smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000120879037	495476792	/nfs/dbraw/zinc/47/67/92/495476792.db2.gz	HGJIXNGGQOCCKF-YVEFUNNKSA-N	-1	0	371.393	3.084	10	5		FGBERM
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000179526696	495629457	/nfs/dbraw/zinc/62/94/57/495629457.db2.gz	LWQMAVRXUIZSSV-KBXCAEBGSA-N	-1	0	356.378	3.029	10	5		FGBERM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000157318451	496453949	/nfs/dbraw/zinc/45/39/49/496453949.db2.gz	NEJUUSJQWQFZME-WMLDXEAASA-N	-1	0	356.378	3.029	10	5		FGBERM
CC(=O)Nc1ccc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])cc1	ZINC000040647821	205074194	/nfs/dbraw/zinc/07/41/94/205074194.db2.gz	GRNHZHQDSQMMJO-UHFFFAOYSA-N	-1	0	371.382	3.287	10	5		FGBERM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(F)(F)F	ZINC000122027089	494911462	/nfs/dbraw/zinc/91/14/62/494911462.db2.gz	RBPFYVJKMNVGLY-AWEZNQCLSA-N	-1	0	374.340	3.047	10	5		FGBERM
CC(C)c1ccc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000263481547	497789308	/nfs/dbraw/zinc/78/93/08/497789308.db2.gz	ASLFPFYLXGIXFX-AWEZNQCLSA-N	-1	0	366.414	3.106	10	5		FGBERM
COc1cc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000263532082	497797209	/nfs/dbraw/zinc/79/72/09/497797209.db2.gz	MYLABFOFBMCAII-UONOGXRCSA-N	-1	0	364.398	3.065	10	5		FGBERM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NSc1ccccc1[N+](=O)[O-]	ZINC000014824097	204589602	/nfs/dbraw/zinc/58/96/02/204589602.db2.gz	VJQMAIIBZHIBSM-CQSZACIVSA-N	-1	0	357.391	3.369	10	5		FGBERM
COC(=O)c1ccc(Nc2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])cc1	ZINC000040646816	205075066	/nfs/dbraw/zinc/07/50/66/205075066.db2.gz	KTKJSYMQTDVJHX-UHFFFAOYSA-N	-1	0	366.337	3.054	10	5		FGBERM
Cc1cc([N-]c2ncnc(Nc3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])no1	ZINC000040582216	205073485	/nfs/dbraw/zinc/07/34/85/205073485.db2.gz	CIEWHDNQVHJDHJ-UHFFFAOYSA-N	-1	0	357.286	3.077	10	5		FGBERM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000157398376	496470663	/nfs/dbraw/zinc/47/06/63/496470663.db2.gz	AUFKPAGDKFYZJG-WBVHZDCISA-N	-1	0	356.378	3.029	10	5		FGBERM
CSc1ccc(C(=O)NC2(C(=O)[O-])CCC(C)CC2)cc1[N+](=O)[O-]	ZINC000261882673	497467815	/nfs/dbraw/zinc/46/78/15/497467815.db2.gz	MSRUYKWODHGPBZ-UHFFFAOYSA-N	-1	0	352.412	3.080	10	5		FGBERM
Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1	ZINC000013272983	494283877	/nfs/dbraw/zinc/28/38/77/494283877.db2.gz	RTJMOEPKICMLRO-UHFFFAOYSA-N	-1	0	368.389	3.162	10	5		FGBERM
O=c1nc2n(-c3ccc(Cl)cc3)c3c(Cl)cccc3cc-2c(=O)[n-]1	ZINC000096286464	495009835	/nfs/dbraw/zinc/00/98/35/495009835.db2.gz	CRIJYCLTRQPCGQ-UHFFFAOYSA-N	-1	0	358.184	3.486	10	5		FGBERM
C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)s1	ZINC000123706772	495173590	/nfs/dbraw/zinc/17/35/90/495173590.db2.gz	WOQJVMCDCCDULS-ZETCQYMHSA-N	-1	0	364.807	3.488	10	5		FGBERM
CCc1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)n1	ZINC000113440576	495306187	/nfs/dbraw/zinc/30/61/87/495306187.db2.gz	CCIHEHDSDZZEGX-GFCCVEGCSA-N	-1	0	361.423	3.339	10	5		FGBERM
O=C([O-])c1cc(C(=O)NC2CCC(C(F)(F)F)CC2)cc([N+](=O)[O-])c1	ZINC000262635689	497589017	/nfs/dbraw/zinc/58/90/17/497589017.db2.gz	GRPHLOFWLSXSMM-UHFFFAOYSA-N	-1	0	360.288	3.144	10	5		FGBERM
CCn1cnc2c1ccc([N-]S(=O)(=O)c1ccc(C)cc1)c2[N+](=O)[O-]	ZINC000005328251	204203007	/nfs/dbraw/zinc/20/30/07/204203007.db2.gz	PPCFIZXEZZPYAO-UHFFFAOYSA-N	-1	0	360.395	3.074	10	5		FGBERM
O=C([O-])c1cc([N+](=O)[O-])c(OCc2ccc(Br)cc2)cc1O	ZINC000226346574	206121955	/nfs/dbraw/zinc/12/19/55/206121955.db2.gz	ZDUWNWJJSYZPBN-UHFFFAOYSA-N	-1	0	368.139	3.340	10	5		FGBERM
CC(C)Nc1ncnc([N-]c2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000040597502	208258295	/nfs/dbraw/zinc/25/82/95/208258295.db2.gz	PMOWBVCUKITTAV-UHFFFAOYSA-N	-1	0	353.180	3.106	10	5		FGBERM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3s2)ccc1F	ZINC000226862871	209369311	/nfs/dbraw/zinc/36/93/11/209369311.db2.gz	GSCARXJZPVGYIO-UHFFFAOYSA-N	-1	0	353.356	3.144	10	5		FGBERM
O=[N+]([O-])c1cccc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])c1	ZINC000040647754	208260488	/nfs/dbraw/zinc/26/04/88/208260488.db2.gz	HMILUZREDKLQGW-UHFFFAOYSA-N	-1	0	359.327	3.237	10	5		FGBERM
C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000123669459	495169432	/nfs/dbraw/zinc/16/94/32/495169432.db2.gz	GNGPCBMWUCVFRJ-MRVPVSSYSA-N	-1	0	360.313	3.052	10	5		FGBERM
CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000186070095	712708581	/nfs/dbraw/zinc/70/85/81/712708581.db2.gz	UWCRGKDJOKJTBU-HNNXBMFYSA-N	-1	0	363.801	3.065	10	5		FGBERM
CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2cc(O)ccc2oc1=O	ZINC000022060262	207792967	/nfs/dbraw/zinc/79/29/67/207792967.db2.gz	SUHPKJKJROTWOQ-CQSZACIVSA-N	-1	0	369.329	3.223	10	5	in-vitro	FGBERM
CCCNc1ncnc([N-]c2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000040596905	208258552	/nfs/dbraw/zinc/25/85/52/208258552.db2.gz	KNIBAVDEKWWMHO-UHFFFAOYSA-N	-1	0	353.180	3.108	10	5		FGBERM
O=C([O-])[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F	ZINC000263543819	497798201	/nfs/dbraw/zinc/79/82/01/497798201.db2.gz	FMIPQDRWPPSDSM-HTQZYQBOSA-N	-1	0	372.221	3.313	10	5		FGBERM
C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000194334126	713518816	/nfs/dbraw/zinc/51/88/16/713518816.db2.gz	SPKDGWDHWACMCL-SECBINFHSA-N	-1	0	358.778	3.427	10	5		FGBERM
COc1cc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000263532081	497797183	/nfs/dbraw/zinc/79/71/83/497797183.db2.gz	MYLABFOFBMCAII-KGLIPLIRSA-N	-1	0	364.398	3.065	10	5		FGBERM
CCN(CC)c1ncnc([N-]c2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000040608036	208259265	/nfs/dbraw/zinc/25/92/65/208259265.db2.gz	VBMZFEFYYQCPPD-UHFFFAOYSA-N	-1	0	367.207	3.132	10	5		FGBERM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000184833007	496548805	/nfs/dbraw/zinc/54/88/05/496548805.db2.gz	YRYWQMYRYWHMOJ-YOEHRIQHSA-N	-1	0	356.378	3.029	10	5		FGBERM
COc1ccccc1[C@@H](C[N+](=O)[O-])c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000584655820	507436379	/nfs/dbraw/zinc/43/63/79/507436379.db2.gz	RQUOIFDVXTZNIL-MRXNPFEDSA-N	-1	0	353.378	3.304	10	5		FGBERM
COc1cc(OC)c2cc([N+](=O)[O-])c3c(C(=O)[O-])cc4c(c3c2c1)OCO4	ZINC000006017760	207126644	/nfs/dbraw/zinc/12/66/44/207126644.db2.gz	GYBINMVKWZEICQ-UHFFFAOYSA-N	-1	0	371.301	3.345	10	5	biogenic,in-vitro	FGBERM
Cc1cc(C)cc(-n2c3cc(Cl)ccc3cc3c(=O)[n-]c(=O)nc2-3)c1	ZINC000041076619	494147468	/nfs/dbraw/zinc/14/74/68/494147468.db2.gz	OWDBNUYGVXRIKW-UHFFFAOYSA-N	-1	0	351.793	3.449	10	5		FGBERM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000157318890	496453642	/nfs/dbraw/zinc/45/36/42/496453642.db2.gz	NEJUUSJQWQFZME-PBHICJAKSA-N	-1	0	356.378	3.029	10	5		FGBERM
CCc1csc([C@@H]2CCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)n1	ZINC000164635006	496624935	/nfs/dbraw/zinc/62/49/35/496624935.db2.gz	KBCGAHKJDLMWHN-GFCCVEGCSA-N	-1	0	361.423	3.339	10	5		FGBERM
O=C([O-])c1cc([N+](=O)[O-])c(C(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000584598140	507429516	/nfs/dbraw/zinc/42/95/16/507429516.db2.gz	HUNCYHBHFMHLCR-UHFFFAOYSA-N	-1	0	350.670	3.086	10	5		FGBERM
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000179526708	495629206	/nfs/dbraw/zinc/62/92/06/495629206.db2.gz	LWQMAVRXUIZSSV-KSSFIOAISA-N	-1	0	356.378	3.029	10	5		FGBERM
CCc1csc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)n1	ZINC000184780807	496530645	/nfs/dbraw/zinc/53/06/45/496530645.db2.gz	BIOBOUNLUBJWEA-LLVKDONJSA-N	-1	0	361.423	3.339	10	5		FGBERM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000184833028	496549406	/nfs/dbraw/zinc/54/94/06/496549406.db2.gz	YRYWQMYRYWHMOJ-RHSMWYFYSA-N	-1	0	356.378	3.029	10	5		FGBERM
Cc1cc(Nc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])no1	ZINC000102781305	570838639	/nfs/dbraw/zinc/83/86/39/570838639.db2.gz	XGLSHFSGKDCAGN-BETUJISGSA-N	-1	0	370.365	3.314	10	5		FGBERM
CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2cc(O)ccc2oc1=O	ZINC000022060259	494513678	/nfs/dbraw/zinc/51/36/78/494513678.db2.gz	SUHPKJKJROTWOQ-AWEZNQCLSA-N	-1	0	369.329	3.223	10	5	world	FGBERM
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000120878876	495476301	/nfs/dbraw/zinc/47/63/01/495476301.db2.gz	HGJIXNGGQOCCKF-SJKOYZFVSA-N	-1	0	371.393	3.084	10	5		FGBERM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000157318736	496453545	/nfs/dbraw/zinc/45/35/45/496453545.db2.gz	NEJUUSJQWQFZME-RHSMWYFYSA-N	-1	0	356.378	3.029	10	5		FGBERM
CCc1csc([C@H]2CCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)n1	ZINC000164635095	496624975	/nfs/dbraw/zinc/62/49/75/496624975.db2.gz	KBCGAHKJDLMWHN-LBPRGKRZSA-N	-1	0	361.423	3.339	10	5		FGBERM
O=C([O-])c1cc([N+](=O)[O-])c(OCc2cccc(Br)c2)cc1O	ZINC000226346664	497081352	/nfs/dbraw/zinc/08/13/52/497081352.db2.gz	BTZBKSJCSHHGEG-UHFFFAOYSA-N	-1	0	368.139	3.340	10	5		FGBERM
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000120878690	495476584	/nfs/dbraw/zinc/47/65/84/495476584.db2.gz	HGJIXNGGQOCCKF-SJCJKPOMSA-N	-1	0	371.393	3.084	10	5		FGBERM
CC(C)c1nc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])CCCC2)no1	ZINC000182077642	496661090	/nfs/dbraw/zinc/66/10/90/496661090.db2.gz	VDMZKTMFOIJKDX-UHFFFAOYSA-N	-1	0	360.370	3.006	10	5		FGBERM
Cc1cc([N-]c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])on1	ZINC000004683889	571159939	/nfs/dbraw/zinc/15/99/39/571159939.db2.gz	NFQGXRNLFUDSMX-STQMWFEESA-N	-1	0	368.349	3.090	10	5		FGBERM
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)C	ZINC000120882823	495476986	/nfs/dbraw/zinc/47/69/86/495476986.db2.gz	APVCAPPULUBKAT-KRWDZBQOSA-N	-1	0	371.393	3.002	10	5		FGBERM
CC[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1cccc([N+](=O)[O-])c1	ZINC000177794724	496199758	/nfs/dbraw/zinc/19/97/58/496199758.db2.gz	WVNRKTVLKUPNNE-JTQLQIEISA-N	-1	0	370.481	3.468	10	5		FGBERM
CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC000262789965	497622034	/nfs/dbraw/zinc/62/20/34/497622034.db2.gz	POQKUAXTVPBJTJ-UHFFFAOYSA-N	-1	0	364.379	3.236	10	5		FGBERM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(F)(F)F	ZINC000122027301	494911476	/nfs/dbraw/zinc/91/14/76/494911476.db2.gz	RBPFYVJKMNVGLY-CQSZACIVSA-N	-1	0	374.340	3.047	10	5		FGBERM
CC(C)CC(=O)N[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C	ZINC000180784805	496145329	/nfs/dbraw/zinc/14/53/29/496145329.db2.gz	OZLYXEHVFIMJTC-AWEZNQCLSA-N	-1	0	371.821	3.079	10	5		FGBERM
Cc1ccc(-n2c3nc4ccccc4cc3cc3c(=O)[n-]c(=O)nc2-3)cc1C	ZINC000041074089	210044967	/nfs/dbraw/zinc/04/49/67/210044967.db2.gz	NIXGBZLGFQKKMB-UHFFFAOYSA-N	-1	0	368.396	3.344	10	5		FGBERM
CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccc(O)cc2oc1=O	ZINC000022060268	211337694	/nfs/dbraw/zinc/33/76/94/211337694.db2.gz	JTCREUDLEYTCAB-OAHLLOKOSA-N	-1	0	369.329	3.223	10	5	in-vitro	FGBERM
CC(C)c1ccc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000263481548	497789643	/nfs/dbraw/zinc/78/96/43/497789643.db2.gz	ASLFPFYLXGIXFX-CQSZACIVSA-N	-1	0	366.414	3.106	10	5		FGBERM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)s1	ZINC000066327560	494312045	/nfs/dbraw/zinc/31/20/45/494312045.db2.gz	UPUALUJQBFCNSQ-YUMQZZPRSA-N	-1	0	358.363	3.056	10	5		FGBERM
O=c1nc2n(-c3ccc(Cl)cc3)c3nc4ccccc4cc3cc-2c(=O)[n-]1	ZINC000041074093	210044505	/nfs/dbraw/zinc/04/45/05/210044505.db2.gz	KTHMOLIUYIPRMB-UHFFFAOYSA-N	-1	0	374.787	3.380	10	5		FGBERM
Cc1ccc(-n2c3nc4ccc(C)cc4cc3cc3c(=O)[n-]c(=O)nc2-3)cc1	ZINC000041074085	210044290	/nfs/dbraw/zinc/04/42/90/210044290.db2.gz	DRNQVHYPFCPLSR-UHFFFAOYSA-N	-1	0	368.396	3.344	10	5		FGBERM
O=C([O-])[C@@H]1CCCN1c1ncnc2scc(-c3cccc([N+](=O)[O-])c3)c21	ZINC000020318123	211275214	/nfs/dbraw/zinc/27/52/14/211275214.db2.gz	MTVGGYXSDUREIU-ZDUSSCGKSA-N	-1	0	370.390	3.320	10	5		FGBERM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)s1	ZINC000066327559	494311678	/nfs/dbraw/zinc/31/16/78/494311678.db2.gz	UPUALUJQBFCNSQ-JGVFFNPUSA-N	-1	0	358.363	3.056	10	5		FGBERM
O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164969966	496641022	/nfs/dbraw/zinc/64/10/22/496641022.db2.gz	ZDPSDPORQSBZLT-CQSZACIVSA-N	-1	0	354.284	3.204	10	5		FGBERM
O=[N+]([O-])c1cc([S-])c(OC(F)(F)F)cc1I	ZINC000575711176	505992337	/nfs/dbraw/zinc/99/23/37/505992337.db2.gz	OWRGAEFAPGZHCO-UHFFFAOYSA-N	-1	0	365.070	3.387	10	5		FGBERM
C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000194334369	713518832	/nfs/dbraw/zinc/51/88/32/713518832.db2.gz	BYDDZEYYMAYLJW-MRVPVSSYSA-N	-1	0	360.313	3.052	10	5		FGBERM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000021144632	211310051	/nfs/dbraw/zinc/31/00/51/211310051.db2.gz	NEMBJADMSNNLPA-UHFFFAOYSA-N	-1	0	364.741	3.272	10	5		FGBERM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000157398122	496470815	/nfs/dbraw/zinc/47/08/15/496470815.db2.gz	AUFKPAGDKFYZJG-RDJZCZTQSA-N	-1	0	356.378	3.029	10	5		FGBERM
O=[N+]([O-])c1cc(OC(F)(F)F)cc(I)c1[S-]	ZINC000575710968	505992346	/nfs/dbraw/zinc/99/23/46/505992346.db2.gz	MIMANBIYFPQHQT-UHFFFAOYSA-N	-1	0	365.070	3.387	10	5		FGBERM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000180094139	495855873	/nfs/dbraw/zinc/85/58/73/495855873.db2.gz	YIMZGYZMORGHSH-MAUKXSAKSA-N	-1	0	356.378	3.029	10	5		FGBERM
Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3[N+](=O)[O-])CC2)c1C	ZINC000004660464	132387045	/nfs/dbraw/zinc/38/70/45/132387045.db2.gz	OXVJNSRHZUZQAL-UHFFFAOYSA-N	-1	0	355.394	3.236	10	5		FGBERM
CC1CCN(c2ncnc(Nc3ccc(C(=O)[O-])cc3)c2[N+](=O)[O-])CC1	ZINC000040613018	132948128	/nfs/dbraw/zinc/94/81/28/132948128.db2.gz	HHHZAIPWKPMTNM-UHFFFAOYSA-N	-1	0	357.370	3.063	10	5		FGBERM
O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1	ZINC000262690978	497600516	/nfs/dbraw/zinc/60/05/16/497600516.db2.gz	DWHSAIBKPDELQJ-QWHCGFSZSA-N	-1	0	370.361	3.370	10	5		FGBERM
Cc1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)[O-])c1C	ZINC000020332869	220322441	/nfs/dbraw/zinc/32/24/41/220322441.db2.gz	VDKIUJOLFUVSSV-UHFFFAOYSA-N	-1	0	365.323	3.132	10	5		FGBERM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000180094178	495856178	/nfs/dbraw/zinc/85/61/78/495856178.db2.gz	YIMZGYZMORGHSH-CRAIPNDOSA-N	-1	0	356.378	3.029	10	5		FGBERM
CN(C)[C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000186070113	712708623	/nfs/dbraw/zinc/70/86/23/712708623.db2.gz	UWCRGKDJOKJTBU-OAHLLOKOSA-N	-1	0	363.801	3.065	10	5		FGBERM
C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000194334110	713518823	/nfs/dbraw/zinc/51/88/23/713518823.db2.gz	SPKDGWDHWACMCL-VIFPVBQESA-N	-1	0	358.778	3.427	10	5		FGBERM
O=C([O-])C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1	ZINC000170851754	495627478	/nfs/dbraw/zinc/62/74/78/495627478.db2.gz	SCBHORNWOMVXMX-INIZCTEOSA-N	-1	0	353.334	3.022	10	5		FGBERM
O=C([O-])c1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1	ZINC000237984652	497323225	/nfs/dbraw/zinc/32/32/25/497323225.db2.gz	IFCNQHDFZLXEJU-WDEREUQCSA-N	-1	0	360.288	3.144	10	5		FGBERM
Cc1cc([N-]c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2[N+](=O)[O-])on1	ZINC000102784710	570838518	/nfs/dbraw/zinc/83/85/18/570838518.db2.gz	NFQGXRNLFUDSMX-CHWSQXEVSA-N	-1	0	368.349	3.090	10	5		FGBERM
O=C([O-])c1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])cc1	ZINC000040610155	220913231	/nfs/dbraw/zinc/91/32/31/220913231.db2.gz	OAKCWYNFCCKNPS-UHFFFAOYSA-N	-1	0	357.370	3.207	10	5		FGBERM
COc1cccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000261859466	497463899	/nfs/dbraw/zinc/46/38/99/497463899.db2.gz	AJTAZZOVMIEGLY-QGZVFWFLSA-N	-1	0	370.361	3.279	10	5		FGBERM
COc1ccccc1[C@H](C[N+](=O)[O-])c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000584655819	507436630	/nfs/dbraw/zinc/43/66/30/507436630.db2.gz	RQUOIFDVXTZNIL-INIZCTEOSA-N	-1	0	353.378	3.304	10	5		FGBERM
COc1ccc2c(cc([N+](=O)[O-])c3c(C(=O)[O-])cc4c(c23)OCO4)c1O	ZINC000006018930	493948919	/nfs/dbraw/zinc/94/89/19/493948919.db2.gz	ZRCMNWRTDNPVFL-UHFFFAOYSA-N	-1	0	357.274	3.042	10	5	biogenic,in-vitro	FGBERM
CN(C)c1ncnc([N-]c2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-]	ZINC000040608656	220912369	/nfs/dbraw/zinc/91/23/69/220912369.db2.gz	RUWSNTJBPDGWBW-UHFFFAOYSA-N	-1	0	362.699	3.262	10	5		FGBERM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)s1	ZINC000064245070	494109284	/nfs/dbraw/zinc/10/92/84/494109284.db2.gz	UPUALUJQBFCNSQ-HTQZYQBOSA-N	-1	0	358.363	3.056	10	5		FGBERM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000184832987	496549128	/nfs/dbraw/zinc/54/91/28/496549128.db2.gz	YRYWQMYRYWHMOJ-WMLDXEAASA-N	-1	0	356.378	3.029	10	5		FGBERM
O=C([O-])c1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1	ZINC000237985169	497323529	/nfs/dbraw/zinc/32/35/29/497323529.db2.gz	IFCNQHDFZLXEJU-MNOVXSKESA-N	-1	0	360.288	3.144	10	5		FGBERM
O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccc(Br)o3)n2)ccc1[O-]	ZINC000072237703	494146037	/nfs/dbraw/zinc/14/60/37/494146037.db2.gz	HXGMXFNQMNGYRT-UHFFFAOYSA-N	-1	0	351.116	3.108	10	5		FGBERM
COc1cc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000263532080	497796902	/nfs/dbraw/zinc/79/69/02/497796902.db2.gz	MYLABFOFBMCAII-KBPBESRZSA-N	-1	0	364.398	3.065	10	5		FGBERM
COc1ccc(OC)c(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])c1	ZINC000040619425	205074519	/nfs/dbraw/zinc/07/45/19/205074519.db2.gz	IYVMSUDFVASBBC-UHFFFAOYSA-N	-1	0	374.382	3.346	10	5		FGBERM
Cc1ccc2nc([N-]c3ncnc(-n4ccnc4)c3[N+](=O)[O-])sc2c1	ZINC000040650587	205076299	/nfs/dbraw/zinc/07/62/99/205076299.db2.gz	LZSVIRODYQYETL-UHFFFAOYSA-N	-1	0	353.367	3.232	10	5		FGBERM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000157398224	496469934	/nfs/dbraw/zinc/46/99/34/496469934.db2.gz	AUFKPAGDKFYZJG-NVXWUHKLSA-N	-1	0	356.378	3.029	10	5		FGBERM
O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164969855	496641242	/nfs/dbraw/zinc/64/12/42/496641242.db2.gz	ZDPSDPORQSBZLT-AWEZNQCLSA-N	-1	0	354.284	3.204	10	5		FGBERM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000194339962	713519042	/nfs/dbraw/zinc/51/90/42/713519042.db2.gz	QYKWBJRCESAKPT-IUCAKERBSA-N	-1	0	370.324	3.133	10	5		FGBERM
C[N+](C)([O-])CC/C=C1/c2ccccc2COc2ccc(CC(=O)[O-])cc21	ZINC000575733549	717184989	/nfs/dbraw/zinc/18/49/89/717184989.db2.gz	OXMAESJMCDJWDI-LSCVHKIXSA-O	-1	0	354.426	3.494	10	5		FGBERM
Cc1cccnc1[N-]c1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000040584186	205072679	/nfs/dbraw/zinc/07/26/79/205072679.db2.gz	PAGUYPFQRGCNPC-UHFFFAOYSA-N	-1	0	366.337	3.304	10	5		FGBERM
COC(=O)c1ccccc1Nc1ncnc([N-]c2ccccn2)c1[N+](=O)[O-]	ZINC000040645589	205074833	/nfs/dbraw/zinc/07/48/33/205074833.db2.gz	ISBXUEGUNNICAK-UHFFFAOYSA-N	-1	0	366.337	3.054	10	5		FGBERM
COCCNc1ncnc([N-]c2nc3ccc(C)cc3s2)c1[N+](=O)[O-]	ZINC000040650497	205075278	/nfs/dbraw/zinc/07/52/78/205075278.db2.gz	JIUIIKUSQSTZIJ-UHFFFAOYSA-N	-1	0	360.399	3.105	10	5		FGBERM
C[C@H](C(=O)[O-])c1c(Cl)nc(Cc2ccc([N+](=O)[O-])cc2)nc1Cl	ZINC000095934217	205795432	/nfs/dbraw/zinc/79/54/32/205795432.db2.gz	BBARYMRADPVFIF-ZETCQYMHSA-N	-1	0	356.165	3.471	10	5		FGBERM
Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)C	ZINC000120882995	495476950	/nfs/dbraw/zinc/47/69/50/495476950.db2.gz	APVCAPPULUBKAT-QGZVFWFLSA-N	-1	0	371.393	3.002	10	5		FGBERM
COc1ccc(OC)c(Nc2ncnc([N-]c3cc(C)on3)c2[N+](=O)[O-])c1	ZINC000040582119	205073184	/nfs/dbraw/zinc/07/31/84/205073184.db2.gz	FEDPJBKEXFTYHB-UHFFFAOYSA-N	-1	0	372.341	3.186	10	5		FGBERM
CC(C)Oc1ncnc([N-]c2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000040647356	205074501	/nfs/dbraw/zinc/07/45/01/205074501.db2.gz	UHKPZJKKLFGWQG-UHFFFAOYSA-N	-1	0	354.164	3.073	10	5		FGBERM
COc1ccc(Nc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])c(OC)c1	ZINC000040619587	205074606	/nfs/dbraw/zinc/07/46/06/205074606.db2.gz	PTZRXGUEANDCIS-UHFFFAOYSA-N	-1	0	374.382	3.346	10	5		FGBERM
C[C@@H](C(=O)[O-])c1c(Cl)nc(Cc2ccc([N+](=O)[O-])cc2)nc1Cl	ZINC000095934218	494990831	/nfs/dbraw/zinc/99/08/31/494990831.db2.gz	BBARYMRADPVFIF-SSDOTTSWSA-N	-1	0	356.165	3.471	10	5		FGBERM
C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000194334354	713518620	/nfs/dbraw/zinc/51/86/20/713518620.db2.gz	BYDDZEYYMAYLJW-QMMMGPOBSA-N	-1	0	360.313	3.052	10	5		FGBERM
O=c1nc2n(-c3cccc(Cl)c3)c3c(Cl)cccc3cc-2c(=O)[n-]1	ZINC000096286463	495010028	/nfs/dbraw/zinc/01/00/28/495010028.db2.gz	ONLYFDZWVSVUGC-UHFFFAOYSA-N	-1	0	358.184	3.486	10	5		FGBERM
Cc1cc(Nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])no1	ZINC000102781308	570838544	/nfs/dbraw/zinc/83/85/44/570838544.db2.gz	XGLSHFSGKDCAGN-STQMWFEESA-N	-1	0	370.365	3.314	10	5		FGBERM
C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1	ZINC000123669238	495169349	/nfs/dbraw/zinc/16/93/49/495169349.db2.gz	GNGPCBMWUCVFRJ-QMMMGPOBSA-N	-1	0	360.313	3.052	10	5		FGBERM
O=C([O-])c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1	ZINC000237984581	497323252	/nfs/dbraw/zinc/32/32/52/497323252.db2.gz	IFCNQHDFZLXEJU-GHMZBOCLSA-N	-1	0	360.288	3.144	10	5		FGBERM
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000010109674	204390820	/nfs/dbraw/zinc/39/08/20/204390820.db2.gz	KXPYPWALBUGUGW-UHFFFAOYSA-N	-1	0	363.351	3.081	10	5		FGBERM
O=C([O-])c1ccccc1C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000010150448	204391949	/nfs/dbraw/zinc/39/19/49/204391949.db2.gz	GCAURIIQONKDJS-UHFFFAOYSA-N	-1	0	365.685	3.107	10	5		FGBERM
O=[N+]([O-])c1c([N-]c2ccccn2)ncnc1Nc1ccc2c(c1)OCCO2	ZINC000040646091	205075055	/nfs/dbraw/zinc/07/50/55/205075055.db2.gz	TZTVVZDLZDBZFA-UHFFFAOYSA-N	-1	0	366.337	3.038	10	5		FGBERM
Cc1ccc(Nc2ncnc(Nc3ccc(C(=O)[O-])cc3)c2[N+](=O)[O-])nc1	ZINC000040660646	205076124	/nfs/dbraw/zinc/07/61/24/205076124.db2.gz	NJVWLVAYVIJVBJ-UHFFFAOYSA-N	-1	0	366.337	3.274	10	5		FGBERM
O=C([O-])c1cc(OCc2ccc(Br)cc2)cc([N+](=O)[O-])c1O	ZINC000226346443	206121715	/nfs/dbraw/zinc/12/17/15/206121715.db2.gz	KGWKUMSNRUFFGU-UHFFFAOYSA-N	-1	0	368.139	3.340	10	5		FGBERM
CCc1c(C)sc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1C(=O)[O-]	ZINC000263469017	497787319	/nfs/dbraw/zinc/78/73/19/497787319.db2.gz	RODMWGRIVZSEEN-UHFFFAOYSA-N	-1	0	364.379	3.243	10	5		FGBERM
CCc1cc(C(=O)[O-])c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000020333350	207732294	/nfs/dbraw/zinc/73/22/94/207732294.db2.gz	HPTJRCLEMMVMCU-UHFFFAOYSA-N	-1	0	365.323	3.077	10	5		FGBERM
Cc1ccc2nc3c(cc2c1)cc1c(=O)[n-]c(=O)nc-1n3-c1ccccc1	ZINC000041074083	494147632	/nfs/dbraw/zinc/14/76/32/494147632.db2.gz	VXWVXIGWFKLHAT-UHFFFAOYSA-N	-1	0	354.369	3.035	10	5		FGBERM
CC(C)c1nc(C2(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CCCC2)no1	ZINC000183022936	495801612	/nfs/dbraw/zinc/80/16/12/495801612.db2.gz	YVLQLFMSERZJAU-UHFFFAOYSA-N	-1	0	360.370	3.006	10	5		FGBERM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000194339989	713518950	/nfs/dbraw/zinc/51/89/50/713518950.db2.gz	QYKWBJRCESAKPT-BDAKNGLRSA-N	-1	0	370.324	3.133	10	5		FGBERM
Cc1[n-]n(-c2ccccc2)c(=O)c1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005587124	207107942	/nfs/dbraw/zinc/10/79/42/207107942.db2.gz	MEHOSRFDPAXHHO-UHFFFAOYSA-N	-1	0	355.310	3.034	10	5		FGBERM
COC(=O)c1ccccc1Nc1ncnc([N-]c2nccs2)c1[N+](=O)[O-]	ZINC000040645594	208261622	/nfs/dbraw/zinc/26/16/22/208261622.db2.gz	VJIOZCHNPISRRH-UHFFFAOYSA-N	-1	0	372.366	3.115	10	5		FGBERM
O=C([O-])C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1	ZINC000170851753	495627995	/nfs/dbraw/zinc/62/79/95/495627995.db2.gz	SCBHORNWOMVXMX-MRXNPFEDSA-N	-1	0	353.334	3.022	10	5		FGBERM
CCc1csc([C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)n1	ZINC000151573821	495883304	/nfs/dbraw/zinc/88/33/04/495883304.db2.gz	CTWBDVAJVZSEJR-NSHDSACASA-N	-1	0	361.423	3.339	10	5		FGBERM
C[N+](C)([O-])CC/C=C1\c2ccccc2COc2ccc(CC(=O)[O-])cc21	ZINC000616451388	717187660	/nfs/dbraw/zinc/18/76/60/717187660.db2.gz	OXMAESJMCDJWDI-QGMBQPNBSA-O	-1	0	354.426	3.494	10	5		FGBERM
Cc1ccnc([N-]c2ncnc(Nc3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])c1	ZINC000040588257	208259860	/nfs/dbraw/zinc/25/98/60/208259860.db2.gz	XHPYMZOURRFQSC-UHFFFAOYSA-N	-1	0	367.325	3.484	10	5		FGBERM
Cc1oc(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000262048853	497499345	/nfs/dbraw/zinc/49/93/45/497499345.db2.gz	FGGGYYYSXWERGS-UHFFFAOYSA-N	-1	0	360.366	3.422	10	5		FGBERM
CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c2cccnc12	ZINC000002455803	493808750	/nfs/dbraw/zinc/80/87/50/493808750.db2.gz	ZUGYTVVUZIYGMM-UHFFFAOYSA-N	-1	0	373.390	3.343	10	5		FGBERM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Br)s1	ZINC000063910998	494097027	/nfs/dbraw/zinc/09/70/27/494097027.db2.gz	SVWXTQBVLSOFOE-UHFFFAOYSA-N	-1	0	363.214	3.220	10	5		FGBERM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000184833047	496550218	/nfs/dbraw/zinc/55/02/18/496550218.db2.gz	YRYWQMYRYWHMOJ-PBHICJAKSA-N	-1	0	356.378	3.029	10	5		FGBERM
O=C([O-])c1ccc(Nc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624771	208258537	/nfs/dbraw/zinc/25/85/37/208258537.db2.gz	PNCGADIGCYVUMW-UHFFFAOYSA-N	-1	0	366.337	3.266	10	5		FGBERM
Cc1coc(CC(=O)[O-])c1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000263442899	497783295	/nfs/dbraw/zinc/78/32/95/497783295.db2.gz	QERWKSVDVBDXGX-UHFFFAOYSA-N	-1	0	360.366	3.174	10	5		FGBERM
CC(=O)c1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1	ZINC000033471621	208095106	/nfs/dbraw/zinc/09/51/06/208095106.db2.gz	DTIRTOFHTRIFEG-SOFGYWHQSA-N	-1	0	367.317	3.017	10	5		FGBERM
O=[N+]([O-])c1ccc([O-])c(-c2n[nH]c(-c3ccc(Br)o3)n2)c1	ZINC000072237769	494145465	/nfs/dbraw/zinc/14/54/65/494145465.db2.gz	GADIKEGENCBECM-UHFFFAOYSA-N	-1	0	351.116	3.108	10	5		FGBERM
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)[N-]c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])O2	ZINC000100115743	495063538	/nfs/dbraw/zinc/06/35/38/495063538.db2.gz	NFVJASJPSJPHSG-UHFFFAOYSA-N	-1	0	363.198	3.169	10	5		FGBERM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cnc(Cl)s2)ccc1Cl	ZINC000037985857	207796497	/nfs/dbraw/zinc/79/64/97/207796497.db2.gz	XHXSEZDCIRNCDR-UHFFFAOYSA-N	-1	0	354.196	3.159	10	5		FGBERM
Cc1cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c2cccc([N+](=O)[O-])c2n1	ZINC000263548947	497799311	/nfs/dbraw/zinc/79/93/11/497799311.db2.gz	JFUHIMRKWKPMJM-GHMZBOCLSA-N	-1	0	369.299	3.151	10	5		FGBERM
O=[N+]([O-])c1cc(I)c([S-])cc1OC(F)(F)F	ZINC000575711399	505992261	/nfs/dbraw/zinc/99/22/61/505992261.db2.gz	QNRUOLKMXMCRHJ-UHFFFAOYSA-N	-1	0	365.070	3.387	10	5		FGBERM
CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179475791	495606085	/nfs/dbraw/zinc/60/60/85/495606085.db2.gz	OUHPZRCWQKPZIP-QGZVFWFLSA-N	-1	0	356.378	3.293	10	5		FGBERM
CC(C)CC(=O)N[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C	ZINC000180784823	496145617	/nfs/dbraw/zinc/14/56/17/496145617.db2.gz	OZLYXEHVFIMJTC-CQSZACIVSA-N	-1	0	371.821	3.079	10	5		FGBERM
CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccc([N+](=O)[O-])cc1	ZINC000034539074	210246502	/nfs/dbraw/zinc/24/65/02/210246502.db2.gz	GSXCMKWZZYPXIJ-UHFFFAOYSA-N	-1	0	351.790	3.463	10	5		FGBERM
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000120878536	495476138	/nfs/dbraw/zinc/47/61/38/495476138.db2.gz	HGJIXNGGQOCCKF-PXAZEXFGSA-N	-1	0	371.393	3.084	10	5		FGBERM
O=C([O-])c1cc(OCc2ccc([N+](=O)[O-])cc2)cc(Br)c1O	ZINC000226346432	497081552	/nfs/dbraw/zinc/08/15/52/497081552.db2.gz	NTAMRVZIBJZICQ-UHFFFAOYSA-N	-1	0	368.139	3.340	10	5		FGBERM
CCc1csc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)n1	ZINC000179497437	495615488	/nfs/dbraw/zinc/61/54/88/495615488.db2.gz	UENRTDFCIIPGGK-NSHDSACASA-N	-1	0	361.423	3.339	10	5		FGBERM
CC(C)CCSc1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000263157967	497719685	/nfs/dbraw/zinc/71/96/85/497719685.db2.gz	OBMLLWLDRDLIQN-UHFFFAOYSA-N	-1	0	352.412	3.080	10	5		FGBERM
COC(=O)c1ccc(Oc2ncnc([N-]c3nccs3)c2[N+](=O)[O-])cc1	ZINC000040587633	211749808	/nfs/dbraw/zinc/74/98/08/211749808.db2.gz	MUQAXVLPRFILHK-UHFFFAOYSA-N	-1	0	373.350	3.164	10	5		FGBERM
CC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccc(O)cc2oc1=O	ZINC000022060265	211336907	/nfs/dbraw/zinc/33/69/07/211336907.db2.gz	JTCREUDLEYTCAB-HNNXBMFYSA-N	-1	0	369.329	3.223	10	5	world	FGBERM
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000179526730	495628780	/nfs/dbraw/zinc/62/87/80/495628780.db2.gz	LWQMAVRXUIZSSV-KDOFPFPSSA-N	-1	0	356.378	3.029	10	5		FGBERM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000180094200	495856185	/nfs/dbraw/zinc/85/61/85/495856185.db2.gz	YIMZGYZMORGHSH-QAPCUYQASA-N	-1	0	356.378	3.029	10	5		FGBERM
CCc1csc([C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)n1	ZINC000151573756	495883555	/nfs/dbraw/zinc/88/35/55/495883555.db2.gz	CTWBDVAJVZSEJR-LLVKDONJSA-N	-1	0	361.423	3.339	10	5		FGBERM
COc1c(O)ccc2c1cc([N+](=O)[O-])c1c(C(=O)[O-])cc3c(c21)OCO3	ZINC000003606156	560124077	/nfs/dbraw/zinc/12/40/77/560124077.db2.gz	UCLGCTLOEZZSLA-UHFFFAOYSA-N	-1	0	357.274	3.042	10	5	biogenic,in-vivo	FGBERM
COc1ccc(-c2oc3c(CC(=O)[O-])cccc3c(=O)c2[N+](=O)[O-])cc1	ZINC000013526434	210234442	/nfs/dbraw/zinc/23/44/42/210234442.db2.gz	QSSPXECFEMKLJC-UHFFFAOYSA-N	-1	0	355.302	3.004	10	5		FGBERM
Cc1nc(C=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000195503614	496943695	/nfs/dbraw/zinc/94/36/95/496943695.db2.gz	KGQKCPVZLFXNTP-VMPITWQZSA-N	-1	0	371.393	3.298	10	5		FGBERM
O=[N+]([O-])c1ccc(OC(F)(F)F)c(I)c1[S-]	ZINC000575710421	505992287	/nfs/dbraw/zinc/99/22/87/505992287.db2.gz	HUTQVKQABAVYBK-UHFFFAOYSA-N	-1	0	365.070	3.387	10	5		FGBERM
Cc1cccc2sc([N-]c3ncnc(-n4ccnc4)c3[N+](=O)[O-])nc21	ZINC000040650488	211751993	/nfs/dbraw/zinc/75/19/93/211751993.db2.gz	ZDFGSSNOCWAFKS-UHFFFAOYSA-N	-1	0	353.367	3.232	10	5		FGBERM
O=C([O-])c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)cc1O	ZINC000226346599	497081537	/nfs/dbraw/zinc/08/15/37/497081537.db2.gz	BZECNOAWAWLREL-UHFFFAOYSA-N	-1	0	368.139	3.340	10	5		FGBERM
CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-]	ZINC000263402087	497776577	/nfs/dbraw/zinc/77/65/77/497776577.db2.gz	GVJHGWSTLWDCFK-VXGBXAGGSA-N	-1	0	374.315	3.053	10	5		FGBERM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000194339946	713518985	/nfs/dbraw/zinc/51/89/85/713518985.db2.gz	QYKWBJRCESAKPT-DTWKUNHWSA-N	-1	0	370.324	3.133	10	5		FGBERM
CCc1csc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)n1	ZINC000179497428	495614846	/nfs/dbraw/zinc/61/48/46/495614846.db2.gz	UENRTDFCIIPGGK-LLVKDONJSA-N	-1	0	361.423	3.339	10	5		FGBERM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000180094157	495855393	/nfs/dbraw/zinc/85/53/93/495855393.db2.gz	YIMZGYZMORGHSH-YJBOKZPZSA-N	-1	0	356.378	3.029	10	5		FGBERM
COc1cccc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000261859461	497464317	/nfs/dbraw/zinc/46/43/17/497464317.db2.gz	AJTAZZOVMIEGLY-KRWDZBQOSA-N	-1	0	370.361	3.279	10	5		FGBERM
O=C(NC12CC3CC(CC(C3)C1)C2)c1c[n-]c2c(cccc2[N+](=O)[O-])c1=O	ZINC000584655818	507436592	/nfs/dbraw/zinc/43/65/92/507436592.db2.gz	YAZSYUUIYQLMKE-UHFFFAOYSA-N	-1	0	367.405	3.135	10	5		FGBERM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000157397989	496471010	/nfs/dbraw/zinc/47/10/10/496471010.db2.gz	AUFKPAGDKFYZJG-DOTOQJQBSA-N	-1	0	356.378	3.029	10	5		FGBERM
O=C(c1ccc([O-])c(I)c1)c1ccccc1[N+](=O)[O-]	ZINC000584609149	507430938	/nfs/dbraw/zinc/43/09/38/507430938.db2.gz	VHESEWUWDTULLD-UHFFFAOYSA-N	-1	0	369.114	3.136	10	5		FGBERM
CN(CCC(=O)[O-])c1ncnc2scc(-c3cccc([N+](=O)[O-])c3)c21	ZINC000020317942	220322483	/nfs/dbraw/zinc/32/24/83/220322483.db2.gz	FASFXXBNKJUSGY-UHFFFAOYSA-N	-1	0	358.379	3.177	10	5		FGBERM
O=C([O-])[C@H]1CCCN1c1ncnc2scc(-c3cccc([N+](=O)[O-])c3)c21	ZINC000020318127	220322746	/nfs/dbraw/zinc/32/27/46/220322746.db2.gz	MTVGGYXSDUREIU-CYBMUJFWSA-N	-1	0	370.390	3.320	10	5		FGBERM
O=[N+]([O-])c1cc([S-])c(I)cc1OC(F)(F)F	ZINC000575710469	505992176	/nfs/dbraw/zinc/99/21/76/505992176.db2.gz	IINUNTAHLQGHQS-UHFFFAOYSA-N	-1	0	365.070	3.387	10	5		FGBERM
Cc1cc([N-]c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])on1	ZINC000102784708	570838007	/nfs/dbraw/zinc/83/80/07/570838007.db2.gz	NFQGXRNLFUDSMX-BETUJISGSA-N	-1	0	368.349	3.090	10	5		FGBERM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000194339978	713519127	/nfs/dbraw/zinc/51/91/27/713519127.db2.gz	QYKWBJRCESAKPT-RKDXNWHRSA-N	-1	0	370.324	3.133	10	5		FGBERM
CCc1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)n1	ZINC000113440579	495305940	/nfs/dbraw/zinc/30/59/40/495305940.db2.gz	CCIHEHDSDZZEGX-LBPRGKRZSA-N	-1	0	361.423	3.339	10	5		FGBERM
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000179526719	495628850	/nfs/dbraw/zinc/62/88/50/495628850.db2.gz	LWQMAVRXUIZSSV-RDTXWAMCSA-N	-1	0	356.378	3.029	10	5		FGBERM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)s1	ZINC000066327561	494311880	/nfs/dbraw/zinc/31/18/80/494311880.db2.gz	UPUALUJQBFCNSQ-SFYZADRCSA-N	-1	0	358.363	3.056	10	5		FGBERM
O=[N+]([O-])c1cc(I)c([S-])c(OC(F)(F)F)c1	ZINC000575710428	505992336	/nfs/dbraw/zinc/99/23/36/505992336.db2.gz	HWSGVJGIFDZLLS-UHFFFAOYSA-N	-1	0	365.070	3.387	10	5		FGBERM
CCc1csc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)n1	ZINC000184780822	496530345	/nfs/dbraw/zinc/53/03/45/496530345.db2.gz	BIOBOUNLUBJWEA-NSHDSACASA-N	-1	0	361.423	3.339	10	5		FGBERM
CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccccc1[N+](=O)[O-]	ZINC000001551204	560182122	/nfs/dbraw/zinc/18/21/22/560182122.db2.gz	YWCAWHQYKZOIJJ-UHFFFAOYSA-N	-1	0	351.790	3.463	10	5	in-vitro	FGBERM
O=c1[n-]c(=S)[nH]nc1-c1ccccc1NCc1ccc([N+](=O)[O-])cc1	ZINC000001090367	219368767	/nfs/dbraw/zinc/36/87/67/219368767.db2.gz	IZGNULQEMMGFEZ-UHFFFAOYSA-N	-1	0	355.379	3.427	10	5		FGBERM
CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179475779	495606294	/nfs/dbraw/zinc/60/62/94/495606294.db2.gz	OUHPZRCWQKPZIP-KRWDZBQOSA-N	-1	0	356.378	3.293	10	5		FGBERM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000157318599	496453964	/nfs/dbraw/zinc/45/39/64/496453964.db2.gz	NEJUUSJQWQFZME-YOEHRIQHSA-N	-1	0	356.378	3.029	10	5		FGBERM
CC(C)c1nc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])CCCC2)no1	ZINC000187665036	496526457	/nfs/dbraw/zinc/52/64/57/496526457.db2.gz	VYVASVUGNPEIQN-UHFFFAOYSA-N	-1	0	360.370	3.006	10	5		FGBERM
O=C([O-])c1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1	ZINC000237985232	497323048	/nfs/dbraw/zinc/32/30/48/497323048.db2.gz	IFCNQHDFZLXEJU-QWRGUYRKSA-N	-1	0	360.288	3.144	10	5		FGBERM
Cc1cc(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)cc1Cl	ZINC000001044557	219357546	/nfs/dbraw/zinc/35/75/46/219357546.db2.gz	PSOCCUYOZSQCOF-UHFFFAOYSA-N	-1	0	369.782	3.396	10	5		FGBERM
C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)s1	ZINC000123706973	495173684	/nfs/dbraw/zinc/17/36/84/495173684.db2.gz	WOQJVMCDCCDULS-SSDOTTSWSA-N	-1	0	364.807	3.488	10	5		FGBERM
COc1cc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000263532083	497796856	/nfs/dbraw/zinc/79/68/56/497796856.db2.gz	MYLABFOFBMCAII-ZIAGYGMSSA-N	-1	0	364.398	3.065	10	5		FGBERM
O=[N+]([O-])c1ccc(I)c(OC(F)(F)F)c1[S-]	ZINC000575709894	505992243	/nfs/dbraw/zinc/99/22/43/505992243.db2.gz	DELJMMNZTVAELI-UHFFFAOYSA-N	-1	0	365.070	3.387	10	5		FGBERM