smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000329050742	570183010	/nfs/dbraw/zinc/18/30/10/570183010.db2.gz	UUPGHFPZLCRBLV-FQEVSTJZSA-N	1	2	491.470	4.991	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCC[N@@H+]12	ZINC000408564390	570202668	/nfs/dbraw/zinc/20/26/68/570202668.db2.gz	CMHJFVUJDZVODL-TUPPOGIXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCC[N@H+]12	ZINC000408564390	570202670	/nfs/dbraw/zinc/20/26/70/570202670.db2.gz	CMHJFVUJDZVODL-TUPPOGIXSA-N	1	2	473.504	4.459	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1Cl	ZINC000408567111	570204014	/nfs/dbraw/zinc/20/40/14/570204014.db2.gz	PRSSRGAPVHVXOT-LXISHSFJSA-N	1	2	493.947	4.496	40	5		JIBBLO
COc1cc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl	ZINC000408567111	570204015	/nfs/dbraw/zinc/20/40/15/570204015.db2.gz	PRSSRGAPVHVXOT-LXISHSFJSA-N	1	2	493.947	4.496	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1F)[C@H]1CCC[N@@H+]12	ZINC000408567846	570204122	/nfs/dbraw/zinc/20/41/22/570204122.db2.gz	RYNXLMUJXSFBKE-AWTIUKJOSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1F)[C@H]1CCC[N@H+]12	ZINC000408567846	570204123	/nfs/dbraw/zinc/20/41/23/570204123.db2.gz	RYNXLMUJXSFBKE-AWTIUKJOSA-N	1	2	473.504	4.459	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2Cl)cc1	ZINC000408569776	570204499	/nfs/dbraw/zinc/20/44/99/570204499.db2.gz	XULXHVMPBUWADJ-JSAFGSNCSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2Cl)cc1	ZINC000408569776	570204500	/nfs/dbraw/zinc/20/45/00/570204500.db2.gz	XULXHVMPBUWADJ-JSAFGSNCSA-N	1	2	463.921	4.487	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1cccc(F)c1	ZINC000408575355	570205650	/nfs/dbraw/zinc/20/56/50/570205650.db2.gz	WARAJLZLQPAGLZ-AHNGBTAHSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1	ZINC000408575355	570205651	/nfs/dbraw/zinc/20/56/51/570205651.db2.gz	WARAJLZLQPAGLZ-AHNGBTAHSA-N	1	2	491.519	4.372	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408563977	570202329	/nfs/dbraw/zinc/20/23/29/570202329.db2.gz	BWMNHDSUEROJQQ-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCC[N@H+]12	ZINC000408563977	570202330	/nfs/dbraw/zinc/20/23/30/570202330.db2.gz	BWMNHDSUEROJQQ-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408563977	570202331	/nfs/dbraw/zinc/20/23/31/570202331.db2.gz	BWMNHDSUEROJQQ-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCC[N@H+]12	ZINC000408563977	570202332	/nfs/dbraw/zinc/20/23/32/570202332.db2.gz	BWMNHDSUEROJQQ-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CCC[N@@H+]12	ZINC000408565967	570203544	/nfs/dbraw/zinc/20/35/44/570203544.db2.gz	MLTXRJVQZNKPNM-AWTIUKJOSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CCC[N@H+]12	ZINC000408565967	570203546	/nfs/dbraw/zinc/20/35/46/570203546.db2.gz	MLTXRJVQZNKPNM-AWTIUKJOSA-N	1	2	455.514	4.320	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408566277	570203773	/nfs/dbraw/zinc/20/37/73/570203773.db2.gz	FFMZHAPNBQOOGU-POIRLRRGSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408566277	570203774	/nfs/dbraw/zinc/20/37/74/570203774.db2.gz	FFMZHAPNBQOOGU-POIRLRRGSA-N	1	2	463.921	4.487	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1Cl	ZINC000408567106	570204016	/nfs/dbraw/zinc/20/40/16/570204016.db2.gz	PRSSRGAPVHVXOT-JMTGYTTLSA-N	1	2	493.947	4.496	40	5		JIBBLO
COc1cc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl	ZINC000408567106	570204017	/nfs/dbraw/zinc/20/40/17/570204017.db2.gz	PRSSRGAPVHVXOT-JMTGYTTLSA-N	1	2	493.947	4.496	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1F)[C@@H]1CCC[N@@H+]12	ZINC000408567847	570204148	/nfs/dbraw/zinc/20/41/48/570204148.db2.gz	RYNXLMUJXSFBKE-TUPPOGIXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1F)[C@@H]1CCC[N@H+]12	ZINC000408567847	570204149	/nfs/dbraw/zinc/20/41/49/570204149.db2.gz	RYNXLMUJXSFBKE-TUPPOGIXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408569802	570204481	/nfs/dbraw/zinc/20/44/81/570204481.db2.gz	XYYPGRIXRFTLRT-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408569802	570204482	/nfs/dbraw/zinc/20/44/82/570204482.db2.gz	XYYPGRIXRFTLRT-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408569802	570204483	/nfs/dbraw/zinc/20/44/83/570204483.db2.gz	XYYPGRIXRFTLRT-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408569802	570204484	/nfs/dbraw/zinc/20/44/84/570204484.db2.gz	XYYPGRIXRFTLRT-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1F	ZINC000408572047	570204833	/nfs/dbraw/zinc/20/48/33/570204833.db2.gz	QMYPCZKGSNZDGJ-CNOGLUJGSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1F	ZINC000408572047	570204834	/nfs/dbraw/zinc/20/48/34/570204834.db2.gz	QMYPCZKGSNZDGJ-CNOGLUJGSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1F	ZINC000408572050	570204872	/nfs/dbraw/zinc/20/48/72/570204872.db2.gz	QMYPCZKGSNZDGJ-IUVRIDBFSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F	ZINC000408572050	570204873	/nfs/dbraw/zinc/20/48/73/570204873.db2.gz	QMYPCZKGSNZDGJ-IUVRIDBFSA-N	1	2	491.519	4.372	40	5		JIBBLO
O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000409024661	570104025	/nfs/dbraw/zinc/10/40/25/570104025.db2.gz	MMPYJZAXJQDLGV-LFVJCYFKSA-N	1	2	471.513	4.209	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408563979	570202340	/nfs/dbraw/zinc/20/23/40/570202340.db2.gz	BWMNHDSUEROJQQ-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCC[N@H+]12	ZINC000408563979	570202341	/nfs/dbraw/zinc/20/23/41/570202341.db2.gz	BWMNHDSUEROJQQ-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408563979	570202342	/nfs/dbraw/zinc/20/23/42/570202342.db2.gz	BWMNHDSUEROJQQ-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCC[N@H+]12	ZINC000408563979	570202343	/nfs/dbraw/zinc/20/23/43/570202343.db2.gz	BWMNHDSUEROJQQ-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000261361954	570167438	/nfs/dbraw/zinc/16/74/38/570167438.db2.gz	FBMADJPGCWFXCH-NRFANRHFSA-O	1	2	484.558	4.404	40	5		JIBBLO
CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000261366316	570169530	/nfs/dbraw/zinc/16/95/30/570169530.db2.gz	YTOXFNHGDSQHJX-QFIPXVFZSA-O	1	2	466.543	4.241	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1)[C@H]1CCC[N@@H+]12	ZINC000408565980	570203647	/nfs/dbraw/zinc/20/36/47/570203647.db2.gz	MLTXRJVQZNKPNM-YUHKXCSQSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1)[C@H]1CCC[N@H+]12	ZINC000408565980	570203648	/nfs/dbraw/zinc/20/36/48/570203648.db2.gz	MLTXRJVQZNKPNM-YUHKXCSQSA-N	1	2	455.514	4.320	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(F)cc1	ZINC000408568811	570204247	/nfs/dbraw/zinc/20/42/47/570204247.db2.gz	URWWYZYYEWWZLB-AHNGBTAHSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000408568811	570204248	/nfs/dbraw/zinc/20/42/48/570204248.db2.gz	URWWYZYYEWWZLB-AHNGBTAHSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1	ZINC000408570084	570204572	/nfs/dbraw/zinc/20/45/72/570204572.db2.gz	YPLAPUSNCQBVQH-QKSQJBIDSA-N	1	2	473.529	4.233	40	5		JIBBLO
CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1	ZINC000408570084	570204573	/nfs/dbraw/zinc/20/45/73/570204573.db2.gz	YPLAPUSNCQBVQH-QKSQJBIDSA-N	1	2	473.529	4.233	40	5		JIBBLO
COc1cc(C(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC	ZINC000041124364	522164626	/nfs/dbraw/zinc/16/46/26/522164626.db2.gz	SGRGOEDHVWEQCZ-UHFFFAOYSA-N	1	2	465.491	4.482	40	5		JIBBLO
O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCN(c2cccc[nH+]2)CC1	ZINC000408974528	570089469	/nfs/dbraw/zinc/08/94/69/570089469.db2.gz	BAUQCCOZZYDNQN-UHFFFAOYSA-N	1	2	471.524	4.237	40	5		JIBBLO
Cn1ccnc1Sc1ccc([C@H](Nc2cccc[nH+]2)n2nnc3ccccc32)cc1[N+](=O)[O-]	ZINC000059488705	569605555	/nfs/dbraw/zinc/60/55/55/569605555.db2.gz	KXYUEFQZVFYHLT-OAQYLSRUSA-N	1	2	458.507	4.278	40	5		JIBBLO
CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)c(OCC)c1[N+](=O)[O-]	ZINC000261363239	570167839	/nfs/dbraw/zinc/16/78/39/570167839.db2.gz	QFEFZYVPUASSNR-FQEVSTJZSA-O	1	2	470.531	4.014	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCC[N@@H+]12	ZINC000408563974	570202354	/nfs/dbraw/zinc/20/23/54/570202354.db2.gz	BWMNHDSUEROJQQ-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCC[N@H+]12	ZINC000408563974	570202355	/nfs/dbraw/zinc/20/23/55/570202355.db2.gz	BWMNHDSUEROJQQ-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCC[N@@H+]12	ZINC000408563974	570202356	/nfs/dbraw/zinc/20/23/56/570202356.db2.gz	BWMNHDSUEROJQQ-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCC[N@H+]12	ZINC000408563974	570202357	/nfs/dbraw/zinc/20/23/57/570202357.db2.gz	BWMNHDSUEROJQQ-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(C)cc1	ZINC000408565179	570203251	/nfs/dbraw/zinc/20/32/51/570203251.db2.gz	INWFJGCTTGGURQ-KTIISADKSA-N	1	2	473.529	4.151	40	5		JIBBLO
COc1cc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1	ZINC000408565179	570203253	/nfs/dbraw/zinc/20/32/53/570203253.db2.gz	INWFJGCTTGGURQ-KTIISADKSA-N	1	2	473.529	4.151	40	5		JIBBLO
CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000261365933	570169275	/nfs/dbraw/zinc/16/92/75/570169275.db2.gz	WIMNOFWPKYMTTI-HSZRJFAPSA-O	1	2	490.521	4.330	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408567168	570203995	/nfs/dbraw/zinc/20/39/95/570203995.db2.gz	QDWGKLPMJDBUIZ-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCC[N@H+]12	ZINC000408567168	570203996	/nfs/dbraw/zinc/20/39/96/570203996.db2.gz	QDWGKLPMJDBUIZ-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408567168	570203997	/nfs/dbraw/zinc/20/39/97/570203997.db2.gz	QDWGKLPMJDBUIZ-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCC[N@H+]12	ZINC000408567168	570203998	/nfs/dbraw/zinc/20/39/98/570203998.db2.gz	QDWGKLPMJDBUIZ-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000261365934	570169187	/nfs/dbraw/zinc/16/91/87/570169187.db2.gz	WIMNOFWPKYMTTI-QHCPKHFHSA-O	1	2	490.521	4.330	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(C)cc1	ZINC000408565180	570203258	/nfs/dbraw/zinc/20/32/58/570203258.db2.gz	INWFJGCTTGGURQ-NXDAVNMYSA-N	1	2	473.529	4.151	40	5		JIBBLO
COc1cc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1	ZINC000408565180	570203260	/nfs/dbraw/zinc/20/32/60/570203260.db2.gz	INWFJGCTTGGURQ-NXDAVNMYSA-N	1	2	473.529	4.151	40	5		JIBBLO
CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000261363277	570167911	/nfs/dbraw/zinc/16/79/11/570167911.db2.gz	QPCNWAAAFNMOEK-QHCPKHFHSA-O	1	2	490.521	4.249	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccc(Cl)cc1	ZINC000408563996	570202529	/nfs/dbraw/zinc/20/25/29/570202529.db2.gz	BWTWINCXQPKNCA-POIRLRRGSA-N	1	2	463.921	4.487	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408566019	570203562	/nfs/dbraw/zinc/20/35/62/570203562.db2.gz	MQFLUVULGUOSNZ-RAKSCHNQSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCC[N@H+]12	ZINC000408566019	570203564	/nfs/dbraw/zinc/20/35/64/570203564.db2.gz	MQFLUVULGUOSNZ-RAKSCHNQSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408566019	570203565	/nfs/dbraw/zinc/20/35/65/570203565.db2.gz	MQFLUVULGUOSNZ-RAKSCHNQSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCC[N@H+]12	ZINC000408566019	570203567	/nfs/dbraw/zinc/20/35/67/570203567.db2.gz	MQFLUVULGUOSNZ-RAKSCHNQSA-N	1	2	455.514	4.320	40	5		JIBBLO
Cc1ccc(C(=O)OCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1OCc1ccccc1	ZINC000005011298	554485409	/nfs/dbraw/zinc/48/54/09/554485409.db2.gz	SBAUGCTWCMOARS-UHFFFAOYSA-N	1	2	475.545	4.461	40	5		JIBBLO
CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)c(OC)c1[N+](=O)[O-]	ZINC000261363691	570168211	/nfs/dbraw/zinc/16/82/11/570168211.db2.gz	VVQQBQXNGVNDGX-HXUWFJFHSA-O	1	2	470.531	4.014	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408566280	570203770	/nfs/dbraw/zinc/20/37/70/570203770.db2.gz	FFMZHAPNBQOOGU-UWSFRGMNSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408566280	570203771	/nfs/dbraw/zinc/20/37/71/570203771.db2.gz	FFMZHAPNBQOOGU-UWSFRGMNSA-N	1	2	463.921	4.487	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408567169	570204010	/nfs/dbraw/zinc/20/40/10/570204010.db2.gz	QDWGKLPMJDBUIZ-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408567169	570204011	/nfs/dbraw/zinc/20/40/11/570204011.db2.gz	QDWGKLPMJDBUIZ-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408567169	570204012	/nfs/dbraw/zinc/20/40/12/570204012.db2.gz	QDWGKLPMJDBUIZ-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408567169	570204013	/nfs/dbraw/zinc/20/40/13/570204013.db2.gz	QDWGKLPMJDBUIZ-CLPFNFTISA-N	1	2	473.504	4.459	40	5		JIBBLO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1	ZINC000012643610	195072682	/nfs/dbraw/zinc/07/26/82/195072682.db2.gz	OBWPIDCPTCLBMO-UHFFFAOYSA-N	1	2	454.899	4.416	40	5		JIBBLO
CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)c(OC)c1[N+](=O)[O-]	ZINC000261363690	570168217	/nfs/dbraw/zinc/16/82/17/570168217.db2.gz	VVQQBQXNGVNDGX-FQEVSTJZSA-O	1	2	470.531	4.014	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccccc1Cl	ZINC000408572611	570205018	/nfs/dbraw/zinc/20/50/18/570205018.db2.gz	RLYFWQJENXDLPS-POIRLRRGSA-N	1	2	463.921	4.487	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCC[N@@H+]12	ZINC000408564392	570202584	/nfs/dbraw/zinc/20/25/84/570202584.db2.gz	CMHJFVUJDZVODL-UQBYDPJISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCC[N@H+]12	ZINC000408564392	570202586	/nfs/dbraw/zinc/20/25/86/570202586.db2.gz	CMHJFVUJDZVODL-UQBYDPJISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CCC[N@@H+]12	ZINC000408565971	570203610	/nfs/dbraw/zinc/20/36/10/570203610.db2.gz	MLTXRJVQZNKPNM-TUPPOGIXSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CCC[N@H+]12	ZINC000408565971	570203612	/nfs/dbraw/zinc/20/36/12/570203612.db2.gz	MLTXRJVQZNKPNM-TUPPOGIXSA-N	1	2	455.514	4.320	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408566275	570203688	/nfs/dbraw/zinc/20/36/88/570203688.db2.gz	FFMZHAPNBQOOGU-LPVCTFIXSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408566275	570203690	/nfs/dbraw/zinc/20/36/90/570203690.db2.gz	FFMZHAPNBQOOGU-LPVCTFIXSA-N	1	2	463.921	4.487	40	5		JIBBLO
CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc([N+](=O)[O-])ccc1OCC	ZINC000261365994	570169387	/nfs/dbraw/zinc/16/93/87/570169387.db2.gz	WUZHJMUJVULCBN-QHCPKHFHSA-O	1	2	496.569	4.249	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(C)cc1	ZINC000408565181	570203272	/nfs/dbraw/zinc/20/32/72/570203272.db2.gz	INWFJGCTTGGURQ-OGZQIAKDSA-N	1	2	473.529	4.151	40	5		JIBBLO
COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(C)cc1	ZINC000408565181	570203273	/nfs/dbraw/zinc/20/32/73/570203273.db2.gz	INWFJGCTTGGURQ-OGZQIAKDSA-N	1	2	473.529	4.151	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(F)cc1)[C@H]1CCC[N@@H+]12	ZINC000408569395	570204396	/nfs/dbraw/zinc/20/43/96/570204396.db2.gz	WMLUTYDPNLNKFG-AWTIUKJOSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(F)cc1)[C@H]1CCC[N@H+]12	ZINC000408569395	570204397	/nfs/dbraw/zinc/20/43/97/570204397.db2.gz	WMLUTYDPNLNKFG-AWTIUKJOSA-N	1	2	473.504	4.459	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	ZINC000408569781	570204449	/nfs/dbraw/zinc/20/44/49/570204449.db2.gz	XULXHVMPBUWADJ-UWSFRGMNSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	ZINC000408569781	570204450	/nfs/dbraw/zinc/20/44/50/570204450.db2.gz	XULXHVMPBUWADJ-UWSFRGMNSA-N	1	2	463.921	4.487	40	5		JIBBLO
COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc([N+](=O)[O-])c1O	ZINC000261366156	570169408	/nfs/dbraw/zinc/16/94/08/570169408.db2.gz	XQXPFTOFNFECOQ-JOCHJYFZSA-O	1	2	490.521	4.024	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408567171	570204048	/nfs/dbraw/zinc/20/40/48/570204048.db2.gz	QDWGKLPMJDBUIZ-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408567171	570204049	/nfs/dbraw/zinc/20/40/49/570204049.db2.gz	QDWGKLPMJDBUIZ-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408567171	570204050	/nfs/dbraw/zinc/20/40/50/570204050.db2.gz	QDWGKLPMJDBUIZ-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408567171	570204051	/nfs/dbraw/zinc/20/40/51/570204051.db2.gz	QDWGKLPMJDBUIZ-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(F)cc1	ZINC000408568816	570204259	/nfs/dbraw/zinc/20/42/59/570204259.db2.gz	URWWYZYYEWWZLB-MAYPLETRSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(F)cc1	ZINC000408568816	570204260	/nfs/dbraw/zinc/20/42/60/570204260.db2.gz	URWWYZYYEWWZLB-MAYPLETRSA-N	1	2	491.519	4.372	40	5		JIBBLO
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12	ZINC000049871931	569850222	/nfs/dbraw/zinc/85/02/22/569850222.db2.gz	YZFQNJXDLGMXEG-CJRSTVEYSA-N	1	2	471.513	4.121	40	5		JIBBLO
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12	ZINC000049871931	569850224	/nfs/dbraw/zinc/85/02/24/569850224.db2.gz	YZFQNJXDLGMXEG-CJRSTVEYSA-N	1	2	471.513	4.121	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@H]1CCC[N@@H+]12	ZINC000408564393	570202571	/nfs/dbraw/zinc/20/25/71/570202571.db2.gz	CMHJFVUJDZVODL-YUHKXCSQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@H]1CCC[N@H+]12	ZINC000408564393	570202573	/nfs/dbraw/zinc/20/25/73/570202573.db2.gz	CMHJFVUJDZVODL-YUHKXCSQSA-N	1	2	473.504	4.459	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccccc1Cl	ZINC000408572610	570205015	/nfs/dbraw/zinc/20/50/15/570205015.db2.gz	RLYFWQJENXDLPS-LPVCTFIXSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccccc1Cl	ZINC000408572609	570205022	/nfs/dbraw/zinc/20/50/22/570205022.db2.gz	RLYFWQJENXDLPS-JSAFGSNCSA-N	1	2	463.921	4.487	40	5		JIBBLO
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12	ZINC000049871930	569850073	/nfs/dbraw/zinc/85/00/73/569850073.db2.gz	YZFQNJXDLGMXEG-NEWJYFPISA-N	1	2	471.513	4.121	40	5		JIBBLO
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12	ZINC000049871930	569850075	/nfs/dbraw/zinc/85/00/75/569850075.db2.gz	YZFQNJXDLGMXEG-NEWJYFPISA-N	1	2	471.513	4.121	40	5		JIBBLO
CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	ZINC000261363276	570167914	/nfs/dbraw/zinc/16/79/14/570167914.db2.gz	QPCNWAAAFNMOEK-HSZRJFAPSA-O	1	2	490.521	4.249	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccc(Cl)cc1	ZINC000408563995	570202524	/nfs/dbraw/zinc/20/25/24/570202524.db2.gz	BWTWINCXQPKNCA-LPVCTFIXSA-N	1	2	463.921	4.487	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(Cl)cc1	ZINC000408575101	570205553	/nfs/dbraw/zinc/20/55/53/570205553.db2.gz	WAGLUYUTAJFUCC-JMTGYTTLSA-N	1	2	493.947	4.496	40	5		JIBBLO
COc1cc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000408575101	570205554	/nfs/dbraw/zinc/20/55/54/570205554.db2.gz	WAGLUYUTAJFUCC-JMTGYTTLSA-N	1	2	493.947	4.496	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1F)[C@H]1CCC[N@@H+]12	ZINC000408567849	570204114	/nfs/dbraw/zinc/20/41/14/570204114.db2.gz	RYNXLMUJXSFBKE-YUHKXCSQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1F)[C@H]1CCC[N@H+]12	ZINC000408567849	570204115	/nfs/dbraw/zinc/20/41/15/570204115.db2.gz	RYNXLMUJXSFBKE-YUHKXCSQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408569804	570204463	/nfs/dbraw/zinc/20/44/63/570204463.db2.gz	XYYPGRIXRFTLRT-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCC[N@H+]12	ZINC000408569804	570204464	/nfs/dbraw/zinc/20/44/64/570204464.db2.gz	XYYPGRIXRFTLRT-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408569804	570204465	/nfs/dbraw/zinc/20/44/65/570204465.db2.gz	XYYPGRIXRFTLRT-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCC[N@H+]12	ZINC000408569804	570204466	/nfs/dbraw/zinc/20/44/66/570204466.db2.gz	XYYPGRIXRFTLRT-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(Cl)cc1	ZINC000408575098	570205573	/nfs/dbraw/zinc/20/55/73/570205573.db2.gz	WAGLUYUTAJFUCC-DWSPACKXSA-N	1	2	493.947	4.496	40	5		JIBBLO
COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(Cl)cc1	ZINC000408575098	570205574	/nfs/dbraw/zinc/20/55/74/570205574.db2.gz	WAGLUYUTAJFUCC-DWSPACKXSA-N	1	2	493.947	4.496	40	5		JIBBLO
CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000328964971	570179733	/nfs/dbraw/zinc/17/97/33/570179733.db2.gz	BZRHLVWUHFZIDA-LJQANCHMSA-N	1	2	491.470	4.991	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(C)cc1	ZINC000408565182	570203182	/nfs/dbraw/zinc/20/31/82/570203182.db2.gz	INWFJGCTTGGURQ-QKSQJBIDSA-N	1	2	473.529	4.151	40	5		JIBBLO
COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(C)cc1	ZINC000408565182	570203184	/nfs/dbraw/zinc/20/31/84/570203184.db2.gz	INWFJGCTTGGURQ-QKSQJBIDSA-N	1	2	473.529	4.151	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1cccc(F)c1	ZINC000408575364	570205639	/nfs/dbraw/zinc/20/56/39/570205639.db2.gz	WARAJLZLQPAGLZ-IUVRIDBFSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1	ZINC000408575364	570205640	/nfs/dbraw/zinc/20/56/40/570205640.db2.gz	WARAJLZLQPAGLZ-IUVRIDBFSA-N	1	2	491.519	4.372	40	5		JIBBLO
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl	ZINC000012643384	195072558	/nfs/dbraw/zinc/07/25/58/195072558.db2.gz	CWNDKYKSPYDHGE-UHFFFAOYSA-N	1	2	470.898	4.117	40	5		JIBBLO
O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2cccc[nH+]2)CC1	ZINC000408978394	570090406	/nfs/dbraw/zinc/09/04/06/570090406.db2.gz	ZGYNEOJVXQSTBH-UHFFFAOYSA-N	1	2	471.524	4.237	40	5		JIBBLO
CC(C)[C@@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000328955199	570179308	/nfs/dbraw/zinc/17/93/08/570179308.db2.gz	AAOIJUJIXFYOCO-HXUWFJFHSA-N	1	2	491.470	4.991	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccc(Cl)cc1	ZINC000408563997	570202507	/nfs/dbraw/zinc/20/25/07/570202507.db2.gz	BWTWINCXQPKNCA-UWSFRGMNSA-N	1	2	463.921	4.487	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1cccc(F)c1)[C@H]1CCC[N@@H+]12	ZINC000408564387	570202678	/nfs/dbraw/zinc/20/26/78/570202678.db2.gz	CMHJFVUJDZVODL-AWTIUKJOSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1cccc(F)c1)[C@H]1CCC[N@H+]12	ZINC000408564387	570202681	/nfs/dbraw/zinc/20/26/81/570202681.db2.gz	CMHJFVUJDZVODL-AWTIUKJOSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408566018	570203551	/nfs/dbraw/zinc/20/35/51/570203551.db2.gz	MQFLUVULGUOSNZ-FCRYVSRXSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408566018	570203553	/nfs/dbraw/zinc/20/35/53/570203553.db2.gz	MQFLUVULGUOSNZ-FCRYVSRXSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408566018	570203555	/nfs/dbraw/zinc/20/35/55/570203555.db2.gz	MQFLUVULGUOSNZ-FCRYVSRXSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408566018	570203557	/nfs/dbraw/zinc/20/35/57/570203557.db2.gz	MQFLUVULGUOSNZ-FCRYVSRXSA-N	1	2	455.514	4.320	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408566271	570203759	/nfs/dbraw/zinc/20/37/59/570203759.db2.gz	FFMZHAPNBQOOGU-JSAFGSNCSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408566271	570203760	/nfs/dbraw/zinc/20/37/60/570203760.db2.gz	FFMZHAPNBQOOGU-JSAFGSNCSA-N	1	2	463.921	4.487	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408569397	570204411	/nfs/dbraw/zinc/20/44/11/570204411.db2.gz	WMLUTYDPNLNKFG-UQBYDPJISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCC[N@H+]12	ZINC000408569397	570204412	/nfs/dbraw/zinc/20/44/12/570204412.db2.gz	WMLUTYDPNLNKFG-UQBYDPJISA-N	1	2	473.504	4.459	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1	ZINC000408570083	570204556	/nfs/dbraw/zinc/20/45/56/570204556.db2.gz	YPLAPUSNCQBVQH-OGZQIAKDSA-N	1	2	473.529	4.233	40	5		JIBBLO
CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1	ZINC000408570083	570204557	/nfs/dbraw/zinc/20/45/57/570204557.db2.gz	YPLAPUSNCQBVQH-OGZQIAKDSA-N	1	2	473.529	4.233	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(F)cc1	ZINC000408568812	570204265	/nfs/dbraw/zinc/20/42/65/570204265.db2.gz	URWWYZYYEWWZLB-CNOGLUJGSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(F)cc1	ZINC000408568812	570204266	/nfs/dbraw/zinc/20/42/66/570204266.db2.gz	URWWYZYYEWWZLB-CNOGLUJGSA-N	1	2	491.519	4.372	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(F)cc1)[C@H]1CCC[N@@H+]12	ZINC000408569398	570204404	/nfs/dbraw/zinc/20/44/04/570204404.db2.gz	WMLUTYDPNLNKFG-YUHKXCSQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(F)cc1)[C@H]1CCC[N@H+]12	ZINC000408569398	570204405	/nfs/dbraw/zinc/20/44/05/570204405.db2.gz	WMLUTYDPNLNKFG-YUHKXCSQSA-N	1	2	473.504	4.459	40	5		JIBBLO
Cn1ccnc1Sc1ccc([C@@H](Nc2cccc[nH+]2)n2nnc3ccccc32)cc1[N+](=O)[O-]	ZINC000059488704	569605639	/nfs/dbraw/zinc/60/56/39/569605639.db2.gz	KXYUEFQZVFYHLT-NRFANRHFSA-N	1	2	458.507	4.278	40	5		JIBBLO
O=[N+]([O-])c1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1	ZINC000038453398	569801373	/nfs/dbraw/zinc/80/13/73/569801373.db2.gz	QVZKEQDJKMFEDU-UHFFFAOYSA-N	1	2	461.881	4.175	40	5		JIBBLO
CC(C)[C@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000328964970	570179696	/nfs/dbraw/zinc/17/96/96/570179696.db2.gz	BZRHLVWUHFZIDA-IBGZPJMESA-N	1	2	491.470	4.991	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408569396	570204398	/nfs/dbraw/zinc/20/43/98/570204398.db2.gz	WMLUTYDPNLNKFG-TUPPOGIXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCC[N@H+]12	ZINC000408569396	570204399	/nfs/dbraw/zinc/20/43/99/570204399.db2.gz	WMLUTYDPNLNKFG-TUPPOGIXSA-N	1	2	473.504	4.459	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1cccc(F)c1	ZINC000408575367	570205616	/nfs/dbraw/zinc/20/56/16/570205616.db2.gz	WARAJLZLQPAGLZ-MAYPLETRSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1cccc(F)c1	ZINC000408575367	570205617	/nfs/dbraw/zinc/20/56/17/570205617.db2.gz	WARAJLZLQPAGLZ-MAYPLETRSA-N	1	2	491.519	4.372	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408569799	570204459	/nfs/dbraw/zinc/20/44/59/570204459.db2.gz	XYYPGRIXRFTLRT-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCC[N@H+]12	ZINC000408569799	570204460	/nfs/dbraw/zinc/20/44/60/570204460.db2.gz	XYYPGRIXRFTLRT-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408569799	570204461	/nfs/dbraw/zinc/20/44/61/570204461.db2.gz	XYYPGRIXRFTLRT-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCC[N@H+]12	ZINC000408569799	570204462	/nfs/dbraw/zinc/20/44/62/570204462.db2.gz	XYYPGRIXRFTLRT-BGBNXGLDSA-N	1	2	473.504	4.459	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccc(Cl)cc1	ZINC000408563993	570202383	/nfs/dbraw/zinc/20/23/83/570202383.db2.gz	BWTWINCXQPKNCA-JSAFGSNCSA-N	1	2	463.921	4.487	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1cccc(F)c1	ZINC000408575360	570205610	/nfs/dbraw/zinc/20/56/10/570205610.db2.gz	WARAJLZLQPAGLZ-CNOGLUJGSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1cccc(F)c1	ZINC000408575360	570205611	/nfs/dbraw/zinc/20/56/11/570205611.db2.gz	WARAJLZLQPAGLZ-CNOGLUJGSA-N	1	2	491.519	4.372	40	5		JIBBLO
CC(C)[C@@H](CO)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000329050744	570183063	/nfs/dbraw/zinc/18/30/63/570183063.db2.gz	UUPGHFPZLCRBLV-HXUWFJFHSA-N	1	2	491.470	4.991	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CCC[N@@H+]12	ZINC000408565977	570203527	/nfs/dbraw/zinc/20/35/27/570203527.db2.gz	MLTXRJVQZNKPNM-UQBYDPJISA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CCC[N@H+]12	ZINC000408565977	570203528	/nfs/dbraw/zinc/20/35/28/570203528.db2.gz	MLTXRJVQZNKPNM-UQBYDPJISA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408566014	570203569	/nfs/dbraw/zinc/20/35/69/570203569.db2.gz	MQFLUVULGUOSNZ-CLPFNFTISA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408566014	570203570	/nfs/dbraw/zinc/20/35/70/570203570.db2.gz	MQFLUVULGUOSNZ-CLPFNFTISA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408566014	570203572	/nfs/dbraw/zinc/20/35/72/570203572.db2.gz	MQFLUVULGUOSNZ-CLPFNFTISA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408566014	570203574	/nfs/dbraw/zinc/20/35/74/570203574.db2.gz	MQFLUVULGUOSNZ-CLPFNFTISA-N	1	2	455.514	4.320	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2Cl)cc1	ZINC000408569778	570204452	/nfs/dbraw/zinc/20/44/52/570204452.db2.gz	XULXHVMPBUWADJ-POIRLRRGSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2Cl)cc1	ZINC000408569778	570204453	/nfs/dbraw/zinc/20/44/53/570204453.db2.gz	XULXHVMPBUWADJ-POIRLRRGSA-N	1	2	463.921	4.487	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1F	ZINC000408572054	570204843	/nfs/dbraw/zinc/20/48/43/570204843.db2.gz	QMYPCZKGSNZDGJ-MAYPLETRSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1F	ZINC000408572054	570204844	/nfs/dbraw/zinc/20/48/44/570204844.db2.gz	QMYPCZKGSNZDGJ-MAYPLETRSA-N	1	2	491.519	4.372	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(Cl)cc1	ZINC000408575105	570205576	/nfs/dbraw/zinc/20/55/76/570205576.db2.gz	WAGLUYUTAJFUCC-LXISHSFJSA-N	1	2	493.947	4.496	40	5		JIBBLO
COc1cc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000408575105	570205577	/nfs/dbraw/zinc/20/55/77/570205577.db2.gz	WAGLUYUTAJFUCC-LXISHSFJSA-N	1	2	493.947	4.496	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1F)[C@@H]1CCC[N@@H+]12	ZINC000408567848	570204144	/nfs/dbraw/zinc/20/41/44/570204144.db2.gz	RYNXLMUJXSFBKE-UQBYDPJISA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1F)[C@@H]1CCC[N@H+]12	ZINC000408567848	570204145	/nfs/dbraw/zinc/20/41/45/570204145.db2.gz	RYNXLMUJXSFBKE-UQBYDPJISA-N	1	2	473.504	4.459	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(F)cc1	ZINC000408568814	570204296	/nfs/dbraw/zinc/20/42/96/570204296.db2.gz	URWWYZYYEWWZLB-IUVRIDBFSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000408568814	570204297	/nfs/dbraw/zinc/20/42/97/570204297.db2.gz	URWWYZYYEWWZLB-IUVRIDBFSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1	ZINC000408570082	570204523	/nfs/dbraw/zinc/20/45/23/570204523.db2.gz	YPLAPUSNCQBVQH-NXDAVNMYSA-N	1	2	473.529	4.233	40	5		JIBBLO
CCOc1cc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1	ZINC000408570082	570204524	/nfs/dbraw/zinc/20/45/24/570204524.db2.gz	YPLAPUSNCQBVQH-NXDAVNMYSA-N	1	2	473.529	4.233	40	5		JIBBLO
CC(C)[C@H](CO)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000328955196	570179296	/nfs/dbraw/zinc/17/92/96/570179296.db2.gz	AAOIJUJIXFYOCO-FQEVSTJZSA-N	1	2	491.470	4.991	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408567174	570204003	/nfs/dbraw/zinc/20/40/03/570204003.db2.gz	QDWGKLPMJDBUIZ-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCC[N@H+]12	ZINC000408567174	570204004	/nfs/dbraw/zinc/20/40/04/570204004.db2.gz	QDWGKLPMJDBUIZ-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408567174	570204005	/nfs/dbraw/zinc/20/40/05/570204005.db2.gz	QDWGKLPMJDBUIZ-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCC[N@H+]12	ZINC000408567174	570204006	/nfs/dbraw/zinc/20/40/06/570204006.db2.gz	QDWGKLPMJDBUIZ-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1Cl	ZINC000408567108	570204029	/nfs/dbraw/zinc/20/40/29/570204029.db2.gz	PRSSRGAPVHVXOT-KMBZULAFSA-N	1	2	493.947	4.496	40	5		JIBBLO
COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1Cl	ZINC000408567108	570204030	/nfs/dbraw/zinc/20/40/30/570204030.db2.gz	PRSSRGAPVHVXOT-KMBZULAFSA-N	1	2	493.947	4.496	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408569803	570204471	/nfs/dbraw/zinc/20/44/71/570204471.db2.gz	XYYPGRIXRFTLRT-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408569803	570204472	/nfs/dbraw/zinc/20/44/72/570204472.db2.gz	XYYPGRIXRFTLRT-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCC[N@@H+]12	ZINC000408569803	570204473	/nfs/dbraw/zinc/20/44/73/570204473.db2.gz	XYYPGRIXRFTLRT-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCC[N@H+]12	ZINC000408569803	570204474	/nfs/dbraw/zinc/20/44/74/570204474.db2.gz	XYYPGRIXRFTLRT-FCRYVSRXSA-N	1	2	473.504	4.459	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(Cl)cc1	ZINC000408575103	570205582	/nfs/dbraw/zinc/20/55/82/570205582.db2.gz	WAGLUYUTAJFUCC-KMBZULAFSA-N	1	2	493.947	4.496	40	5		JIBBLO
COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccc(Cl)cc1	ZINC000408575103	570205583	/nfs/dbraw/zinc/20/55/83/570205583.db2.gz	WAGLUYUTAJFUCC-KMBZULAFSA-N	1	2	493.947	4.496	40	5		JIBBLO
C=C1[NH+]=C(SC)N[C@@H](c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1C(=O)OCC	ZINC000408729870	570028798	/nfs/dbraw/zinc/02/87/98/570028798.db2.gz	DTDWUORFLQAGQU-NRFANRHFSA-N	1	2	471.535	4.383	40	5		JIBBLO
CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000261361955	570167425	/nfs/dbraw/zinc/16/74/25/570167425.db2.gz	FBMADJPGCWFXCH-OAQYLSRUSA-O	1	2	484.558	4.404	40	5		JIBBLO
CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)c(OCC)c1[N+](=O)[O-]	ZINC000261363241	570167848	/nfs/dbraw/zinc/16/78/48/570167848.db2.gz	QFEFZYVPUASSNR-HXUWFJFHSA-O	1	2	470.531	4.014	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408566013	570203643	/nfs/dbraw/zinc/20/36/43/570203643.db2.gz	MQFLUVULGUOSNZ-BGBNXGLDSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCC[N@H+]12	ZINC000408566013	570203644	/nfs/dbraw/zinc/20/36/44/570203644.db2.gz	MQFLUVULGUOSNZ-BGBNXGLDSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCC[N@@H+]12	ZINC000408566013	570203645	/nfs/dbraw/zinc/20/36/45/570203645.db2.gz	MQFLUVULGUOSNZ-BGBNXGLDSA-N	1	2	455.514	4.320	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCC[N@H+]12	ZINC000408566013	570203646	/nfs/dbraw/zinc/20/36/46/570203646.db2.gz	MQFLUVULGUOSNZ-BGBNXGLDSA-N	1	2	455.514	4.320	40	5		JIBBLO
C=C1[NH+]=C(SC)N[C@H](c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1C(=O)OCC	ZINC000408729872	570028844	/nfs/dbraw/zinc/02/88/44/570028844.db2.gz	DTDWUORFLQAGQU-OAQYLSRUSA-N	1	2	471.535	4.383	40	5		JIBBLO
CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000261366315	570169493	/nfs/dbraw/zinc/16/94/93/570169493.db2.gz	YTOXFNHGDSQHJX-JOCHJYFZSA-O	1	2	466.543	4.241	40	5		JIBBLO
COc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1Cl	ZINC000408567103	570203861	/nfs/dbraw/zinc/20/38/61/570203861.db2.gz	PRSSRGAPVHVXOT-DWSPACKXSA-N	1	2	493.947	4.496	40	5		JIBBLO
COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1Cl	ZINC000408567103	570203863	/nfs/dbraw/zinc/20/38/63/570203863.db2.gz	PRSSRGAPVHVXOT-DWSPACKXSA-N	1	2	493.947	4.496	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCC[N@@H+]12	ZINC000408563981	570202403	/nfs/dbraw/zinc/20/24/03/570202403.db2.gz	BWMNHDSUEROJQQ-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCC[N@H+]12	ZINC000408563981	570202405	/nfs/dbraw/zinc/20/24/05/570202405.db2.gz	BWMNHDSUEROJQQ-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCC[N@@H+]12	ZINC000408563981	570202407	/nfs/dbraw/zinc/20/24/07/570202407.db2.gz	BWMNHDSUEROJQQ-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCC[N@H+]12	ZINC000408563981	570202408	/nfs/dbraw/zinc/20/24/08/570202408.db2.gz	BWMNHDSUEROJQQ-RAKSCHNQSA-N	1	2	473.504	4.459	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	ZINC000408569777	570204495	/nfs/dbraw/zinc/20/44/95/570204495.db2.gz	XULXHVMPBUWADJ-LPVCTFIXSA-N	1	2	463.921	4.487	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2Cl)cc1	ZINC000408569777	570204496	/nfs/dbraw/zinc/20/44/96/570204496.db2.gz	XULXHVMPBUWADJ-LPVCTFIXSA-N	1	2	463.921	4.487	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1F	ZINC000408572045	570204862	/nfs/dbraw/zinc/20/48/62/570204862.db2.gz	QMYPCZKGSNZDGJ-AHNGBTAHSA-N	1	2	491.519	4.372	40	5		JIBBLO
CCOc1cc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F	ZINC000408572045	570204863	/nfs/dbraw/zinc/20/48/63/570204863.db2.gz	QMYPCZKGSNZDGJ-AHNGBTAHSA-N	1	2	491.519	4.372	40	5		JIBBLO
C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)C([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccccc1Cl	ZINC000408572612	570205013	/nfs/dbraw/zinc/20/50/13/570205013.db2.gz	RLYFWQJENXDLPS-UWSFRGMNSA-N	1	2	463.921	4.487	40	5		JIBBLO
O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1	ZINC000225536952	570003621	/nfs/dbraw/zinc/00/36/21/570003621.db2.gz	WKBVGZKOMXKJCH-UHFFFAOYSA-N	1	2	453.539	4.146	40	5		JIBBLO
COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc([N+](=O)[O-])c1O	ZINC000261366157	570169337	/nfs/dbraw/zinc/16/93/37/570169337.db2.gz	XQXPFTOFNFECOQ-QFIPXVFZSA-O	1	2	490.521	4.024	40	5		JIBBLO
CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc([N+](=O)[O-])ccc1OCC	ZINC000261365993	570169394	/nfs/dbraw/zinc/16/93/94/570169394.db2.gz	WUZHJMUJVULCBN-HSZRJFAPSA-O	1	2	496.569	4.249	40	5		JIBBLO
CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)ccc1OCc1ccccc1	ZINC000408570081	570204582	/nfs/dbraw/zinc/20/45/82/570204582.db2.gz	YPLAPUSNCQBVQH-KTIISADKSA-N	1	2	473.529	4.233	40	5		JIBBLO
CCOc1cc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1	ZINC000408570081	570204583	/nfs/dbraw/zinc/20/45/83/570204583.db2.gz	YPLAPUSNCQBVQH-KTIISADKSA-N	1	2	473.529	4.233	40	5		JIBBLO