smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1	ZINC000020142786	957127300	/nfs/dbraw/zinc/12/73/00/957127300.db2.gz	GOEQYLLIXPIUBD-UHFFFAOYSA-N	-1	0	383.404	3.213	40	5		GGBBRM
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)cc1	ZINC000409170331	231174430	/nfs/dbraw/zinc/17/44/30/231174430.db2.gz	UWAFNUAOIAUYFM-UHFFFAOYSA-N	-1	0	399.432	3.135	40	5		GGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCCOc3ccccc3)cc2)[nH]1	ZINC000409310133	231189074	/nfs/dbraw/zinc/18/90/74/231189074.db2.gz	QVOUBUJYBKPSBH-FLIBITNWSA-N	-1	0	395.371	3.424	40	5		GGBBRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c([O-])cc3O)S2)cc1	ZINC000408783927	529689255	/nfs/dbraw/zinc/68/92/55/529689255.db2.gz	PGVAAWLHHFLUGC-CTJNPYBDSA-N	-1	0	387.417	3.168	40	5		GGBBRM
COc1ccc2c(c1)c(=O)c(C(=O)[O-])cn2CCCOc1ccc([N+](=O)[O-])cc1	ZINC000001746717	203918796	/nfs/dbraw/zinc/91/87/96/203918796.db2.gz	SKHLUPRHMHHBLS-UHFFFAOYSA-N	-1	0	398.371	3.086	40	5		GGBBRM
CC(=O)N1[C@H](c2ccc([N+](=O)[O-])cc2)c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-]	ZINC000005378133	204129984	/nfs/dbraw/zinc/12/99/84/204129984.db2.gz	ZHEBHXUMNWAOAF-PKOBYXMFSA-N	-1	0	379.372	3.023	40	5		GGBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Cl)c1OCC	ZINC000010013970	204328357	/nfs/dbraw/zinc/32/83/57/204328357.db2.gz	BMOQTVWONCFEMK-AATRIKPKSA-N	-1	0	381.772	3.005	40	5		GGBBRM
CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128353	205006995	/nfs/dbraw/zinc/00/69/95/205006995.db2.gz	SCWWAYWLUYOKRM-OMXAPOSASA-N	-1	0	389.408	3.050	40	5		GGBBRM
O=C(/C=C/c1cccc2ccccc12)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000059368845	205177999	/nfs/dbraw/zinc/17/79/99/205177999.db2.gz	ZATJOGCPADRTMV-JLHYYAGUSA-N	-1	0	396.424	3.407	40	5		GGBBRM
CC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000071979888	205301594	/nfs/dbraw/zinc/30/15/94/205301594.db2.gz	NNJZHSKOPSZOAP-DPBGWIHLSA-N	-1	0	382.800	3.080	40	5		GGBBRM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1	ZINC000048367299	205667476	/nfs/dbraw/zinc/66/74/76/205667476.db2.gz	OPDAKVQVRWTZOZ-UHFFFAOYSA-N	-1	0	392.311	3.303	40	5		GGBBRM
Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])s2)cc1	ZINC000224029659	206011059	/nfs/dbraw/zinc/01/10/59/206011059.db2.gz	YGRTXOKYGWKJFH-UHFFFAOYSA-N	-1	0	376.419	3.223	40	5		GGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2C)cc1[N+](=O)[O-]	ZINC000224778163	206027540	/nfs/dbraw/zinc/02/75/40/206027540.db2.gz	BAMDFOUZASQSNB-UHFFFAOYSA-N	-1	0	398.824	3.145	40	5		GGBBRM
COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2OC)cc1[N+](=O)[O-]	ZINC000020142485	221474951	/nfs/dbraw/zinc/47/49/51/221474951.db2.gz	WNEJFQWZXFOBDE-UHFFFAOYSA-N	-1	0	380.740	3.216	40	5		GGBBRM
COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409229067	533471152	/nfs/dbraw/zinc/47/11/52/533471152.db2.gz	JGVLUEJIBAAEET-WUXMJOGZSA-N	-1	0	389.751	3.060	40	5		GGBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1[O-]	ZINC000409229023	528336642	/nfs/dbraw/zinc/33/66/42/528336642.db2.gz	INUANOSUICKQSC-CXUHLZMHSA-N	-1	0	397.387	3.100	40	5		GGBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c1[O-]	ZINC000409038785	528337281	/nfs/dbraw/zinc/33/72/81/528337281.db2.gz	FQSBRRYNICWCKN-GDNBJRDFSA-N	-1	0	399.428	3.304	40	5		GGBBRM
CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000225147998	528538804	/nfs/dbraw/zinc/53/88/04/528538804.db2.gz	QVOFBMWKYUXTMD-UHFFFAOYSA-N	-1	0	393.446	3.353	40	5		GGBBRM
O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000001634305	564185474	/nfs/dbraw/zinc/18/54/74/564185474.db2.gz	UNPVQOIEQQBGHB-UHFFFAOYSA-N	-1	0	384.129	3.157	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000005579357	564217695	/nfs/dbraw/zinc/21/76/95/564217695.db2.gz	FRXWDMJUQLWABC-UHFFFAOYSA-N	-1	0	375.431	3.249	40	5		GGBBRM
COc1cc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(OC)cc1Cl	ZINC000216434852	565895374	/nfs/dbraw/zinc/89/53/74/565895374.db2.gz	CWGONJBAVZGHAE-UHFFFAOYSA-N	-1	0	386.813	3.207	40	5		GGBBRM
Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1C(=O)[O-]	ZINC000006571303	570480084	/nfs/dbraw/zinc/48/00/84/570480084.db2.gz	JIMNKXYNLQAPLQ-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
Cc1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)[O-]	ZINC000006571312	570480165	/nfs/dbraw/zinc/48/01/65/570480165.db2.gz	PYMZWQCWUNZLFI-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1[O-]	ZINC000222569864	570747111	/nfs/dbraw/zinc/74/71/11/570747111.db2.gz	ITPZVXAEJWRNAU-JQAFLVLXSA-N	-1	0	386.433	3.293	40	5		GGBBRM
COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1[O-]	ZINC000222569925	570747352	/nfs/dbraw/zinc/74/73/52/570747352.db2.gz	ITPZVXAEJWRNAU-CIISACIHSA-N	-1	0	386.433	3.293	40	5		GGBBRM
CCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000014031073	570876384	/nfs/dbraw/zinc/87/63/84/570876384.db2.gz	VHVQGBOAUPAVDC-UHFFFAOYSA-N	-1	0	375.406	3.216	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C	ZINC000014397109	570882712	/nfs/dbraw/zinc/88/27/12/570882712.db2.gz	PROSVLVMZYIQQH-UHFFFAOYSA-N	-1	0	391.449	3.232	40	5		GGBBRM
CC(C)COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000000854215	1398300584	/nfs/dbraw/zinc/30/05/84/1398300584.db2.gz	FFYWPJOLJWMFKQ-WOJGMQOQSA-N	-1	0	384.388	3.485	40	5		GGBBRM
O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1O	ZINC000020142792	1399342561	/nfs/dbraw/zinc/34/25/61/1399342561.db2.gz	LPFSCEPERFNKFI-UHFFFAOYSA-N	-1	0	385.376	3.241	40	5		GGBBRM
O=C([O-])Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	ZINC000020142592	1399342795	/nfs/dbraw/zinc/34/27/95/1399342795.db2.gz	HLNACWZRBRCKGR-UHFFFAOYSA-N	-1	0	383.404	3.465	40	5		GGBBRM
O=C([O-])c1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1O	ZINC000020142594	1399343242	/nfs/dbraw/zinc/34/32/42/1399343242.db2.gz	WGWDVHBBWYQXST-UHFFFAOYSA-N	-1	0	385.376	3.241	40	5		GGBBRM
CC(C)(C)c1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(C(C)(C)C)c1O	ZINC000107608984	1411392241	/nfs/dbraw/zinc/39/22/41/1411392241.db2.gz	YZOOMDVSIAASMV-BQYQJAHWSA-N	-1	0	387.436	3.442	40	5		GGBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Br)c1	ZINC000100447597	231007170	/nfs/dbraw/zinc/00/71/70/231007170.db2.gz	VKFILBSQSMVKFH-UHFFFAOYSA-N	-1	0	396.222	3.190	40	5		GGBBRM
Cc1noc(/C=C\c2cc(Br)ccc2OCC(=O)[O-])c1[N+](=O)[O-]	ZINC000408544476	231055904	/nfs/dbraw/zinc/05/59/04/231055904.db2.gz	UBAKFCHRFQKFGM-RQOWECAXSA-N	-1	0	383.154	3.288	40	5		GGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2coc3c(Cl)cc(Cl)cc3c2=O)[nH]1	ZINC000409377901	231197669	/nfs/dbraw/zinc/19/76/69/231197669.db2.gz	KFSLDFBEZQMQFF-OWOJBTEDSA-N	-1	0	396.142	3.380	40	5		GGBBRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c([O-])cc3O)S2)cc1	ZINC000408783924	529689989	/nfs/dbraw/zinc/68/99/89/529689989.db2.gz	PGVAAWLHHFLUGC-BHCQIWIZSA-N	-1	0	387.417	3.168	40	5		GGBBRM
CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000239203311	206279643	/nfs/dbraw/zinc/27/96/43/206279643.db2.gz	SCWWAYWLUYOKRM-GDKCJGSASA-N	-1	0	389.408	3.050	40	5		GGBBRM
CC1CCN(c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2[N+](=O)[O-])CC1	ZINC000013091943	206967927	/nfs/dbraw/zinc/96/79/27/206967927.db2.gz	HDSRCKSYNLJCTC-UHFFFAOYSA-N	-1	0	397.431	3.459	40	5		GGBBRM
O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1O	ZINC000020142790	207180184	/nfs/dbraw/zinc/18/01/84/207180184.db2.gz	OCHOBKVTZDBSIS-UHFFFAOYSA-N	-1	0	385.376	3.241	40	5		GGBBRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000020461648	207196524	/nfs/dbraw/zinc/19/65/24/207196524.db2.gz	JDKXXHZROKNUSB-UHFFFAOYSA-N	-1	0	384.797	3.226	40	5		GGBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1[O-]	ZINC000409065726	533132859	/nfs/dbraw/zinc/13/28/59/533132859.db2.gz	JFRANORTSBJJQF-AWNIVKPZSA-N	-1	0	389.751	3.060	40	5		GGBBRM
COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2s1	ZINC000223251243	208896820	/nfs/dbraw/zinc/89/68/20/208896820.db2.gz	PCYWFUFYZXMMAG-UHFFFAOYSA-N	-1	0	392.414	3.397	40	5		GGBBRM
Cc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224778576	208933070	/nfs/dbraw/zinc/93/30/70/208933070.db2.gz	SKNWHQDZQNDTDG-UHFFFAOYSA-N	-1	0	398.824	3.145	40	5		GGBBRM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCC1	ZINC000016121460	221356966	/nfs/dbraw/zinc/35/69/66/221356966.db2.gz	MBZRDTKVYQQBSL-UHFFFAOYSA-N	-1	0	389.433	3.022	40	5		GGBBRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016400899	221362489	/nfs/dbraw/zinc/36/24/89/221362489.db2.gz	WXMQWLNEENEXIL-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000409237144	533910939	/nfs/dbraw/zinc/91/09/39/533910939.db2.gz	JOYCVYMKKAYVTF-VGOFMYFVSA-N	-1	0	387.779	3.355	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)o1	ZINC000409130977	534332125	/nfs/dbraw/zinc/33/21/25/534332125.db2.gz	OSDRKMRHKUZZCS-VGOFMYFVSA-N	-1	0	388.357	3.284	40	5		GGBBRM
O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000408560475	534497582	/nfs/dbraw/zinc/49/75/82/534497582.db2.gz	CVGXEQVYADYERB-UHFFFAOYSA-N	-1	0	379.372	3.464	40	5		GGBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCC	ZINC000409309136	528199957	/nfs/dbraw/zinc/19/99/57/528199957.db2.gz	BZQUWENYLZXGML-WAYWQWQTSA-N	-1	0	381.772	3.417	40	5		GGBBRM
CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1Cl	ZINC000408624826	528395855	/nfs/dbraw/zinc/39/58/55/528395855.db2.gz	CIFOJSIHKCVWTM-UHFFFAOYSA-N	-1	0	395.824	3.479	40	5		GGBBRM
Cc1cccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(Br)cc3)[n+]2[O-])c1	ZINC000004821927	564207386	/nfs/dbraw/zinc/20/73/86/564207386.db2.gz	YUAHOGCFGNUWBG-UHFFFAOYSA-N	-1	0	390.197	3.228	40	5		GGBBRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000007053269	564231628	/nfs/dbraw/zinc/23/16/28/564231628.db2.gz	ZOYIHVZIXNJNOO-UHFFFAOYSA-N	-1	0	387.211	3.167	40	5		GGBBRM
COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl	ZINC000012946945	564272516	/nfs/dbraw/zinc/27/25/16/564272516.db2.gz	JURYDYKVADLLRV-UHFFFAOYSA-N	-1	0	384.797	3.144	40	5		GGBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000216375808	565895747	/nfs/dbraw/zinc/89/57/47/565895747.db2.gz	VOHQNFCFCAOVRF-UHFFFAOYSA-N	-1	0	384.797	3.226	40	5		GGBBRM
Cc1ccc(S(=O)(=O)[N-]c2nnc(SCC(C)C)s2)cc1[N+](=O)[O-]	ZINC000223264762	565907699	/nfs/dbraw/zinc/90/76/99/565907699.db2.gz	FINQPRXAKKDXHE-UHFFFAOYSA-N	-1	0	388.496	3.304	40	5		GGBBRM
CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071980431	570306678	/nfs/dbraw/zinc/30/66/78/570306678.db2.gz	MQPZUULEJVHATM-FXUPRZHBSA-N	-1	0	390.436	3.453	40	5		GGBBRM
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000102674480	570380319	/nfs/dbraw/zinc/38/03/19/570380319.db2.gz	JFMKUABNQSWPOK-IYBDPMFKSA-N	-1	0	392.455	3.162	40	5		GGBBRM
Cc1c(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000006571305	570480033	/nfs/dbraw/zinc/48/00/33/570480033.db2.gz	OHLGIKMGIPBEDV-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
Cc1c(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000006571291	570480238	/nfs/dbraw/zinc/48/02/38/570480238.db2.gz	ANYSPIAYGCERTF-CMDGGOBGSA-N	-1	0	385.401	3.128	40	5		GGBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000006613964	570504225	/nfs/dbraw/zinc/50/42/25/570504225.db2.gz	HOWHBJKURQLNQP-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
CC(C)(C)OC(=O)NCCCC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000008076207	570522075	/nfs/dbraw/zinc/52/20/75/570522075.db2.gz	HOKFYJVBDQVJGZ-LBPRGKRZSA-N	-1	0	399.469	3.340	40	5		GGBBRM
CC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005378161	570567099	/nfs/dbraw/zinc/56/70/99/570567099.db2.gz	ZHEBHXUMNWAOAF-IEBWSBKVSA-N	-1	0	379.372	3.023	40	5		GGBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1	ZINC000007323340	570829397	/nfs/dbraw/zinc/82/93/97/570829397.db2.gz	UDSKVFKNQROQBO-UHFFFAOYSA-N	-1	0	378.406	3.189	40	5		GGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2C)cc1[N+](=O)[O-]	ZINC000224778981	570967554	/nfs/dbraw/zinc/96/75/54/570967554.db2.gz	KXDHNKAIRXFWRI-UHFFFAOYSA-N	-1	0	398.824	3.145	40	5		GGBBRM
COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2s1	ZINC000223251776	570986177	/nfs/dbraw/zinc/98/61/77/570986177.db2.gz	OXJRFDMUJFJZTB-UHFFFAOYSA-N	-1	0	392.414	3.397	40	5		GGBBRM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000006361891	1398545450	/nfs/dbraw/zinc/54/54/50/1398545450.db2.gz	MZNRCAMPUDBVEA-UHFFFAOYSA-N	-1	0	391.449	3.234	40	5		GGBBRM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000006362040	1398545466	/nfs/dbraw/zinc/54/54/66/1398545466.db2.gz	NGPZKZKNPHCHHI-ZDUSSCGKSA-N	-1	0	391.449	3.232	40	5		GGBBRM
COc1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1Cl	ZINC000008209241	1398813982	/nfs/dbraw/zinc/81/39/82/1398813982.db2.gz	XNWGJTFNKLNARE-HWKANZROSA-N	-1	0	389.751	3.064	40	5		GGBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000010112381	1398875843	/nfs/dbraw/zinc/87/58/43/1398875843.db2.gz	GCABOCSIHCECTP-UHFFFAOYSA-N	-1	0	378.406	3.189	40	5		GGBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000047339307	1404810732	/nfs/dbraw/zinc/81/07/32/1404810732.db2.gz	JMOQXTHXGNEJOT-UHFFFAOYSA-N	-1	0	391.449	3.232	40	5		GGBBRM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2	ZINC000059498284	1407923472	/nfs/dbraw/zinc/92/34/72/1407923472.db2.gz	WXZJPEANUIUWCQ-UHFFFAOYSA-N	-1	0	396.446	3.123	40	5		GGBBRM
COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1OC	ZINC000100848885	1410439543	/nfs/dbraw/zinc/43/95/43/1410439543.db2.gz	IDUCOQQKMKDLIN-INIZCTEOSA-N	-1	0	383.404	3.312	40	5		GGBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000216310754	1433363382	/nfs/dbraw/zinc/36/33/82/1433363382.db2.gz	CHVGFWMXLDAHLM-UHFFFAOYSA-N	-1	0	398.400	3.043	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(C(C)C)cc1	ZINC000225072016	1433366733	/nfs/dbraw/zinc/36/67/33/1433366733.db2.gz	WLFYPXYUXZARHP-UHFFFAOYSA-N	-1	0	392.433	3.307	40	5		GGBBRM
CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862424	1433369138	/nfs/dbraw/zinc/36/91/38/1433369138.db2.gz	MXNPVGHMQCNVRK-UHFFFAOYSA-N	-1	0	382.369	3.037	40	5		GGBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cc1	ZINC000100446491	231007154	/nfs/dbraw/zinc/00/71/54/231007154.db2.gz	TVACDTLEHKXZTK-UHFFFAOYSA-N	-1	0	396.222	3.190	40	5		GGBBRM
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000408623028	231084431	/nfs/dbraw/zinc/08/44/31/231084431.db2.gz	QPEJAPOAWJYZNU-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
COc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000409376202	231197234	/nfs/dbraw/zinc/19/72/34/231197234.db2.gz	VWXMCYYIQSEECD-UHFFFAOYSA-N	-1	0	395.165	3.316	40	5		GGBBRM
CN1C(=O)c2cccc3c(-c4cccc(C(=O)[O-])c4)c([N+](=O)[O-])cc(c32)C1=O	ZINC000409002410	530046593	/nfs/dbraw/zinc/04/65/93/530046593.db2.gz	UMYXSKFJMBNWJF-UHFFFAOYSA-N	-1	0	376.324	3.339	40	5		GGBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)cc3)n2)c1	ZINC000006270374	212068792	/nfs/dbraw/zinc/06/87/92/212068792.db2.gz	DBKQTADCJKNFSF-UHFFFAOYSA-N	-1	0	392.824	3.294	40	5		GGBBRM
Cc1cc(C)c(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	ZINC000224783489	211873302	/nfs/dbraw/zinc/87/33/02/211873302.db2.gz	AFEKFVNPAZSIKN-UHFFFAOYSA-N	-1	0	392.433	3.108	40	5		GGBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000006882742	211628781	/nfs/dbraw/zinc/62/87/81/211628781.db2.gz	MBLSBRUQIFOROJ-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
O=C([O-])c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000006615182	211628127	/nfs/dbraw/zinc/62/81/27/211628127.db2.gz	FNTVQHQOEANVRL-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
O=C(C=C([O-])c1ccc([N+](=O)[O-])cc1)CCCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000104274250	211434527	/nfs/dbraw/zinc/43/45/27/211434527.db2.gz	FYJLNWCDAWXIGG-UHFFFAOYSA-N	-1	0	399.359	3.454	40	5		GGBBRM
CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071980434	211067188	/nfs/dbraw/zinc/06/71/88/211067188.db2.gz	UZDMFMSFJUWRGY-CZDRUDQFSA-N	-1	0	390.436	3.453	40	5		GGBBRM
COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc([N+](=O)[O-])c1[O-]	ZINC000409091131	533470166	/nfs/dbraw/zinc/47/01/66/533470166.db2.gz	PMRQBMJYJSELFS-ZROIWOOFSA-N	-1	0	391.449	3.042	40	5		GGBBRM
CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000225147946	528538953	/nfs/dbraw/zinc/53/89/53/528538953.db2.gz	LZWCWEYBWWPYPM-UHFFFAOYSA-N	-1	0	393.446	3.353	40	5		GGBBRM
CC(C)n1c(=O)sc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000225147399	528539078	/nfs/dbraw/zinc/53/90/78/528539078.db2.gz	HFDNXMLSTIOHCK-UHFFFAOYSA-N	-1	0	393.446	3.353	40	5		GGBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000006882744	564229231	/nfs/dbraw/zinc/22/92/31/564229231.db2.gz	JUXLCJVNNNNWHG-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21	ZINC000223525680	570303931	/nfs/dbraw/zinc/30/39/31/570303931.db2.gz	XYEJIBVTYFBLSG-UHFFFAOYSA-N	-1	0	389.433	3.003	40	5		GGBBRM
Cc1cc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000016283163	570322026	/nfs/dbraw/zinc/32/20/26/570322026.db2.gz	OTTBTQSKBSJHLT-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
CCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000408627721	570388176	/nfs/dbraw/zinc/38/81/76/570388176.db2.gz	NFUHGSWBPPUAJS-UHFFFAOYSA-N	-1	0	375.406	3.216	40	5		GGBBRM
CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000408627759	570388237	/nfs/dbraw/zinc/38/82/37/570388237.db2.gz	NLEFVRWYIJBLLN-UHFFFAOYSA-N	-1	0	375.406	3.214	40	5		GGBBRM
O=C([N-]N1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408762523	570393355	/nfs/dbraw/zinc/39/33/55/570393355.db2.gz	OQLQPMJIBFWUID-ZROIWOOFSA-N	-1	0	387.348	3.115	40	5		GGBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1	ZINC000006546811	570471864	/nfs/dbraw/zinc/47/18/64/570471864.db2.gz	BXMZXYYXCHGKFM-SOFGYWHQSA-N	-1	0	385.401	3.128	40	5		GGBBRM
CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128355	570545929	/nfs/dbraw/zinc/54/59/29/570545929.db2.gz	SCWWAYWLUYOKRM-MNRXQERYSA-N	-1	0	389.408	3.050	40	5		GGBBRM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000007363380	570833941	/nfs/dbraw/zinc/83/39/41/570833941.db2.gz	IUTLPORQLSFXJD-CYBMUJFWSA-N	-1	0	391.449	3.232	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCC(C)C	ZINC000014400843	570891846	/nfs/dbraw/zinc/89/18/46/570891846.db2.gz	QPNBTEFWEZUJST-UHFFFAOYSA-N	-1	0	391.449	3.090	40	5		GGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-]	ZINC000224767355	570966305	/nfs/dbraw/zinc/96/63/05/570966305.db2.gz	DUYRPBKKNCYQJA-UHFFFAOYSA-N	-1	0	392.433	3.307	40	5		GGBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000044901133	570981380	/nfs/dbraw/zinc/98/13/80/570981380.db2.gz	FRCHBKCGHRGELG-UHFFFAOYSA-N	-1	0	398.400	3.043	40	5		GGBBRM
Cc1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000013381907	1399080033	/nfs/dbraw/zinc/08/00/33/1399080033.db2.gz	XHSLPTLIIMAUFM-ZZXKWVIFSA-N	-1	0	384.304	3.443	40	5		GGBBRM
COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1	ZINC000100848890	1410439608	/nfs/dbraw/zinc/43/96/08/1410439608.db2.gz	PAVXUKNZTCTCNJ-KRWDZBQOSA-N	-1	0	383.404	3.312	40	5		GGBBRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Cl	ZINC000226821084	1433369084	/nfs/dbraw/zinc/36/90/84/1433369084.db2.gz	LZJLVBZWMTYVDK-UHFFFAOYSA-N	-1	0	378.797	3.301	40	5		GGBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1	ZINC000020142842	948790921	/nfs/dbraw/zinc/79/09/21/948790921.db2.gz	VSGXKAIGKKOXMG-UHFFFAOYSA-N	-1	0	399.403	3.487	40	5		GGBBRM
Cc1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000409323483	231189831	/nfs/dbraw/zinc/18/98/31/231189831.db2.gz	PDMRPQSWNIKEAA-XQRVVYSFSA-N	-1	0	384.304	3.443	40	5		GGBBRM
O=C([O-])c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000013053729	221259140	/nfs/dbraw/zinc/25/91/40/221259140.db2.gz	IZMBXPYSTQWZFG-UHFFFAOYSA-N	-1	0	384.266	3.329	40	5		GGBBRM
O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000013187127	221263392	/nfs/dbraw/zinc/26/33/92/221263392.db2.gz	LHMGETWBYGGFJV-UHFFFAOYSA-N	-1	0	384.266	3.329	40	5		GGBBRM
Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016347838	221360719	/nfs/dbraw/zinc/36/07/19/221360719.db2.gz	WBGHMXVWHKTNHY-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408796635	533475967	/nfs/dbraw/zinc/47/59/67/533475967.db2.gz	BEHZCYNIMZPNHD-UHFFFAOYSA-N	-1	0	390.372	3.211	40	5		GGBBRM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000022535357	221564202	/nfs/dbraw/zinc/56/42/02/221564202.db2.gz	QRAZDDDACHSLMC-UHFFFAOYSA-N	-1	0	391.449	3.067	40	5		GGBBRM
CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000071979939	222202798	/nfs/dbraw/zinc/20/27/98/222202798.db2.gz	GXEAOBYVVFTIAU-FBUIMKQZSA-N	-1	0	382.800	3.080	40	5		GGBBRM
CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000071979889	222203327	/nfs/dbraw/zinc/20/33/27/222203327.db2.gz	NNJZHSKOPSZOAP-FBUIMKQZSA-N	-1	0	382.800	3.080	40	5		GGBBRM
Cc1ccc(-c2nn(CC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c(=S)o2)cc1	ZINC000409155907	534222905	/nfs/dbraw/zinc/22/29/05/534222905.db2.gz	DZQGNKLGXOTJGB-UHFFFAOYSA-N	-1	0	386.389	3.434	40	5		GGBBRM
O=C([O-])c1cc(Cl)c(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000226354513	534543582	/nfs/dbraw/zinc/54/35/82/534543582.db2.gz	CAMJGQSSEWCFGH-UHFFFAOYSA-N	-1	0	391.188	3.401	40	5		GGBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	ZINC000001738101	564186856	/nfs/dbraw/zinc/18/68/56/564186856.db2.gz	DVKIJDBYSNYSLZ-UHFFFAOYSA-N	-1	0	384.797	3.226	40	5		GGBBRM
O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000006615597	564224985	/nfs/dbraw/zinc/22/49/85/564224985.db2.gz	WWHWJYDSFJUIMX-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000006615257	564225101	/nfs/dbraw/zinc/22/51/01/564225101.db2.gz	WUVBGJSECLWTRQ-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000020456853	564307086	/nfs/dbraw/zinc/30/70/86/564307086.db2.gz	MDLWXIKRJSGGLL-UHFFFAOYSA-N	-1	0	384.797	3.226	40	5		GGBBRM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1	ZINC000045712567	564487799	/nfs/dbraw/zinc/48/77/99/564487799.db2.gz	RGDPRCYJFSJURG-UHFFFAOYSA-N	-1	0	384.797	3.144	40	5		GGBBRM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1	ZINC000223841325	565910075	/nfs/dbraw/zinc/91/00/75/565910075.db2.gz	GFAAIOCFDDXQGV-UHFFFAOYSA-N	-1	0	384.797	3.144	40	5		GGBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(cc1OC)CCCC2	ZINC000223433220	570247178	/nfs/dbraw/zinc/24/71/78/570247178.db2.gz	BKRWJKUKTNUONA-UHFFFAOYSA-N	-1	0	392.433	3.292	40	5		GGBBRM
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1	ZINC000006176957	570281824	/nfs/dbraw/zinc/28/18/24/570281824.db2.gz	CSHWGZREXSVZND-UHFFFAOYSA-N	-1	0	389.433	3.022	40	5		GGBBRM
CCOc1ccccc1[N-]c1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-]	ZINC000004822537	570290838	/nfs/dbraw/zinc/29/08/38/570290838.db2.gz	UTZUYDNCZGNMSE-UHFFFAOYSA-N	-1	0	375.772	3.210	40	5		GGBBRM
O=C(c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCCC1	ZINC000014225834	570297179	/nfs/dbraw/zinc/29/71/79/570297179.db2.gz	DJBSEARLBVSQKS-UHFFFAOYSA-N	-1	0	389.433	3.022	40	5		GGBBRM
Cc1cc([N+](=O)[O-])ccc1[N-]c1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-]	ZINC000016282759	570322030	/nfs/dbraw/zinc/32/20/30/570322030.db2.gz	UEMBIMFDEWDEBF-UHFFFAOYSA-N	-1	0	390.743	3.028	40	5		GGBBRM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc(Cl)c(Cl)c3)[n+]2[O-])cc1	ZINC000004924151	570370600	/nfs/dbraw/zinc/37/06/00/570370600.db2.gz	DZRWUEQLLUPPSX-UHFFFAOYSA-N	-1	0	396.190	3.473	40	5		GGBBRM
CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128349	570544594	/nfs/dbraw/zinc/54/45/94/570544594.db2.gz	SCWWAYWLUYOKRM-ANTHHZPCSA-N	-1	0	389.408	3.050	40	5		GGBBRM
CC(=O)N1[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005378129	570567270	/nfs/dbraw/zinc/56/72/70/570567270.db2.gz	ZHEBHXUMNWAOAF-HKUYNNGSSA-N	-1	0	379.372	3.023	40	5		GGBBRM
Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	ZINC000006846515	570641924	/nfs/dbraw/zinc/64/19/24/570641924.db2.gz	ACAAPBIJSRXYTN-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1[O-]	ZINC000222569796	570747268	/nfs/dbraw/zinc/74/72/68/570747268.db2.gz	ITPZVXAEJWRNAU-AMKSKSKJSA-N	-1	0	386.433	3.293	40	5		GGBBRM
O=c1nc2n(-c3ccc4ccccc4c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000002476253	1398311854	/nfs/dbraw/zinc/31/18/54/1398311854.db2.gz	YHGSCZGOJGIBEX-UHFFFAOYSA-N	-1	0	384.351	3.240	40	5		GGBBRM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000006362015	1398545371	/nfs/dbraw/zinc/54/53/71/1398545371.db2.gz	NGPZKZKNPHCHHI-CYBMUJFWSA-N	-1	0	391.449	3.232	40	5		GGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)[nH]1	ZINC000008377684	1398827629	/nfs/dbraw/zinc/82/76/29/1398827629.db2.gz	YEFIHBAQHNAKFL-GORDUTHDSA-N	-1	0	377.715	3.194	40	5		GGBBRM
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc(C(=O)[O-])c1O	ZINC000020142971	1399343133	/nfs/dbraw/zinc/34/31/33/1399343133.db2.gz	ZUTXVDUBCWOJIQ-UHFFFAOYSA-N	-1	0	385.376	3.160	40	5		GGBBRM
O=C([N-]c1nnc(CCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000059498688	1407923310	/nfs/dbraw/zinc/92/33/10/1407923310.db2.gz	YWTHBOHFMCGJNB-UHFFFAOYSA-N	-1	0	399.388	3.392	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cccc(Cl)c1C	ZINC000225082312	1433366838	/nfs/dbraw/zinc/36/68/38/1433366838.db2.gz	UXYHQTRCEWQUBW-UHFFFAOYSA-N	-1	0	398.824	3.145	40	5		GGBBRM
CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862434	1433369147	/nfs/dbraw/zinc/36/91/47/1433369147.db2.gz	NVNGIEAPVMTIOH-UHFFFAOYSA-N	-1	0	396.396	3.428	40	5		GGBBRM
Cc1cc(/C=C/C(=O)[O-])cc(C)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000256049846	1433893041	/nfs/dbraw/zinc/89/30/41/1433893041.db2.gz	BSINTAKMMFZARL-FPYGCLRLSA-N	-1	0	377.374	3.077	40	5		GGBBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)o1	ZINC000409123433	231167063	/nfs/dbraw/zinc/16/70/63/231167063.db2.gz	GGFSSCCZWQTIQZ-AUWJEWJLSA-N	-1	0	388.357	3.284	40	5		GGBBRM
Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)o2)cc1[N+](=O)[O-]	ZINC000409142146	231171357	/nfs/dbraw/zinc/17/13/57/231171357.db2.gz	LLWMRNFBTPNBBH-VGOFMYFVSA-N	-1	0	388.357	3.284	40	5		GGBBRM
Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)c1	ZINC000409232583	231184658	/nfs/dbraw/zinc/18/46/58/231184658.db2.gz	RLBCGWAHMHEHOD-VGOFMYFVSA-N	-1	0	387.779	3.355	40	5		GGBBRM
CN1C(=O)c2cccc3c(-c4ccc(C(=O)[O-])cc4)c([N+](=O)[O-])cc(c32)C1=O	ZINC000409000270	530046518	/nfs/dbraw/zinc/04/65/18/530046518.db2.gz	YETLGLIHPTXJCZ-UHFFFAOYSA-N	-1	0	376.324	3.339	40	5		GGBBRM
Cc1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])cc1Br	ZINC000004821914	204079697	/nfs/dbraw/zinc/07/96/97/204079697.db2.gz	HWYPYQTVYNRTCI-UHFFFAOYSA-N	-1	0	390.197	3.228	40	5		GGBBRM
O=C([O-])[C@H](CSC(=O)c1ccccc1)NSc1ccccc1[N+](=O)[O-]	ZINC000031719566	204905080	/nfs/dbraw/zinc/90/50/80/204905080.db2.gz	FWWNERPAMFOVOH-LBPRGKRZSA-N	-1	0	378.431	3.218	40	5		GGBBRM
CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000036128351	205007407	/nfs/dbraw/zinc/00/74/07/205007407.db2.gz	SCWWAYWLUYOKRM-SIMVJXQJSA-N	-1	0	389.408	3.050	40	5		GGBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000044849450	205087333	/nfs/dbraw/zinc/08/73/33/205087333.db2.gz	IIHXCDRAEZUKHQ-UHFFFAOYSA-N	-1	0	384.797	3.226	40	5		GGBBRM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SCc1ccc([N+](=O)[O-])cc1	ZINC000068569570	205272548	/nfs/dbraw/zinc/27/25/48/205272548.db2.gz	YIRHWLHDBKFRIQ-UHFFFAOYSA-N	-1	0	379.306	3.402	40	5		GGBBRM
O=C1S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)N1c1ccccc1	ZINC000008398641	205795232	/nfs/dbraw/zinc/79/52/32/205795232.db2.gz	UHDOGMFMIUYZPC-QPEQYQDCSA-N	-1	0	387.329	3.450	40	5		GGBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000006884452	205820832	/nfs/dbraw/zinc/82/08/32/205820832.db2.gz	HSXJXRGJAZWUPI-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
O=C([O-])c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000006615595	205821551	/nfs/dbraw/zinc/82/15/51/205821551.db2.gz	IYCJRGVYGLNBKE-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1Cl	ZINC000223830400	206007898	/nfs/dbraw/zinc/00/78/98/206007898.db2.gz	JOJMSWRDUOGWLX-UHFFFAOYSA-N	-1	0	384.797	3.144	40	5		GGBBRM
Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	ZINC000223455036	206000728	/nfs/dbraw/zinc/00/07/28/206000728.db2.gz	DSHKLRDJYDTWRE-UHFFFAOYSA-N	-1	0	376.419	3.223	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(Cl)cc1C	ZINC000225081596	206035737	/nfs/dbraw/zinc/03/57/37/206035737.db2.gz	MADQFJABHAJAHG-UHFFFAOYSA-N	-1	0	398.824	3.145	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1	ZINC000225362074	206044136	/nfs/dbraw/zinc/04/41/36/206044136.db2.gz	IUXLYQNHVSBKQP-UHFFFAOYSA-N	-1	0	376.419	3.223	40	5		GGBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Cl)c1OCC	ZINC000033712218	206097806	/nfs/dbraw/zinc/09/78/06/206097806.db2.gz	BMOQTVWONCFEMK-WAYWQWQTSA-N	-1	0	381.772	3.005	40	5		GGBBRM
CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409251799	528194567	/nfs/dbraw/zinc/19/45/67/528194567.db2.gz	QHOHQAIJOQNBLZ-OVCLIPMQSA-N	-1	0	397.387	3.100	40	5		GGBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000006883011	564229060	/nfs/dbraw/zinc/22/90/60/564229060.db2.gz	CWCLEOYYGLWJPQ-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(Br)cc2)c1	ZINC000013187080	564274672	/nfs/dbraw/zinc/27/46/72/564274672.db2.gz	DPDUSDBTSWTGMR-UHFFFAOYSA-N	-1	0	395.165	3.073	40	5		GGBBRM
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000013346022	564276418	/nfs/dbraw/zinc/27/64/18/564276418.db2.gz	IYIJMXUQCCNGIS-FPYGCLRLSA-N	-1	0	382.781	3.147	40	5		GGBBRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000016399800	564294021	/nfs/dbraw/zinc/29/40/21/564294021.db2.gz	WPCLCSTZZQTKEI-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1Cl	ZINC000408627211	565615155	/nfs/dbraw/zinc/61/51/55/565615155.db2.gz	LHDBTQYDHHTYBW-UHFFFAOYSA-N	-1	0	381.797	3.089	40	5		GGBBRM
Cc1oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2c1C(=O)[O-]	ZINC000011615812	570236128	/nfs/dbraw/zinc/23/61/28/570236128.db2.gz	CHFFDFWSSXCSSS-UHFFFAOYSA-N	-1	0	390.373	3.457	40	5		GGBBRM
COc1cc(C(=O)Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1OC	ZINC000006187472	570310149	/nfs/dbraw/zinc/31/01/49/570310149.db2.gz	NXTOYQUCOXKVDE-UHFFFAOYSA-N	-1	0	389.389	3.429	40	5		GGBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1[N+](=O)[O-]	ZINC000006362257	570396653	/nfs/dbraw/zinc/39/66/53/570396653.db2.gz	NATQZQIEKOEAED-UHFFFAOYSA-N	-1	0	391.449	3.090	40	5		GGBBRM
CCCCOC(=O)c1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)cc1	ZINC000005385562	570570977	/nfs/dbraw/zinc/57/09/77/570570977.db2.gz	ZEBNJDXKGOXGNP-UHFFFAOYSA-N	-1	0	389.411	3.136	40	5		GGBBRM
CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)NC(=O)N1	ZINC000239203312	570823408	/nfs/dbraw/zinc/82/34/08/570823408.db2.gz	SCWWAYWLUYOKRM-JUKMUDQWSA-N	-1	0	389.408	3.050	40	5		GGBBRM
CC(C)COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000014030386	570876536	/nfs/dbraw/zinc/87/65/36/570876536.db2.gz	FWELERWXJCUERW-UHFFFAOYSA-N	-1	0	389.433	3.462	40	5		GGBBRM
O=C([O-])c1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1O	ZINC000020142596	1399342588	/nfs/dbraw/zinc/34/25/88/1399342588.db2.gz	SCARYASQQFVFPA-UHFFFAOYSA-N	-1	0	385.376	3.241	40	5		GGBBRM
COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)cc1OC	ZINC000100848886	1410439430	/nfs/dbraw/zinc/43/94/30/1410439430.db2.gz	IDUCOQQKMKDLIN-MRXNPFEDSA-N	-1	0	383.404	3.312	40	5		GGBBRM
COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc([N+](=O)[O-])c1[O-]	ZINC000260766036	1433895187	/nfs/dbraw/zinc/89/51/87/1433895187.db2.gz	ITPZVXAEJWRNAU-HPEXNQPKSA-N	-1	0	386.433	3.293	40	5		GGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)[nH]1	ZINC000409310662	231189060	/nfs/dbraw/zinc/18/90/60/231189060.db2.gz	CDHAIBSUXGXBLA-XVNBXDOJSA-N	-1	0	397.303	3.062	40	5		GGBBRM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1[O-]	ZINC000014246935	207017640	/nfs/dbraw/zinc/01/76/40/207017640.db2.gz	ZXYKMECWHVVVDB-UHFFFAOYSA-N	-1	0	394.739	3.356	40	5		GGBBRM
COc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)o2)c([N+](=O)[O-])c1	ZINC000020140658	207179112	/nfs/dbraw/zinc/17/91/12/207179112.db2.gz	SYBQJOYJXRHFQV-UHFFFAOYSA-N	-1	0	396.355	3.492	40	5		GGBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)[O-])c(O)c2)CC1	ZINC000020142840	207180347	/nfs/dbraw/zinc/18/03/47/207180347.db2.gz	FNPNZDVNBVSXKY-UHFFFAOYSA-N	-1	0	399.403	3.487	40	5		GGBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000020142726	207180409	/nfs/dbraw/zinc/18/04/09/207180409.db2.gz	BUKNOFKTPDQYRH-UHFFFAOYSA-N	-1	0	385.376	3.154	40	5		GGBBRM
O=C([O-])Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1	ZINC000020142788	207180442	/nfs/dbraw/zinc/18/04/42/207180442.db2.gz	LGVMNSFFZGXZJM-UHFFFAOYSA-N	-1	0	383.404	3.465	40	5		GGBBRM
CC1CCN(c2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc2[N+](=O)[O-])CC1	ZINC000020142646	207180453	/nfs/dbraw/zinc/18/04/53/207180453.db2.gz	ODTQYLABQUFXSO-UHFFFAOYSA-N	-1	0	399.403	3.487	40	5		GGBBRM
CC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000071979938	207967249	/nfs/dbraw/zinc/96/72/49/207967249.db2.gz	GXEAOBYVVFTIAU-DPBGWIHLSA-N	-1	0	382.800	3.080	40	5		GGBBRM
O=C([O-])COc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc32)cc1	ZINC000096927506	208329426	/nfs/dbraw/zinc/32/94/26/208329426.db2.gz	GMERQPQPYPUZKT-UHFFFAOYSA-N	-1	0	384.304	3.258	40	5		GGBBRM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ncc(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000226248860	208473630	/nfs/dbraw/zinc/47/36/30/208473630.db2.gz	QFKAMLKSYIATLM-UHFFFAOYSA-N	-1	0	384.648	3.111	40	5		GGBBRM
COc1ccccc1-n1c2nc3ccc(C)cc3cc2cc2c(=O)[n-]c(=O)nc1-2	ZINC000041074097	209094145	/nfs/dbraw/zinc/09/41/45/209094145.db2.gz	VYQHZHNKFASDPK-UHFFFAOYSA-N	-1	0	384.395	3.044	40	5		GGBBRM
Cc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)[n-]c(=O)nc2-3)cc1Cl	ZINC000041076614	209092590	/nfs/dbraw/zinc/09/25/90/209092590.db2.gz	YCGLMXSBGBNSME-UHFFFAOYSA-N	-1	0	382.763	3.049	40	5		GGBBRM
COC(=O)c1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000409316679	533944665	/nfs/dbraw/zinc/94/46/65/533944665.db2.gz	ZIOAHDNSNOSPBU-VURMDHGXSA-N	-1	0	383.316	3.013	40	5		GGBBRM
O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000408561365	534497659	/nfs/dbraw/zinc/49/76/59/534497659.db2.gz	IJNLSJQWFBXGQT-UHFFFAOYSA-N	-1	0	379.372	3.464	40	5		GGBBRM
O=C1S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1CCOc1ccccc1	ZINC000106757083	534824799	/nfs/dbraw/zinc/82/47/99/534824799.db2.gz	ZBSLFCYBTYPASV-WJDWOHSUSA-N	-1	0	386.385	3.416	40	5		GGBBRM
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000007363457	528080248	/nfs/dbraw/zinc/08/02/48/528080248.db2.gz	XQVZFBKPDWVIHE-UHFFFAOYSA-N	-1	0	391.449	3.186	40	5		GGBBRM
COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)cc1Cl	ZINC000004299681	564202040	/nfs/dbraw/zinc/20/20/40/564202040.db2.gz	DGTWLLQLUFFYHU-UHFFFAOYSA-N	-1	0	386.813	3.375	40	5		GGBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000006615255	564225197	/nfs/dbraw/zinc/22/51/97/564225197.db2.gz	DSHMSFLPCSBMJT-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000009062511	564251503	/nfs/dbraw/zinc/25/15/03/564251503.db2.gz	GPUBOMUYEYCSCY-UHFFFAOYSA-N	-1	0	376.419	3.223	40	5		GGBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Br	ZINC000034931797	564415091	/nfs/dbraw/zinc/41/50/91/564415091.db2.gz	ALNXHEQSAOJZDW-UHFFFAOYSA-N	-1	0	396.222	3.190	40	5		GGBBRM
O=C([N-]N1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408758225	565614509	/nfs/dbraw/zinc/61/45/09/565614509.db2.gz	HRDIRKJUOIYHRP-WQLSENKSSA-N	-1	0	375.387	3.038	40	5		GGBBRM
Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000223233174	565907787	/nfs/dbraw/zinc/90/77/87/565907787.db2.gz	SEDNDGUHNGAUIE-UHFFFAOYSA-N	-1	0	376.419	3.223	40	5		GGBBRM
Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-]	ZINC000224579501	565910977	/nfs/dbraw/zinc/91/09/77/565910977.db2.gz	MPQLDPDIGKEPEK-UHFFFAOYSA-N	-1	0	376.419	3.223	40	5		GGBBRM
CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071980432	570306505	/nfs/dbraw/zinc/30/65/05/570306505.db2.gz	MQPZUULEJVHATM-CZDRUDQFSA-N	-1	0	390.436	3.453	40	5		GGBBRM
Cc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000016250146	570321597	/nfs/dbraw/zinc/32/15/97/570321597.db2.gz	AYUZZOKBSVVHEI-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
Cc1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000033928057	570647135	/nfs/dbraw/zinc/64/71/35/570647135.db2.gz	XHSLPTLIIMAUFM-UTCJRWHESA-N	-1	0	384.304	3.031	40	5		GGBBRM
COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1[O-]	ZINC000222569991	570747251	/nfs/dbraw/zinc/74/72/51/570747251.db2.gz	ITPZVXAEJWRNAU-HNHYXYPQSA-N	-1	0	386.433	3.293	40	5		GGBBRM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000007363382	570833933	/nfs/dbraw/zinc/83/39/33/570833933.db2.gz	IUTLPORQLSFXJD-ZDUSSCGKSA-N	-1	0	391.449	3.232	40	5		GGBBRM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)ccc1[O-]	ZINC000012544935	570846353	/nfs/dbraw/zinc/84/63/53/570846353.db2.gz	UYGNLPASRGMXAG-UHFFFAOYSA-N	-1	0	378.406	3.423	40	5		GGBBRM
O=c1[nH]c(C=Cc2ccccc2OCc2ccccc2F)nc([O-])c1[N+](=O)[O-]	ZINC000102653313	570855505	/nfs/dbraw/zinc/85/55/05/570855505.db2.gz	NPDYLQSCSXZYMW-KTKRTIGZSA-N	-1	0	383.335	3.272	40	5		GGBBRM
COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c2c(=O)n(-c3ccccc3)nc-2[n-]1	ZINC000104271735	570898869	/nfs/dbraw/zinc/89/88/69/570898869.db2.gz	MWQAVNHRXGJQPE-UHFFFAOYSA-N	-1	0	390.355	3.076	40	5		GGBBRM
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000014795870	570900031	/nfs/dbraw/zinc/90/00/31/570900031.db2.gz	NJXOHYRCGOHZQR-UHFFFAOYSA-N	-1	0	375.406	3.214	40	5		GGBBRM
CC(C)COc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000014795764	570900033	/nfs/dbraw/zinc/90/00/33/570900033.db2.gz	JSINZSMYSKSHFK-UHFFFAOYSA-N	-1	0	389.433	3.462	40	5		GGBBRM
COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1	ZINC000100848891	1410439500	/nfs/dbraw/zinc/43/95/00/1410439500.db2.gz	PAVXUKNZTCTCNJ-QGZVFWFLSA-N	-1	0	383.404	3.312	40	5		GGBBRM
C[C@@H](Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)c1ccccc1	ZINC000107665779	1411396529	/nfs/dbraw/zinc/39/65/29/1411396529.db2.gz	OCJCNDUIXLWERB-CNELAYHGSA-N	-1	0	379.372	3.282	40	5		GGBBRM
C[C@H](Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)c1ccccc1	ZINC000107665772	1411396664	/nfs/dbraw/zinc/39/66/64/1411396664.db2.gz	OCJCNDUIXLWERB-SRXBQZRASA-N	-1	0	379.372	3.282	40	5		GGBBRM
Cc1cc(C)c(N(CC(=O)[O-])S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000225086408	1433366963	/nfs/dbraw/zinc/36/69/63/1433366963.db2.gz	VYDRIXQUYRUOQR-UHFFFAOYSA-N	-1	0	392.433	3.108	40	5		GGBBRM
COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc([N+](=O)[O-])c1[O-]	ZINC000260766042	1433895169	/nfs/dbraw/zinc/89/51/69/1433895169.db2.gz	ITPZVXAEJWRNAU-UHNFBRDESA-N	-1	0	386.433	3.293	40	5		GGBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(c2nsc3ccccc32)CC1	ZINC000408712730	231102492	/nfs/dbraw/zinc/10/24/92/231102492.db2.gz	LQRVLFBQMQPASI-UHFFFAOYSA-N	-1	0	384.417	3.229	40	5		GGBBRM
O=C1N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(=O)N1Cc1ccccc1F	ZINC000409094802	231159472	/nfs/dbraw/zinc/15/94/72/231159472.db2.gz	GITFBGHISLPEPF-AWNIVKPZSA-N	-1	0	391.742	3.186	40	5		GGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCCOc2ccccc2)[nH]1	ZINC000409317767	231189697	/nfs/dbraw/zinc/18/96/97/231189697.db2.gz	SEXROJCRWLYZLO-KHPPLWFESA-N	-1	0	395.371	3.424	40	5		GGBBRM
O=C([O-])c1ccc(CNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	ZINC000013091806	210048959	/nfs/dbraw/zinc/04/89/59/210048959.db2.gz	OOWCQUJWUSUBFC-UHFFFAOYSA-N	-1	0	383.404	3.213	40	5		GGBBRM
Cc1oc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2c1C(=O)[O-]	ZINC000011615813	211675463	/nfs/dbraw/zinc/67/54/63/211675463.db2.gz	BBQFLKJDRIOUDZ-UHFFFAOYSA-N	-1	0	390.373	3.457	40	5		GGBBRM
CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071980433	211067454	/nfs/dbraw/zinc/06/74/54/211067454.db2.gz	UZDMFMSFJUWRGY-FXUPRZHBSA-N	-1	0	390.436	3.453	40	5		GGBBRM
Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1O	ZINC000020142744	210319452	/nfs/dbraw/zinc/31/94/52/210319452.db2.gz	AEVSSNRTPHWRAV-UHFFFAOYSA-N	-1	0	385.376	3.160	40	5		GGBBRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000020051078	210313797	/nfs/dbraw/zinc/31/37/97/210313797.db2.gz	SWBAGISHVWOHMN-UHFFFAOYSA-N	-1	0	384.797	3.226	40	5		GGBBRM
Cc1cccc(-n2nc([N+](=O)[O-])c([N-]c3ccccc3Br)[n+]2[O-])c1	ZINC000004822626	564207151	/nfs/dbraw/zinc/20/71/51/564207151.db2.gz	GVPWNSRLKJJORE-UHFFFAOYSA-N	-1	0	390.197	3.228	40	5		GGBBRM
O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000006615188	564225444	/nfs/dbraw/zinc/22/54/44/564225444.db2.gz	RSVHFCKHRJJUKP-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
O=C([O-])c1ccc(OCC(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000013053714	564273367	/nfs/dbraw/zinc/27/33/67/564273367.db2.gz	LFXPTFHONVVULU-UHFFFAOYSA-N	-1	0	395.165	3.073	40	5		GGBBRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000016449300	564293736	/nfs/dbraw/zinc/29/37/36/564293736.db2.gz	NYCMRYWZXRNFMK-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000030859104	564385072	/nfs/dbraw/zinc/38/50/72/564385072.db2.gz	MMHCMKUXBQBDAS-UHFFFAOYSA-N	-1	0	384.797	3.226	40	5		GGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nnc(SCC(C)C)s1	ZINC000225459587	565914916	/nfs/dbraw/zinc/91/49/16/565914916.db2.gz	OTFZEUXIHWGFLH-UHFFFAOYSA-N	-1	0	388.496	3.304	40	5		GGBBRM
O=C([N-]N1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408756027	570392729	/nfs/dbraw/zinc/39/27/29/570392729.db2.gz	XFCLDNQSSWYWSP-ZROIWOOFSA-N	-1	0	387.348	3.115	40	5		GGBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000006613966	570503976	/nfs/dbraw/zinc/50/39/76/570503976.db2.gz	NVXCXJTXXNSOCW-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
Cc1cc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)ccc1[N+](=O)[O-]	ZINC000006826113	570621903	/nfs/dbraw/zinc/62/19/03/570621903.db2.gz	IUPBAPSDYGMHDN-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
O=C(c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)N1CCCCC1	ZINC000014225872	570831928	/nfs/dbraw/zinc/83/19/28/570831928.db2.gz	IWDCFVNEQFCCAP-UHFFFAOYSA-N	-1	0	389.433	3.022	40	5		GGBBRM
CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000024431890	570843444	/nfs/dbraw/zinc/84/34/44/570843444.db2.gz	GCQJLJJKZPHVKM-UHFFFAOYSA-N	-1	0	377.422	3.380	40	5		GGBBRM
O=C([O-])CCc1ccc(Oc2cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c2)cc1	ZINC000104184865	570897161	/nfs/dbraw/zinc/89/71/61/570897161.db2.gz	KZXOFVYDBYJALS-UHFFFAOYSA-N	-1	0	377.265	3.221	40	5		GGBBRM
O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1	ZINC000047367420	570954312	/nfs/dbraw/zinc/95/43/12/570954312.db2.gz	YBKMIDBOZPEVJG-UHFFFAOYSA-N	-1	0	389.433	3.022	40	5		GGBBRM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000044884578	570982342	/nfs/dbraw/zinc/98/23/42/570982342.db2.gz	MMIMHXPERZHUKW-CYBMUJFWSA-N	-1	0	391.449	3.065	40	5		GGBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1C(=O)NCC(C)C	ZINC000223259280	570986010	/nfs/dbraw/zinc/98/60/10/570986010.db2.gz	FSJBTNJJIJOUMH-UHFFFAOYSA-N	-1	0	391.449	3.090	40	5		GGBBRM
CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000003947408	1398375675	/nfs/dbraw/zinc/37/56/75/1398375675.db2.gz	NUOYBFODJOUHKE-UHFFFAOYSA-N	-1	0	378.406	3.353	40	5		GGBBRM
O=C([O-])CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225059435	1433366787	/nfs/dbraw/zinc/36/67/87/1433366787.db2.gz	GDTIQGHQHZDYOT-UHFFFAOYSA-N	-1	0	386.385	3.028	40	5		GGBBRM
Cc1cc(/C=C/C(=O)[O-])cc(C)c1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000256054029	1433893030	/nfs/dbraw/zinc/89/30/30/1433893030.db2.gz	URMWIUDKFXRUFV-BQYQJAHWSA-N	-1	0	377.374	3.077	40	5		GGBBRM
CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)cc2[N+](=O)[O-])CC1	ZINC000020142644	957126753	/nfs/dbraw/zinc/12/67/53/957126753.db2.gz	HGRRCIOGCBNKNH-UHFFFAOYSA-N	-1	0	399.403	3.487	40	5		GGBBRM
Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1C	ZINC000409171074	231174858	/nfs/dbraw/zinc/17/48/58/231174858.db2.gz	XYAJDARCLUCKAG-UHFFFAOYSA-N	-1	0	399.432	3.135	40	5		GGBBRM
O=c1[nH]c(C=Cc2coc3c(Cl)cc(Cl)cc3c2=O)nc([O-])c1[N+](=O)[O-]	ZINC000409380958	231198589	/nfs/dbraw/zinc/19/85/89/231198589.db2.gz	QENKPGRDVJRMRT-OWOJBTEDSA-N	-1	0	396.142	3.380	40	5		GGBBRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000937541	212196826	/nfs/dbraw/zinc/19/68/26/212196826.db2.gz	FWEOTRRZEWKOAQ-UHFFFAOYSA-N	-1	0	398.400	3.043	40	5		GGBBRM
O=C([O-])c1ccc(S(=O)(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	ZINC000004276810	220700320	/nfs/dbraw/zinc/70/03/20/220700320.db2.gz	NGZIKFIAUWCONG-UHFFFAOYSA-N	-1	0	376.173	3.433	40	5		GGBBRM
CC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005378157	220863455	/nfs/dbraw/zinc/86/34/55/220863455.db2.gz	ZHEBHXUMNWAOAF-MJGOQNOKSA-N	-1	0	379.372	3.023	40	5		GGBBRM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1	ZINC000016121453	221357660	/nfs/dbraw/zinc/35/76/60/221357660.db2.gz	FKGIZQUMSJLKMC-UHFFFAOYSA-N	-1	0	389.433	3.022	40	5		GGBBRM
CCOc1ccccc1[N-]c1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-]	ZINC000016693532	221369752	/nfs/dbraw/zinc/36/97/52/221369752.db2.gz	DMEPYUBOCZLWBO-UHFFFAOYSA-N	-1	0	375.772	3.210	40	5		GGBBRM
CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000020035686	221467670	/nfs/dbraw/zinc/46/76/70/221467670.db2.gz	JXHJIIVCHKCBGC-UHFFFAOYSA-N	-1	0	391.449	3.065	40	5		GGBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000020142941	221474308	/nfs/dbraw/zinc/47/43/08/221474308.db2.gz	WLDMLXYYTVTVNL-UHFFFAOYSA-N	-1	0	385.376	3.154	40	5		GGBBRM
O=C([O-])[C@@H](CSC(=O)c1ccccc1)NSc1ccccc1[N+](=O)[O-]	ZINC000031719565	221713972	/nfs/dbraw/zinc/71/39/72/221713972.db2.gz	FWWNERPAMFOVOH-GFCCVEGCSA-N	-1	0	378.431	3.218	40	5		GGBBRM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C/c1cccc(Cl)c1	ZINC000059579078	222057193	/nfs/dbraw/zinc/05/71/93/222057193.db2.gz	KEBPHPAQLORCCX-VMPITWQZSA-N	-1	0	380.809	3.075	40	5		GGBBRM
Cc1c(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000408623192	533774322	/nfs/dbraw/zinc/77/43/22/533774322.db2.gz	RFRZXRDWEAMTOD-UHFFFAOYSA-N	-1	0	393.808	3.382	40	5		GGBBRM
COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000408628401	533837531	/nfs/dbraw/zinc/83/75/31/533837531.db2.gz	SMFZMQFWNLENMW-UHFFFAOYSA-N	-1	0	381.797	3.089	40	5		GGBBRM
O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408948028	534497618	/nfs/dbraw/zinc/49/76/18/534497618.db2.gz	OPYGOHJHDQEXBD-UHFFFAOYSA-N	-1	0	379.372	3.464	40	5		GGBBRM
O=C([O-])c1cc(Cl)c(Cl)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000226354508	534543632	/nfs/dbraw/zinc/54/36/32/534543632.db2.gz	LVGZUIDWGBFFNW-UHFFFAOYSA-N	-1	0	391.188	3.401	40	5		GGBBRM
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)c1	ZINC000409127486	534558663	/nfs/dbraw/zinc/55/86/63/534558663.db2.gz	CZFOGEOWNOOMSO-UHFFFAOYSA-N	-1	0	399.432	3.135	40	5		GGBBRM
O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000006615184	564225508	/nfs/dbraw/zinc/22/55/08/564225508.db2.gz	SCGYZIXIYVXJSS-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408617697	565614878	/nfs/dbraw/zinc/61/48/78/565614878.db2.gz	BGARORCEDKGKHM-UHFFFAOYSA-N	-1	0	379.781	3.073	40	5		GGBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1	ZINC000033409599	570312441	/nfs/dbraw/zinc/31/24/41/570312441.db2.gz	CYTZBOGGTNQYHK-CLFYSBASSA-N	-1	0	395.371	3.142	40	5		GGBBRM
COc1cc(Cl)c(C)cc1[N-]c1c([N+](=O)[O-])nn(-c2cccc(C)c2)[n+]1[O-]	ZINC000004922542	570370222	/nfs/dbraw/zinc/37/02/22/570370222.db2.gz	IGOIITUNOVUBFB-UHFFFAOYSA-N	-1	0	389.799	3.436	40	5		GGBBRM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3cccc(Cl)c3C)[n+]2[O-])cc1	ZINC000005005449	570394338	/nfs/dbraw/zinc/39/43/38/570394338.db2.gz	WIBOCAZKRMZXAI-UHFFFAOYSA-N	-1	0	375.772	3.128	40	5		GGBBRM
O=c1nc2n(-c3cccc4ccccc43)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000059497781	570659193	/nfs/dbraw/zinc/65/91/93/570659193.db2.gz	RKZPWUUCIAOEMO-UHFFFAOYSA-N	-1	0	384.351	3.240	40	5		GGBBRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)c1	ZINC000025453985	570753131	/nfs/dbraw/zinc/75/31/31/570753131.db2.gz	JRCNMJWNSYUBGU-UHFFFAOYSA-N	-1	0	378.406	3.107	40	5		GGBBRM
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000047339034	570953415	/nfs/dbraw/zinc/95/34/15/570953415.db2.gz	ANWRUXQOWWEMGX-UHFFFAOYSA-N	-1	0	391.449	3.186	40	5		GGBBRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl	ZINC000224779379	570967620	/nfs/dbraw/zinc/96/76/20/570967620.db2.gz	FVWPJTJQSNDECH-UHFFFAOYSA-N	-1	0	398.824	3.145	40	5		GGBBRM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000044884581	570982115	/nfs/dbraw/zinc/98/21/15/570982115.db2.gz	MMIMHXPERZHUKW-ZDUSSCGKSA-N	-1	0	391.449	3.065	40	5		GGBBRM
O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003016538	1398324287	/nfs/dbraw/zinc/32/42/87/1398324287.db2.gz	FSLTZENVWMZXBB-UHFFFAOYSA-N	-1	0	385.361	3.198	40	5		GGBBRM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000007363459	1398660188	/nfs/dbraw/zinc/66/01/88/1398660188.db2.gz	DTSJKRPARUZYCE-UHFFFAOYSA-N	-1	0	391.449	3.234	40	5		GGBBRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	ZINC000010112366	1398875785	/nfs/dbraw/zinc/87/57/85/1398875785.db2.gz	HLPJXMWGKASTNE-UHFFFAOYSA-N	-1	0	378.406	3.189	40	5		GGBBRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl	ZINC000225082696	1433366929	/nfs/dbraw/zinc/36/69/29/1433366929.db2.gz	QHMMEQKJITVZBM-UHFFFAOYSA-N	-1	0	398.824	3.145	40	5		GGBBRM
Cc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225081958	1433366973	/nfs/dbraw/zinc/36/69/73/1433366973.db2.gz	OLTXMIPTKOCNGW-UHFFFAOYSA-N	-1	0	398.824	3.145	40	5		GGBBRM