZWBFXJNQJDDP-LIRRHRJNSA-N 1 0 458.893 3.337 20 5 JGBDRO COc1cc(C)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1[N+](=O)[O-] ZINC001164680498 719667082 /nfs/dbraw/zinc/66/70/82/719667082.db2.gz GOZDXNXNERMKHT-IBGZPJMESA-N 1 0 481.597 3.400 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1 ZINC001164821370 720349023 /nfs/dbraw/zinc/34/90/23/720349023.db2.gz ACNWRPDEDCHMAW-SFTDATJTSA-N 1 0 468.533 3.102 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164839407 720514214 /nfs/dbraw/zinc/51/42/14/720514214.db2.gz UBICMPKUVJTNCP-LZLYRXPVSA-N 1 0 476.965 3.394 20 5 JGBDRO COC(=O)c1nc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-] ZINC001164841978 720673001 /nfs/dbraw/zinc/67/30/01/720673001.db2.gz RJSNVEDIBCQGJY-INIZCTEOSA-N 1 0 475.933 3.085 20 5 JGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744456 720819550 /nfs/dbraw/zinc/81/95/50/720819550.db2.gz UHCBUBQQRPQSQK-OFQRWUPVSA-N 1 0 452.346 3.268 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)ccc1F ZINC001164753572 720854531 /nfs/dbraw/zinc/85/45/31/720854531.db2.gz YDVYKTAHZQSFIY-CNNODRBYSA-N 1 0 478.532 3.162 20 5 JGBDRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-] ZINC001164755326 720878792 /nfs/dbraw/zinc/87/87/92/720878792.db2.gz WQMCHDULFLTJQD-YKSBVNFPSA-N 1 0 453.543 3.149 20 5 JGBDRO COc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1 ZINC001164751615 720886857 /nfs/dbraw/zinc/88/68/57/720886857.db2.gz CQHWRDCSRAGQAN-YKSBVNFPSA-N 1 0 453.543 3.149 20 5 JGBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(Cl)c([N+](=O)[O-])c5)nn4)C3)O2)CC1 ZINC001164899792 721444236 /nfs/dbraw/zinc/44/42/36/721444236.db2.gz ZBRUOMIASCOBLM-YADARESESA-N 1 0 487.004 3.471 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164783976 721452524 /nfs/dbraw/zinc/45/25/24/721452524.db2.gz DBDDAJWDXQGCBG-HXUWFJFHSA-N 1 0 455.559 3.272 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164787699 721453077 /nfs/dbraw/zinc/45/30/77/721453077.db2.gz PMVUKDOUGZNKQW-KRWDZBQOSA-N 1 0 453.971 3.081 20 5 JGBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907060 721714564 /nfs/dbraw/zinc/71/45/64/721714564.db2.gz PZNAEMZPEFTZFJ-NRFANRHFSA-N 1 0 461.469 3.299 20 5 JGBDRO CCOC(=O)C(C(=O)OCC)c1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165050748 721979442 /nfs/dbraw/zinc/97/94/42/721979442.db2.gz WOMBRGHRSJWTJV-KRWDZBQOSA-N 1 0 462.547 3.044 20 5 JGBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164986214 722106861 /nfs/dbraw/zinc/10/68/61/722106861.db2.gz YKCRCPUJOBMMQQ-NVXWUHKLSA-N 1 0 453.877 3.310 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971384 722108255 /nfs/dbraw/zinc/10/82/55/722108255.db2.gz BUGSOJJCJZNSHO-IIBYNOLFSA-N 1 0 454.918 3.314 20 5 JGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971385 722108438 /nfs/dbraw/zinc/10/84/38/722108438.db2.gz BUGSOJJCJZNSHO-KKSFZXQISA-N 1 0 454.918 3.314 20 5 JGBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164977307 722109662 /nfs/dbraw/zinc/10/96/62/722109662.db2.gz MNDVTFUSJUKICW-CRAIPNDOSA-N 1 0 453.877 3.310 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1[N+](=O)[O-] ZINC001164984648 722133288 /nfs/dbraw/zinc/13/32/88/722133288.db2.gz YFLWSYQIJWTSEK-URXFXBBRSA-N 1 0 460.538 3.483 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)ccc1F ZINC001164974236 722151275 /nfs/dbraw/zinc/15/12/75/722151275.db2.gz CPLJZBDLUCRFTG-XXBNENTESA-N 1 0 464.501 3.313 20 5 JGBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001298365130 1064221212 /nfs/dbraw/zinc/22/12/12/1064221212.db2.gz PQZMOJBBQAXNCF-FQEVSTJZSA-N 1 0 458.563 3.175 20 5 JGBDRO CN(Cc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCOCC1 ZINC001298365131 1064221290 /nfs/dbraw/zinc/22/12/90/1064221290.db2.gz PQZMOJBBQAXNCF-HXUWFJFHSA-N 1 0 458.563 3.175 20 5 JGBDRO CN(CCc1ccccc1[N+](=O)[O-])c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001298621751 1064393362 /nfs/dbraw/zinc/39/33/62/1064393362.db2.gz SFNLJWOMDPFIAH-UYAOXDASSA-N 1 0 483.598 3.181 20 5 JGBDRO CN(CCn1cccn1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001298719483 1064529463 /nfs/dbraw/zinc/52/94/63/1064529463.db2.gz BSYYDJYDAAQVRR-FQEVSTJZSA-N 1 0 452.563 3.307 20 5 JGBDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001299005482 1064787937 /nfs/dbraw/zinc/78/79/37/1064787937.db2.gz JBGYSTJIBMRCFH-UQBPGWFLSA-N 1 0 483.617 3.470 20 5 JGBDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299008330 1064792596 /nfs/dbraw/zinc/79/25/96/1064792596.db2.gz YRFRYUUESGARJU-HHJKRLRDSA-N 1 0 483.617 3.184 20 5 JGBDRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001299071416 1064871259 /nfs/dbraw/zinc/87/12/59/1064871259.db2.gz DYDBXDQIRDDZBU-TZIWHRDSSA-N 1 0 483.617 3.470 20 5 JGBDRO COC[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001300959049 1065766281 /nfs/dbraw/zinc/76/62/81/1065766281.db2.gz QTTFQVOCZADVFT-HXUWFJFHSA-N 1 0 485.633 3.131 20 5 JGBDRO COCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301439878 1066245416 /nfs/dbraw/zinc/24/54/16/1066245416.db2.gz HRSCSHOUNFLIMA-DEOSSOPVSA-N 1 0 472.590 3.096 20 5 JGBDRO CC(=O)N1CCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001301695870 1066583588 /nfs/dbraw/zinc/58/35/88/1066583588.db2.gz HIDJYTTVRQFDMT-NRFANRHFSA-N 1 0 469.590 3.032 20 5 JGBDRO CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001301721305 1066626872 /nfs/dbraw/zinc/62/68/72/1066626872.db2.gz KGPWAVZWTUGFLU-TZIWHRDSSA-N 1 0 483.617 3.278 20 5 JGBDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2COCCO2)CC1 ZINC001302191167 1066673403 /nfs/dbraw/zinc/67/34/03/1066673403.db2.gz STXFSGXUXZXZPH-NRFANRHFSA-N 1 0 472.590 3.217 20 5 JGBDRO CC(=O)NC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001301837007 1066808407 /nfs/dbraw/zinc/80/84/07/1066808407.db2.gz WQLKYTJJQFWRIE-HXUWFJFHSA-N 1 0 483.598 3.323 20 5 JGBDRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CC(C)(C)C[NH+](C)C ZINC001302292363 1066872302 /nfs/dbraw/zinc/87/23/02/1066872302.db2.gz QJFZNQCLCVOUGB-RXVVDRJESA-N 1 0 472.590 3.061 20 5 JGBDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1C ZINC001301884830 1066893274 /nfs/dbraw/zinc/89/32/74/1066893274.db2.gz CYJOSIWCHJSNSO-FXAWDEMLSA-N 1 0 460.579 3.071 20 5 JGBDRO CC(C)(C)[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302320464 1066917771 /nfs/dbraw/zinc/91/77/71/1066917771.db2.gz ICHLPUMXEHKUCV-OGPYBGEISA-N 1 0 474.631 3.465 20 5 JGBDRO Cc1ccoc1C(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001304007054 1067049723 /nfs/dbraw/zinc/04/97/23/1067049723.db2.gz AWBLUPLSKORMFC-UHFFFAOYSA-N 1 0 495.584 3.353 20 5 JGBDRO CC(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC001302513575 1067128146 /nfs/dbraw/zinc/12/81/46/1067128146.db2.gz KBDLGFWTBSGCQO-VXKWHMMOSA-N 1 0 472.590 3.215 20 5 JGBDRO CS[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001302549458 1067185930 /nfs/dbraw/zinc/18/59/30/1067185930.db2.gz YJPJFSVOTLZNOX-QGZVFWFLSA-N 1 0 470.603 3.051 20 5 JGBDRO Cc1ccc(-c2nnc(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001304323014 1067370553 /nfs/dbraw/zinc/37/05/53/1067370553.db2.gz CYWAEKXEVRCJHJ-UHFFFAOYSA-N 1 0 468.562 3.207 20 5 JGBDRO CSCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302799869 1067388834 /nfs/dbraw/zinc/38/88/34/1067388834.db2.gz VYSYICKCWPUMOC-OAQYLSRUSA-N 1 0 473.647 3.211 20 5 JGBDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001302809579 1067398303 /nfs/dbraw/zinc/39/83/03/1067398303.db2.gz XCMUSNXYRAQZDR-FQEVSTJZSA-N 1 0 465.558 3.493 20 5 JGBDRO CC(C)C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1)[NH+](C)C ZINC001302820389 1067407830 /nfs/dbraw/zinc/40/78/30/1067407830.db2.gz PKXUEXOUFNYSTO-ICSRJNTNSA-N 1 0 474.610 3.095 20 5 JGBDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001303174589 1067707893 /nfs/dbraw/zinc/70/78/93/1067707893.db2.gz YYCROJWKRAULQK-IBGZPJMESA-N 1 0 483.617 3.255 20 5 JGBDRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001303224742 1067761627 /nfs/dbraw/zinc/76/16/27/1067761627.db2.gz VHPBPCASAFDOFP-DHIUTWEWSA-N 1 0 486.617 3.461 20 5 JGBDRO Cc1ncc(CN(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC001304691171 1067764478 /nfs/dbraw/zinc/76/44/78/1067764478.db2.gz UCHDCZBYACRTQK-UHFFFAOYSA-N 1 0 485.614 3.490 20 5 JGBDRO CC(C)[N@H+](C)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 ZINC001303261781 1067789005 /nfs/dbraw/zinc/78/90/05/1067789005.db2.gz WKMGNPSQZZAVIH-LJQANCHMSA-N 1 0 466.590 3.386 20 5 JGBDRO Cc1nn(C)c(C)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001304724267 1067795672 /nfs/dbraw/zinc/79/56/72/1067795672.db2.gz SSVOXRABUPDJRL-UHFFFAOYSA-N 1 0 452.563 3.172 20 5 JGBDRO CC(C)[N@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001303270375 1067799178 /nfs/dbraw/zinc/79/91/78/1067799178.db2.gz JFMIPVNJSNCVIQ-INIZCTEOSA-N 1 0 469.512 3.266 20 5 JGBDRO CC(C)[NH+]1CCC(O)(Cn2c(Cc3ccccn3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001303303047 1067828405 /nfs/dbraw/zinc/82/84/05/1067828405.db2.gz RMFLYNINTCAUQX-UHFFFAOYSA-N 1 0 493.612 3.086 20 5 JGBDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N(C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001303303169 1067828786 /nfs/dbraw/zinc/82/87/86/1067828786.db2.gz DERDRGADYIKRSY-IBGZPJMESA-N 1 0 464.574 3.443 20 5 JGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001304925459 1067969016 /nfs/dbraw/zinc/96/90/16/1067969016.db2.gz MDEWAQYWBLLDOX-VAMGGRTRSA-N 1 0 483.617 3.278 20 5 JGBDRO CC(C)OC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2CCCCC2)CCO1 ZINC001303532239 1068061533 /nfs/dbraw/zinc/06/15/33/1068061533.db2.gz YBDWNBJDLSCCBZ-QFIPXVFZSA-N 1 0 472.590 3.360 20 5 JGBDRO C[C@@H]1CCC[N@H+](CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001305048444 1068107852 /nfs/dbraw/zinc/10/78/52/1068107852.db2.gz GECPHBWUAYXWNT-OAQYLSRUSA-N 1 0 499.660 3.380 20 5 JGBDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305058516 1068121282 /nfs/dbraw/zinc/12/12/82/1068121282.db2.gz HJEPYTNHLDCARL-SJORKVTESA-N 1 0 481.523 3.410 20 5 JGBDRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001305068393 1068142361 /nfs/dbraw/zinc/14/23/61/1068142361.db2.gz WKXBHAIFHONHOW-FQEVSTJZSA-N 1 0 483.617 3.108 20 5 JGBDRO C[C@@H](CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[NH+]1CCC(O)CC1)c1nccs1 ZINC001303675324 1068213870 /nfs/dbraw/zinc/21/38/70/1068213870.db2.gz WTDRPTDYARNZEC-KRWDZBQOSA-N 1 0 485.614 3.397 20 5 JGBDRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC001303735064 1068291862 /nfs/dbraw/zinc/29/18/62/1068291862.db2.gz VFLYPIJMYWULLK-FQEVSTJZSA-N 1 0 478.601 3.033 20 5 JGBDRO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC001303743381 1068302724 /nfs/dbraw/zinc/30/27/24/1068302724.db2.gz AVJCDYAUTLDJIT-GOSISDBHSA-N 1 0 450.547 3.054 20 5 JGBDRO CC[C@H](C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC001305346562 1068586503 /nfs/dbraw/zinc/58/65/03/1068586503.db2.gz FXPGCJLYIFEDDQ-MZKRTTBSSA-N 1 0 486.617 3.463 20 5 JGBDRO CC[C@H](C)c1nnc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305452802 1068689519 /nfs/dbraw/zinc/68/95/19/1068689519.db2.gz KXNRDZKARCUUCF-IPMKNSEASA-N 1 0 474.610 3.237 20 5 JGBDRO CCC(CC)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC2(COC(=O)N2)CC1)[NH+](C)C ZINC001305703318 1069087087 /nfs/dbraw/zinc/08/70/87/1069087087.db2.gz HJXONPLCNPAGOY-HXUWFJFHSA-N 1 0 485.589 3.299 20 5 JGBDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164619251 719008324 /nfs/dbraw/zinc/00/83/24/719008324.db2.gz UVYGLMMMJNSMCV-DNVCBOLYSA-N 1 0 458.893 3.337 20 5 JGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680634 719657503 /nfs/dbraw/zinc/65/75/03/719657503.db2.gz GMOGYSKAKADEFH-LJQANCHMSA-N 1 0 451.571 3.392 20 5 JGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683215 719660284 /nfs/dbraw/zinc/66/02/84/719660284.db2.gz UXLYEAUNODEHRJ-KRWDZBQOSA-N 1 0 487.004 3.440 20 5 JGBDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)c2ccccc21 ZINC001164680657 719661444 /nfs/dbraw/zinc/66/14/44/719661444.db2.gz HASBRKFCHJXCND-QGZVFWFLSA-N 1 0 455.534 3.222 20 5 JGBDRO COc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC001164682959 719666852 /nfs/dbraw/zinc/66/68/52/719666852.db2.gz QDYGMZFDLIQTCE-SFHVURJKSA-N 1 0 467.570 3.092 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164814875 720078186 /nfs/dbraw/zinc/07/81/86/720078186.db2.gz XPRAOCROYKDEHL-VFNWGFHPSA-N 1 0 452.939 3.005 20 5 JGBDRO Cn1nnc2c1CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1 ZINC001164717664 720179318 /nfs/dbraw/zinc/17/93/18/720179318.db2.gz LEDQNUJZPFTRQO-GOSISDBHSA-N 1 0 471.949 3.141 20 5 JGBDRO Cn1nnc2c1CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719888 720186968 /nfs/dbraw/zinc/18/69/68/720186968.db2.gz YEAANSHAFOZKHG-IBGZPJMESA-N 1 0 471.949 3.141 20 5 JGBDRO CCc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164814561 720240103 /nfs/dbraw/zinc/24/01/03/720240103.db2.gz YPXCEPHLFFMHGL-UHFFFAOYSA-N 1 0 477.569 3.421 20 5 JGBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164825950 720292192 /nfs/dbraw/zinc/29/21/92/720292192.db2.gz UUVJADOYJYIADM-JKSUJKDBSA-N 1 0 457.909 3.100 20 5 JGBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838912 720515267 /nfs/dbraw/zinc/51/52/67/720515267.db2.gz RXCFJXYSWQDMQX-QLFBSQMISA-N 1 0 451.984 3.334 20 5 JGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738817 720826338 /nfs/dbraw/zinc/82/63/38/720826338.db2.gz GVIQYNQVNCFGSO-SQWLQELKSA-N 1 0 452.346 3.268 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)ccc1F ZINC001164753575 720854562 /nfs/dbraw/zinc/85/45/62/720854562.db2.gz YDVYKTAHZQSFIY-XQBPLPMBSA-N 1 0 478.532 3.162 20 5 JGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755250 720877706 /nfs/dbraw/zinc/87/77/06/720877706.db2.gz VJDPKDIHGZWNPA-CVDCTZTESA-N 1 0 472.977 3.497 20 5 JGBDRO COc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164755098 720884688 /nfs/dbraw/zinc/88/46/88/720884688.db2.gz KRODAMDHAZQOAW-HYBUGGRVSA-N 1 0 453.543 3.149 20 5 JGBDRO O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)ccc1F ZINC001164880685 721172957 /nfs/dbraw/zinc/17/29/57/721172957.db2.gz XAAMRHCLFUSYTQ-RTBURBONSA-N 1 0 450.474 3.066 20 5 JGBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC2)C1 ZINC001164873545 721273570 /nfs/dbraw/zinc/27/35/70/721273570.db2.gz OFFNSOBSWWWENG-UHFFFAOYSA-N 1 0 468.001 3.443 20 5 JGBDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164784265 721373852 /nfs/dbraw/zinc/37/38/52/721373852.db2.gz RCCWLZVBPFXICF-QHCPKHFHSA-N 1 0 452.515 3.262 20 5 JGBDRO Cc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1[N+](=O)[O-] ZINC001164898633 721426329 /nfs/dbraw/zinc/42/63/29/721426329.db2.gz WGKXKKQVIRLWOC-BWKNWUBXSA-N 1 0 466.586 3.126 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])CC2 ZINC001164788582 721450229 /nfs/dbraw/zinc/45/02/29/721450229.db2.gz RMJSORUZEGTBPI-KRWDZBQOSA-N 1 0 453.971 3.081 20 5 JGBDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164788658 721454027 /nfs/dbraw/zinc/45/40/27/721454027.db2.gz SDDGCABFXSOFSP-HXUWFJFHSA-N 1 0 455.559 3.272 20 5 JGBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901609 721515553 /nfs/dbraw/zinc/51/55/53/721515553.db2.gz XPITTYKZIIYCEL-ZBFHGGJFSA-N 1 0 464.881 3.301 20 5 JGBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001164932291 721889869 /nfs/dbraw/zinc/88/98/69/721889869.db2.gz IGMFKLFKBKVMLS-OALUTQOASA-N 1 0 466.920 3.465 20 5 JGBDRO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-] ZINC001164954104 722013542 /nfs/dbraw/zinc/01/35/42/722013542.db2.gz IHMLMUGPFFIXQC-UHFFFAOYSA-N 1 0 460.922 3.102 20 5 JGBDRO Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[NH+](CCc4ccccn4)CC3)c2c1C ZINC001165056060 722018677 /nfs/dbraw/zinc/01/86/77/722018677.db2.gz VERJUUMIIQWNCC-UHFFFAOYSA-N 1 0 478.582 3.221 20 5 JGBDRO CCc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001165004015 722257022 /nfs/dbraw/zinc/25/70/22/722257022.db2.gz LKPVQWCDCXBPAU-UHFFFAOYSA-N 1 0 465.558 3.299 20 5 JGBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CCC2 ZINC001165004078 722257928 /nfs/dbraw/zinc/25/79/28/722257928.db2.gz MPDHCXPCJKQLNV-UHFFFAOYSA-N 1 0 454.506 3.481 20 5 JGBDRO