smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])cc1	ZINC000006756898	204266899	/nfs/dbraw/zinc/26/68/99/204266899.db2.gz	WHQPBSONJZORAV-UDWIEESQSA-N	-1	0	372.377	4.017	40	30		FIEBRM
N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccc3ccccc3c1)CCCC2	ZINC000040944765	205942265	/nfs/dbraw/zinc/94/22/65/205942265.db2.gz	HLHZYWUTXYIQMX-UHFFFAOYSA-N	-1	0	368.483	4.453	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2cccc(Cl)c2)c1	ZINC000004990949	206239589	/nfs/dbraw/zinc/23/95/89/206239589.db2.gz	ACXRGNWFTASPJJ-FRKPEAEDSA-N	-1	0	355.575	4.467	40	30		FIEBRM
CC([O-])=C1c2ccc(NC(=O)c3ccc4ccccc4c3)cc2N(O)C1=O	ZINC000100970608	222259887	/nfs/dbraw/zinc/25/98/87/222259887.db2.gz	CQXOCENXECGWEP-UNOMPAQXSA-N	-1	0	360.369	4.117	40	30		FIEBRM
C=C1C[C@H](O)[C@H](/C=C/[C@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027640060	518666961	/nfs/dbraw/zinc/66/69/61/518666961.db2.gz	VKEJXDXJUFQESA-OKGRSGSSSA-N	-1	0	350.499	4.238	40	30	in-vitro	FIEBRM
CCCCCCCCCCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000017433608	519981578	/nfs/dbraw/zinc/98/15/78/519981578.db2.gz	ITWIIXBTXPJQJZ-UXHICEINSA-N	-1	0	363.498	4.210	40	30		FIEBRM
C=CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000408621858	570587931	/nfs/dbraw/zinc/58/79/31/570587931.db2.gz	PMAFFHBYTXNOEG-UHFFFAOYSA-N	-1	0	358.246	4.359	40	30		FIEBRM
C=CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1	ZINC000136818272	570630165	/nfs/dbraw/zinc/63/01/65/570630165.db2.gz	MNMPIFACRLMZQX-SMTGANQKSA-N	-1	0	371.487	4.083	40	30		FIEBRM
O=[N+]([O-])c1cc(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2)c1[O-]	ZINC000408935834	570701095	/nfs/dbraw/zinc/70/10/95/570701095.db2.gz	OCZUMCKUURUSBZ-GXHLCREISA-N	-1	0	359.691	4.419	40	30		FIEBRM
COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(C(=O)[O-])c1C	ZINC000409246724	570745499	/nfs/dbraw/zinc/74/54/99/570745499.db2.gz	ASFRUKAKSCWVLW-HYARGMPZSA-N	-1	0	352.434	4.443	40	30		FIEBRM
CCOc1cc([N+](=O)[O-])cc(C=NNc2ccc(Cl)cc2Cl)c1[O-]	ZINC000035188465	571075709	/nfs/dbraw/zinc/07/57/09/571075709.db2.gz	SINRILFOFKAJGG-QGMBQPNBSA-N	-1	0	370.192	4.452	40	30		FIEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000059427109	571090550	/nfs/dbraw/zinc/09/05/50/571090550.db2.gz	MUWIESGZRONLBP-CIAFOILYSA-N	-1	0	363.373	4.451	40	30		FIEBRM
C#CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1	ZINC000211509572	1121219082	/nfs/dbraw/zinc/21/90/82/1121219082.db2.gz	SJFJTDSDEFGLSE-ATVHPVEESA-N	-1	0	351.383	4.058	40	30		FIEBRM
CC(C)[C@@]12CCC(=O)C=C1CCC[C@@H]2OC(=O)c1ccccc1C(=O)[O-]	ZINC000005124587	204193740	/nfs/dbraw/zinc/19/37/40/204193740.db2.gz	PCHQKPBVBNDDJB-RXVVDRJESA-N	-1	0	356.418	4.026	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2cccc(Cl)c2)c1[O-]	ZINC000006220592	204240496	/nfs/dbraw/zinc/24/04/96/204240496.db2.gz	BJXCGZPCCGNPPV-FRKPEAEDSA-N	-1	0	355.575	4.467	40	30		FIEBRM
C=C(CSc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000001574126	518649852	/nfs/dbraw/zinc/64/98/52/518649852.db2.gz	OALCCOMETLGFCO-UHFFFAOYSA-N	-1	0	360.347	4.007	40	30		FIEBRM
CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1	ZINC000001819203	520322659	/nfs/dbraw/zinc/32/26/59/520322659.db2.gz	IJQANIXFLNGWBH-MOSHPQCFSA-N	-1	0	368.462	4.287	40	30		FIEBRM
C/C(=N\c1cccc2cccc(N)c21)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101161189	570510648	/nfs/dbraw/zinc/51/06/48/570510648.db2.gz	BWBBYEAEMNWOHP-ZMOGYAJESA-N	-1	0	357.413	4.120	40	30		FIEBRM
CCc1nnc(C2=C([O-])C(=Cc3c(F)cccc3Cl)SC2=N)s1	ZINC000137371386	570631552	/nfs/dbraw/zinc/63/15/52/570631552.db2.gz	AKOIMASRGOCUIT-GGWXMKDLSA-N	-1	0	367.858	4.311	40	30		FIEBRM
N=C1SC(=Cc2ccc(Br)cc2)C([O-])=C1c1nccs1	ZINC000035376976	570647449	/nfs/dbraw/zinc/64/74/49/570647449.db2.gz	XCFOFMCPHITVKS-YHXJBOQGSA-N	-1	0	365.277	4.323	40	30		FIEBRM
CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000408692084	570649378	/nfs/dbraw/zinc/64/93/78/570649378.db2.gz	DBMYNUVPTZGWCU-LPYMAVHISA-N	-1	0	374.400	4.460	40	30		FIEBRM
COC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)c(C)c1	ZINC000409102137	570724483	/nfs/dbraw/zinc/72/44/83/570724483.db2.gz	UXALAQBCYCGWPJ-LPYMAVHISA-N	-1	0	362.385	4.021	40	30		FIEBRM
C=CCN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2[O-])C1=O	ZINC000409108019	570726827	/nfs/dbraw/zinc/72/68/27/570726827.db2.gz	UKEAZUKBOVHDHA-YHYXMXQVSA-N	-1	0	374.643	4.030	40	30		FIEBRM
COc1cccc(/C=N/c2cccnc2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187218	570736473	/nfs/dbraw/zinc/73/64/73/570736473.db2.gz	NNPKSIVXEIBLCX-FSJBWODESA-N	-1	0	362.385	4.118	40	30		FIEBRM
COc1cc(/C=N\c2ccccc2O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409385384	570754908	/nfs/dbraw/zinc/75/49/08/570754908.db2.gz	KIFDVJMMVBNGRI-NHDPSOOVSA-N	-1	0	367.357	4.022	40	30		FIEBRM
COc1cc(/C=N/c2ccc(O)cc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409384874	570754989	/nfs/dbraw/zinc/75/49/89/570754989.db2.gz	GKDXOEASCIODDW-SRZZPIQSSA-N	-1	0	367.357	4.022	40	30		FIEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl	ZINC000059247925	571088550	/nfs/dbraw/zinc/08/85/50/571088550.db2.gz	UKLWEEWJSMTQRG-CNHKJKLMSA-N	-1	0	369.160	4.116	40	30		FIEBRM
O=C([O-])COc1ccc(/C=N/c2cccc(Br)c2)cc1Cl	ZINC000059302725	571089970	/nfs/dbraw/zinc/08/99/70/571089970.db2.gz	MTCNHHYFHDNBFC-QGMBQPNBSA-N	-1	0	368.614	4.317	40	30		FIEBRM
Cc1cc(Cl)c([O-])c(-c2cc(-c3ccccc3O)c(C#N)c(N)n2)c1	ZINC000035977389	571211570	/nfs/dbraw/zinc/21/15/70/571211570.db2.gz	FQOMFKXNNSSZJM-UHFFFAOYSA-N	-1	0	351.793	4.243	40	30		FIEBRM
CCCCC(=O)Nc1cccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])c1	ZINC000006396820	571310251	/nfs/dbraw/zinc/31/02/51/571310251.db2.gz	IOTRXPWOGIDSAK-UDWIEESQSA-N	-1	0	355.394	4.488	40	30		FIEBRM
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)cc1	ZINC000001438438	204007170	/nfs/dbraw/zinc/00/71/70/204007170.db2.gz	QUVNTSWJKGSENO-LJQANCHMSA-N	-1	0	359.381	4.371	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Cl)cc2)c1[O-]	ZINC000005569336	204216578	/nfs/dbraw/zinc/21/65/78/204216578.db2.gz	INGGZVXMYBGNNE-FRKPEAEDSA-N	-1	0	355.575	4.467	40	30		FIEBRM
CCC[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1	ZINC000005952206	204231849	/nfs/dbraw/zinc/23/18/49/204231849.db2.gz	BUXWHIOIEROXSL-CFVMTHIKSA-N	-1	0	372.490	4.130	40	30		FIEBRM
COc1ccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2[O-])cc1Br	ZINC000035999932	205000814	/nfs/dbraw/zinc/00/08/14/205000814.db2.gz	HIXDUZBWCORCJO-CAOOACKPSA-N	-1	0	365.183	4.131	40	30		FIEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCCC2)c1[O-]	ZINC000066339443	136136894	/nfs/dbraw/zinc/13/68/94/136136894.db2.gz	DAYOFJMGEUKXJZ-DEDYPNTBSA-N	-1	0	355.394	4.050	40	30		FIEBRM
CC/C=C\CC1=C(CCCC[C@@H](CCC(=O)[O-])OC(C)=O)CCC1=O	ZINC000031163939	263390917	/nfs/dbraw/zinc/39/09/17/263390917.db2.gz	QWDCJWDUPSTHHK-CHYADLBTSA-N	-1	0	350.455	4.359	40	30	biogenic,in-vitro	FIEBRM
C=C1C[C@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027640066	518666330	/nfs/dbraw/zinc/66/63/30/518666330.db2.gz	VKEJXDXJUFQESA-SFIVEXQWSA-N	-1	0	350.499	4.238	40	30	in-vitro	FIEBRM
C/C(=N\c1ccccc1N)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643587	570506268	/nfs/dbraw/zinc/50/62/68/570506268.db2.gz	NRYOAZLUSNSHNO-MFKUBSTISA-N	-1	0	369.424	4.419	40	30		FIEBRM
CCOC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000409086987	570721792	/nfs/dbraw/zinc/72/17/92/570721792.db2.gz	IEMIRZWKGYTREC-HYARGMPZSA-N	-1	0	362.385	4.103	40	30		FIEBRM
CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C([O-])=C(C(C)C)C(=O)C2=O	ZINC000018085500	571191610	/nfs/dbraw/zinc/19/16/10/571191610.db2.gz	XDBVTCDGDQLEKG-OKHZJLECSA-N	-1	0	374.477	4.071	40	30		FIEBRM
O=c1c(N=Nc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000005603855	204217095	/nfs/dbraw/zinc/21/70/95/204217095.db2.gz	KIWOUWOTXLVOPG-LPYMAVHISA-N	-1	0	366.730	4.073	40	30		FIEBRM
C/C(=N\c1cccnc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370422	205943716	/nfs/dbraw/zinc/94/37/16/205943716.db2.gz	RJUOQXJGNOCZGL-BUVRLJJBSA-N	-1	0	355.397	4.232	40	30		FIEBRM
O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2ccc(Cl)cc2)cc1	ZINC000100399301	206223410	/nfs/dbraw/zinc/22/34/10/206223410.db2.gz	JLJRPFJAPGMEJM-CIAFOILYSA-N	-1	0	371.849	4.286	40	30		FIEBRM
COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(=O)[O-])cc1C	ZINC000409230261	263543372	/nfs/dbraw/zinc/54/33/72/263543372.db2.gz	XWQPGXXIMOPUQQ-HYARGMPZSA-N	-1	0	352.434	4.443	40	30		FIEBRM
O=C([O-])CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CC[C@@H](O)CCc1ccccc1	ZINC000027639162	527573063	/nfs/dbraw/zinc/57/30/63/527573063.db2.gz	ZHCXQFHXZFWVRT-UJPRJSBMSA-N	-1	0	370.489	4.333	40	30	in-vitro	FIEBRM
O=C([O-])c1cccc2c1-c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1C2=O	ZINC000001713219	570505579	/nfs/dbraw/zinc/50/55/79/570505579.db2.gz	VKSURLDBHGEESY-AUEPDCJTSA-N	-1	0	371.348	4.076	40	30		FIEBRM
O=C(COc1ccc(Cl)cc1/C=N\[O-])Nc1ccc(Cl)c(Cl)c1	ZINC000408551355	570543193	/nfs/dbraw/zinc/54/31/93/570543193.db2.gz	CFQOKYNLSCWEAZ-GXHLCREISA-N	-1	0	373.623	4.472	40	30		FIEBRM
CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000408692092	570649185	/nfs/dbraw/zinc/64/91/85/570649185.db2.gz	DEBGUOZQJUKPRH-LPYMAVHISA-N	-1	0	374.400	4.460	40	30		FIEBRM
COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OC[C@H](C)C(=O)[O-]	ZINC000408842311	570691188	/nfs/dbraw/zinc/69/11/88/570691188.db2.gz	KECUCCFXSNCIFT-XACIZNRCSA-N	-1	0	370.426	4.124	40	30		FIEBRM
CN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000409061111	570718990	/nfs/dbraw/zinc/71/89/90/570718990.db2.gz	VIULUNMHHNXGGT-GOIJELEESA-N	-1	0	372.833	4.272	40	30		FIEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccccc1N1CCOCC1	ZINC000016449154	570856297	/nfs/dbraw/zinc/85/62/97/570856297.db2.gz	GQBCOFXZSHDYLG-RGVLZGJSSA-N	-1	0	351.233	4.286	40	30		FIEBRM
N=C1SC(=Cc2ccc(N3CCCCC3)o2)C([O-])=C1c1nccs1	ZINC000033665044	571310595	/nfs/dbraw/zinc/31/05/95/571310595.db2.gz	UJZUJYRXXSSNIV-MAWDRXTKSA-N	-1	0	359.476	4.144	40	30		FIEBRM
CCCCC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])cc(C)c2[O-])c1	ZINC000038179878	571310802	/nfs/dbraw/zinc/31/08/02/571310802.db2.gz	FWLINAQEDXEKIX-UDWIEESQSA-N	-1	0	355.394	4.488	40	30		FIEBRM
O=C([O-])CCC/C=C/C[C@H]1C(=O)C=C[C@@H]1CC[C@@H](O)CCc1ccccc1	ZINC000149746782	571311131	/nfs/dbraw/zinc/31/11/31/571311131.db2.gz	ZHCXQFHXZFWVRT-QSQTYWADSA-N	-1	0	370.489	4.333	40	30		FIEBRM
O=C([O-])C(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)=C1SCCCS1	ZINC000062716095	571319847	/nfs/dbraw/zinc/31/98/47/571319847.db2.gz	MKAIXXDNJDXBOO-QPJJXVBHSA-N	-1	0	374.405	4.454	40	30		FIEBRM
CCCCOC(=O)c1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003059643	204076642	/nfs/dbraw/zinc/07/66/42/204076642.db2.gz	YEWMSZAUCWNKCR-UDWIEESQSA-N	-1	0	356.378	4.316	40	30		FIEBRM
CC(C)=CCc1cc(C(=O)[O-])cc(CC[C@@H](C)C(=O)/C=C/C(C)(C)O)c1O	ZINC000049181020	206086714	/nfs/dbraw/zinc/08/67/14/206086714.db2.gz	LQMRAHHWCLZHQD-AUECHBEKSA-N	-1	0	374.477	4.064	40	30	biogenic,in-vitro	FIEBRM
NC(=O)c1c(/N=C\c2cc(Cl)cc(Cl)c2[O-])sc2c1CCCC2	ZINC000100484649	206224136	/nfs/dbraw/zinc/22/41/36/206224136.db2.gz	HCGGKKKPEDTXAG-SCDVKCJHSA-N	-1	0	369.273	4.489	40	30		FIEBRM
O=c1[n-][nH]c(=O)c2cccc(N=Cc3c4ccccc4cc4ccccc43)c12	ZINC000102976549	222316015	/nfs/dbraw/zinc/31/60/15/222316015.db2.gz	JMSQXXXAQNCHKF-ZMOGYAJESA-N	-1	0	365.392	4.273	40	30		FIEBRM
N=C1SC(=Cc2cccc(Br)c2)C([O-])=C1c1nccs1	ZINC000135989706	570629056	/nfs/dbraw/zinc/62/90/56/570629056.db2.gz	HVYRTFFVHSWVSQ-AAZDMDIYSA-N	-1	0	365.277	4.323	40	30		FIEBRM
O=C([O-])c1cc(/C=N/c2nc(-c3ccccc3)cs2)c2c(c1)COCO2	ZINC000001063701	570641992	/nfs/dbraw/zinc/64/19/92/570641992.db2.gz	GNRDBIOLIKGBDS-DNTJNYDQSA-N	-1	0	366.398	4.125	40	30		FIEBRM
CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000035657274	570687924	/nfs/dbraw/zinc/68/79/24/570687924.db2.gz	CDVKHEIIWOJPOR-BRQLWOPXSA-N	-1	0	370.405	4.148	40	30		FIEBRM
CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000409225786	570741779	/nfs/dbraw/zinc/74/17/79/570741779.db2.gz	LASOWRRWYAGPHS-HMAPJEAMSA-N	-1	0	362.385	4.103	40	30		FIEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1	ZINC000082374959	571306718	/nfs/dbraw/zinc/30/67/18/571306718.db2.gz	NYQSGWKZPWHMFB-RGVLZGJSSA-N	-1	0	356.426	4.103	40	30		FIEBRM
C=CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC	ZINC000137782077	571310978	/nfs/dbraw/zinc/31/09/78/571310978.db2.gz	RZMDJGRRNVTMRT-PAOGCMMFSA-N	-1	0	372.471	4.134	40	30		FIEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccc(Br)c3cccnc23)c1[O-]	ZINC000005344195	204205033	/nfs/dbraw/zinc/20/50/33/204205033.db2.gz	XCKKZVQNAQTJIS-OCKHKDLRSA-N	-1	0	372.178	4.362	40	30		FIEBRM
Cc1ccc(NC(=S)N/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000003184820	206159572	/nfs/dbraw/zinc/15/95/72/206159572.db2.gz	KBSHBHNOGFHWMS-QGMBQPNBSA-N	-1	0	354.262	4.328	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc(Cl)cc2)c1[O-]	ZINC000109059168	206247491	/nfs/dbraw/zinc/24/74/91/206247491.db2.gz	INGGZVXMYBGNNE-APSNUPSMSA-N	-1	0	355.575	4.467	40	30		FIEBRM
COc1ccc(CN=Nc2nc(-c3ccccc3[O-])nc3ccccc32)cc1	ZINC000004713200	263336437	/nfs/dbraw/zinc/33/64/37/263336437.db2.gz	XXRVRFCPWPWQJN-OEAKJJBVSA-N	-1	0	370.412	4.457	40	30		FIEBRM
Cc1c(/N=C2\S/C(=C\c3cccc(F)c3)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408936291	263508952	/nfs/dbraw/zinc/50/89/52/263508952.db2.gz	PBHPPMAVFJRLOL-STCVOBJUSA-N	-1	0	370.405	4.066	40	30		FIEBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21	ZINC000409163868	263536534	/nfs/dbraw/zinc/53/65/34/263536534.db2.gz	YXLYFRWTGOJDFH-CBGDNZLLSA-N	-1	0	360.413	4.422	40	30		FIEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1OC	ZINC000001306981	520856126	/nfs/dbraw/zinc/85/61/26/520856126.db2.gz	SSNMHSHQMKVWNM-NDENLUEZSA-N	-1	0	368.462	4.206	40	30		FIEBRM
Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000005530532	570629916	/nfs/dbraw/zinc/62/99/16/570629916.db2.gz	UCIFGUBPDPDACR-UHFFFAOYSA-N	-1	0	371.392	4.255	40	30		FIEBRM
O=C([O-])COc1ccc(/C=N\c2ccccc2Br)cc1Cl	ZINC000408854258	570692889	/nfs/dbraw/zinc/69/28/89/570692889.db2.gz	BAKVCARFUPIYRB-LSCVHKIXSA-N	-1	0	368.614	4.317	40	30		FIEBRM
Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408913000	570697990	/nfs/dbraw/zinc/69/79/90/570697990.db2.gz	JLGHSYBPGIJDBS-SSDVNMTOSA-N	-1	0	362.385	4.272	40	30		FIEBRM
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2ccc(C(=O)[O-])cc2)o1	ZINC000408911478	570698347	/nfs/dbraw/zinc/69/83/47/570698347.db2.gz	NMHMJSBQRHSHRR-RGVLZGJSSA-N	-1	0	366.329	4.312	40	30		FIEBRM
COC(=O)c1ccccc1/N=C\c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000408960322	570702922	/nfs/dbraw/zinc/70/29/22/570702922.db2.gz	DVUFATPUHCXENK-UUYOSTAYSA-N	-1	0	363.369	4.490	40	30		FIEBRM
COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000408963159	570703838	/nfs/dbraw/zinc/70/38/38/570703838.db2.gz	XMKHRBSICCKBDG-WSDLNYQXSA-N	-1	0	363.369	4.490	40	30		FIEBRM
O=[N+]([O-])c1cc(/C=N\c2ccc(Br)cn2)c([O-])c2ccccc21	ZINC000034097992	571085500	/nfs/dbraw/zinc/08/55/00/571085500.db2.gz	ZKYVIQPYXMVAHE-LSCVHKIXSA-N	-1	0	372.178	4.362	40	30		FIEBRM
C=CCc1cc(/C=N/c2ccc(C)c(C)c2)cc(OC)c1OCC(=O)[O-]	ZINC000059679608	571092291	/nfs/dbraw/zinc/09/22/91/571092291.db2.gz	OIDJEBRLYMBRED-WSDLNYQXSA-N	-1	0	353.418	4.255	40	30		FIEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(Br)cc2)cc1Cl	ZINC000059679008	571092346	/nfs/dbraw/zinc/09/23/46/571092346.db2.gz	UWEARNWFMDBSIK-QGMBQPNBSA-N	-1	0	368.614	4.317	40	30		FIEBRM
COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000103862853	571147303	/nfs/dbraw/zinc/14/73/03/571147303.db2.gz	TZCNTZZFIGMXSD-QGMBQPNBSA-N	-1	0	370.630	4.498	40	30		FIEBRM
CC(=N\c1ccc(Br)cc1)/C(=N\[O-])C(=O)Nc1ccccc1	ZINC000045920360	571205690	/nfs/dbraw/zinc/20/56/90/571205690.db2.gz	JNEZNNSSJXECHT-VPMBNJIQSA-N	-1	0	360.211	4.010	40	30		FIEBRM
CCc1nnc(C2=C([O-])C(=Cc3c(F)cccc3Cl)SC2=N)s1	ZINC000033778192	571310634	/nfs/dbraw/zinc/31/06/34/571310634.db2.gz	AKOIMASRGOCUIT-KFMFNYJESA-N	-1	0	367.858	4.311	40	30		FIEBRM
CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000035656924	571310711	/nfs/dbraw/zinc/31/07/11/571310711.db2.gz	GRUSIIPEISKQBL-HXKPCNSASA-N	-1	0	364.426	4.175	40	30		FIEBRM
O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2ccccc2Cl)cc1	ZINC000100390322	206223879	/nfs/dbraw/zinc/22/38/79/206223879.db2.gz	ZEQHKUYBVIKJKJ-CIAFOILYSA-N	-1	0	371.849	4.286	40	30		FIEBRM
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1	ZINC000000990867	206225599	/nfs/dbraw/zinc/22/55/99/206225599.db2.gz	NZDSLAZGOHKGCW-MOPGFXCFSA-N	-1	0	364.401	4.180	40	30		FIEBRM
O=C([O-])c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1	ZINC000408950016	263509059	/nfs/dbraw/zinc/50/90/59/263509059.db2.gz	DCAFYLOTUIYDHK-GIDUJCDVSA-N	-1	0	373.000	4.253	40	30		FIEBRM
COc1cc(/C=N/c2cccnc2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408963866	263510604	/nfs/dbraw/zinc/51/06/04/263510604.db2.gz	AMUJSLLCEHWGBY-FSJBWODESA-N	-1	0	362.385	4.118	40	30		FIEBRM
C/C(=N\c1ccc(N)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370386	570503305	/nfs/dbraw/zinc/50/33/05/570503305.db2.gz	YXEPXOUVZGLYDD-MFKUBSTISA-N	-1	0	369.424	4.419	40	30		FIEBRM
O=C([O-])c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1	ZINC000408844482	570691308	/nfs/dbraw/zinc/69/13/08/570691308.db2.gz	JMVHJPLPSRABDH-VCHYOVAHSA-N	-1	0	363.211	4.091	40	30		FIEBRM
[O-]c1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl	ZINC000408930663	570700658	/nfs/dbraw/zinc/70/06/58/570700658.db2.gz	AJCJYZNUINDMRJ-RGVLZGJSSA-N	-1	0	351.233	4.286	40	30		FIEBRM
CCOC(=O)c1cccc(/N=C\c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000409094573	570721226	/nfs/dbraw/zinc/72/12/26/570721226.db2.gz	DYRISDOHDRCPQF-HMAPJEAMSA-N	-1	0	362.385	4.103	40	30		FIEBRM
COc1cc(/C=N/c2ccc(F)cc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409384790	570754972	/nfs/dbraw/zinc/75/49/72/570754972.db2.gz	DFCSPFXCXMIHIM-SSDVNMTOSA-N	-1	0	369.348	4.455	40	30		FIEBRM
COc1cc([N+](=O)[O-])cc(/C=N\c2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000016195018	570852057	/nfs/dbraw/zinc/85/20/57/570852057.db2.gz	KQZHNSMFCCTOOF-MOSHPQCFSA-N	-1	0	355.394	4.050	40	30		FIEBRM
CCCCn1c2ccccc2nc1/N=C/c1cc(OC)cc([N+](=O)[O-])c1[O-]	ZINC000019419159	570888413	/nfs/dbraw/zinc/88/84/13/570888413.db2.gz	LLININHXYHDVJN-UDWIEESQSA-N	-1	0	368.393	4.209	40	30		FIEBRM
CCCCC(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])c1	ZINC000006396814	571310271	/nfs/dbraw/zinc/31/02/71/571310271.db2.gz	FUWSZSMBKCYZGL-UDWIEESQSA-N	-1	0	371.393	4.188	40	30		FIEBRM
N#CC(=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	ZINC000001624661	204015020	/nfs/dbraw/zinc/01/50/20/204015020.db2.gz	COENYRMXXJLMLM-LBPRGKRZSA-N	-1	0	367.619	4.462	40	30		FIEBRM
Oc1ccccc1/C=N\NC(=S)Nc1cccc2cc3ccccc3nc21	ZINC000004707234	204156869	/nfs/dbraw/zinc/15/68/69/204156869.db2.gz	JPBICJSUJBVKIM-XKZIYDEJSA-N	-1	0	372.453	4.414	40	30		FIEBRM
CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000005841408	204227342	/nfs/dbraw/zinc/22/73/42/204227342.db2.gz	YOWIOHRYKWTYOQ-DJKKODMXSA-N	-1	0	361.785	4.299	40	30		FIEBRM
Cc1cccc(NC(=O)C([O-])=C(C#N)c2c(Cl)cccc2Cl)c1C	ZINC000006491187	204251230	/nfs/dbraw/zinc/25/12/30/204251230.db2.gz	OYNBCJDPQWTTKR-LBPRGKRZSA-N	-1	0	361.228	4.425	40	30		FIEBRM
Cc1cc2sc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])nc2c(C)c1	ZINC000036008912	204356545	/nfs/dbraw/zinc/35/65/45/204356545.db2.gz	WGYRKUISXJBVLY-REZTVBANSA-N	-1	0	372.362	4.186	40	30		FIEBRM
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000006263834	263344593	/nfs/dbraw/zinc/34/45/93/263344593.db2.gz	JSKAEGHBILUTRI-VXLYETTFSA-N	-1	0	361.785	4.443	40	30		FIEBRM
CCCOc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1OC	ZINC000013338522	520323111	/nfs/dbraw/zinc/32/31/11/520323111.db2.gz	URMMKFDZEOZYLC-RGVLZGJSSA-N	-1	0	362.813	4.282	40	30		FIEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1OC	ZINC000001475375	520856050	/nfs/dbraw/zinc/85/60/50/520856050.db2.gz	CEAFSWQAMYWBDV-UNOMPAQXSA-N	-1	0	360.483	4.278	40	30		FIEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OC(C)C)cc3)SC2=N)s1	ZINC000137192895	570631038	/nfs/dbraw/zinc/63/10/38/570631038.db2.gz	SDBQEXZLGRPNQL-LIJALFLSSA-N	-1	0	373.503	4.306	40	30		FIEBRM
CCOc1ccc2sc(N=Cc3cc([N+](=O)[O-])cc(OC)c3[O-])nc2c1	ZINC000254904585	571291998	/nfs/dbraw/zinc/29/19/98/571291998.db2.gz	GRDIIPSRMPXGMP-UHFFFAOYSA-N	-1	0	373.390	4.068	40	30		FIEBRM
CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000039557333	263399343	/nfs/dbraw/zinc/39/93/43/263399343.db2.gz	IFRDNVZVCRJSLU-WXUSHSQQSA-N	-1	0	369.417	4.246	40	30		FIEBRM
C=CCc1cccc(C=Nn2c(-c3ccc(C)cc3)n[n-]c2=S)c1O	ZINC000037501444	519141543	/nfs/dbraw/zinc/14/15/43/519141543.db2.gz	DLSLPFJDNWPCJO-NDENLUEZSA-N	-1	0	350.447	4.232	40	30		FIEBRM
CCCCCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000226857621	520019654	/nfs/dbraw/zinc/01/96/54/520019654.db2.gz	BXQBYODWBKJLBF-UHFFFAOYSA-N	-1	0	355.500	4.112	40	30		FIEBRM
O=C([O-])CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1	ZINC000001536934	527584450	/nfs/dbraw/zinc/58/44/50/527584450.db2.gz	GLLPUTYLZIKEGF-HAVVHWLPSA-N	-1	0	366.339	4.124	40	30	world	FIEBRM
O=C([O-])COc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1	ZINC000066033553	527617035	/nfs/dbraw/zinc/61/70/35/527617035.db2.gz	DCUDBWMZJBOZAB-WAPJZHGLSA-N	-1	0	351.185	4.353	40	30		FIEBRM
CCN(CC)c1ccc(/C=N/c2cccc(-c3n[n-]c(=N)s3)c2)cc1	ZINC000408718456	570672969	/nfs/dbraw/zinc/67/29/69/570672969.db2.gz	YMQHCUQRIQTYBR-FYJGNVAPSA-N	-1	0	351.479	4.214	40	30		FIEBRM
Cc1cc(/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1C	ZINC000408934790	570701068	/nfs/dbraw/zinc/70/10/68/570701068.db2.gz	MMPUAIZBTQHABA-MTJSOVHGSA-N	-1	0	363.373	4.451	40	30		FIEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(Br)c(Cl)c2)c1[O-]	ZINC000409095068	570721096	/nfs/dbraw/zinc/72/10/96/570721096.db2.gz	HCLXVSOHRLBVPH-FRKPEAEDSA-N	-1	0	355.575	4.467	40	30		FIEBRM
CC(=O)c1ccc(N=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000409105090	570726081	/nfs/dbraw/zinc/72/60/81/570726081.db2.gz	JCXFVNYXHJBPGD-CAOOACKPSA-N	-1	0	363.167	4.016	40	30		FIEBRM
Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409210432	570740539	/nfs/dbraw/zinc/74/05/39/570740539.db2.gz	JZCHMGYNVRIMNB-MTJSOVHGSA-N	-1	0	363.373	4.451	40	30		FIEBRM
COC(=O)c1cccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)c1C	ZINC000409240458	570743481	/nfs/dbraw/zinc/74/34/81/570743481.db2.gz	PUTWDBXJAJHLQK-LPYMAVHISA-N	-1	0	362.385	4.021	40	30		FIEBRM
CCN(CC)c1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1	ZINC000409232531	570744420	/nfs/dbraw/zinc/74/44/20/570744420.db2.gz	QRSMQGIWBCDWBP-QQHUYRGFSA-N	-1	0	370.449	4.144	40	30		FIEBRM
COc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1O[C@H](C)C(=O)[O-]	ZINC000409242283	570746276	/nfs/dbraw/zinc/74/62/76/570746276.db2.gz	QHTYNXUCKUIPQO-KTMXNEEYSA-N	-1	0	351.761	4.090	40	30		FIEBRM
CCc1ccc(/N=C2/S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1	ZINC000100299393	570760349	/nfs/dbraw/zinc/76/03/49/570760349.db2.gz	MJOBUCCHOSZYLY-UCEMORSKSA-N	-1	0	366.442	4.181	40	30		FIEBRM
N=C1SC(=Cc2cccc(Br)c2)C([O-])=C1c1nccs1	ZINC000108218089	571310940	/nfs/dbraw/zinc/31/09/40/571310940.db2.gz	HVYRTFFVHSWVSQ-YHXJBOQGSA-N	-1	0	365.277	4.323	40	30		FIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(-c3nc4ncccc4o3)c2)c1	ZINC000003042677	571343995	/nfs/dbraw/zinc/34/39/95/571343995.db2.gz	DUCOLNPORBMRRQ-SRZZPIQSSA-N	-1	0	360.329	4.254	40	30		FIEBRM
COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c([O-])c1Br	ZINC000004808190	207049551	/nfs/dbraw/zinc/04/95/51/207049551.db2.gz	SMCXTJBQMQBLHX-CMDGGOBGSA-N	-1	0	363.207	4.068	40	30		FIEBRM
C/C(C[C@@H](CC(=O)[O-])c1cn(Cc2ccccc2)c2ccccc12)=N\O	ZINC000005260663	207090199	/nfs/dbraw/zinc/09/01/99/207090199.db2.gz	WFCCJWKTCQENHL-HINJULBWSA-N	-1	0	350.418	4.488	40	30		FIEBRM
O=C([O-])c1nc(Cl)c(Cl)c(N=NCc2cccs2)c1Cl	ZINC000006226216	207133997	/nfs/dbraw/zinc/13/39/97/207133997.db2.gz	WFHHMEWVVOXYQB-SYZQJQIISA-N	-1	0	350.614	4.248	40	30		FIEBRM
COc1cc(O)c(CC=C(C)C)c([O-])c1C(=O)/C=C\c1ccc(O)cc1	ZINC000028539354	522769250	/nfs/dbraw/zinc/76/92/50/522769250.db2.gz	ORXQGKIUCDPEAJ-XFFZJAGNSA-N	-1	0	354.402	4.217	40	30	biogenic,in-vitro	FIEBRM
O=C([O-])c1ccc(Cn2cc(/C=N\c3cccc(O)c3)c3ccccc32)o1	ZINC000408545061	570527195	/nfs/dbraw/zinc/52/71/95/570527195.db2.gz	YVICSFZZWGDUIW-JJFYIABZSA-N	-1	0	360.369	4.437	40	30		FIEBRM
COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409385943	570756568	/nfs/dbraw/zinc/75/65/68/570756568.db2.gz	OSXOUQRALAHJGQ-SSDVNMTOSA-N	-1	0	369.348	4.455	40	30		FIEBRM
O=C1C(=O)C(C=CC(C(F)(F)F)C(F)(F)F)=C([O-])c2ccccc21	ZINC000016925344	570863276	/nfs/dbraw/zinc/86/32/76/570863276.db2.gz	QDLKRNRZBLFMMG-AATRIKPKSA-N	-1	0	350.214	4.175	40	30		FIEBRM
C=CCc1cc(/C=N/c2cccc(Cl)c2)cc(OC)c1OCC(=O)[O-]	ZINC000059249177	571088540	/nfs/dbraw/zinc/08/85/40/571088540.db2.gz	PPFBKIOOWGCRFG-SRZZPIQSSA-N	-1	0	359.809	4.291	40	30		FIEBRM
CC(C)N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N/c1ccccc1	ZINC000096466750	571098341	/nfs/dbraw/zinc/09/83/41/571098341.db2.gz	CVGFQPNVJZOWJN-UCEMORSKSA-N	-1	0	366.442	4.397	40	30		FIEBRM
CCC[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1	ZINC000005952209	571169364	/nfs/dbraw/zinc/16/93/64/571169364.db2.gz	BUXWHIOIEROXSL-QEJZJMRPSA-N	-1	0	372.490	4.130	40	30		FIEBRM
COc1ccccc1/C=N/c1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl	ZINC000005514981	207103474	/nfs/dbraw/zinc/10/34/74/207103474.db2.gz	XHAVRIZWLRXUSD-NGYBGAFCSA-N	-1	0	359.596	4.499	40	30		FIEBRM
O=C1c2ccccc2C(=O)C1=Cc1cc(Cl)cc(Br)c1[O-]	ZINC000032116902	208024913	/nfs/dbraw/zinc/02/49/13/208024913.db2.gz	WLBSIGVQGNNDOO-UHFFFAOYSA-N	-1	0	363.594	4.271	40	30		FIEBRM
CCCCC(=O)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1OC	ZINC000032115565	208025703	/nfs/dbraw/zinc/02/57/03/208025703.db2.gz	MEXMOXTVPRIINU-UDWIEESQSA-N	-1	0	371.393	4.188	40	30		FIEBRM
CC(C)(C)c1ccc(OCCN2c3ccc(Cl)cc3/C(=N/[O-])C2=O)cc1	ZINC000039854137	208214941	/nfs/dbraw/zinc/21/49/41/208214941.db2.gz	RVVLBYAFLZOJDH-PYCFMQQDSA-N	-1	0	372.852	4.241	40	30		FIEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1	ZINC000408913235	570698879	/nfs/dbraw/zinc/69/88/79/570698879.db2.gz	UGIIIHRLWQMYMH-JAIQZWGSSA-N	-1	0	365.345	4.307	40	30		FIEBRM
O=C([O-])c1cccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)c1	ZINC000409085540	570720668	/nfs/dbraw/zinc/72/06/68/570720668.db2.gz	DFWXKKSFLUYKRV-KSEXSDGBSA-N	-1	0	374.322	4.035	40	30		FIEBRM
COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000409255749	570746633	/nfs/dbraw/zinc/74/66/33/570746633.db2.gz	ZNOKDVPBCLKBNF-LPYMAVHISA-N	-1	0	362.385	4.021	40	30		FIEBRM
COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)c1OC	ZINC000013350274	570777150	/nfs/dbraw/zinc/77/71/50/570777150.db2.gz	XQBBTYCKDXTERC-UFWORHAWSA-N	-1	0	369.204	4.155	40	30		FIEBRM
CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000033309068	571084472	/nfs/dbraw/zinc/08/44/72/571084472.db2.gz	OIUGRIXNIFLTPJ-DOXJHMMXSA-N	-1	0	352.415	4.009	40	30		FIEBRM
C=CCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000098092330	206704062	/nfs/dbraw/zinc/70/40/62/206704062.db2.gz	ZZWOKVRONYEEBJ-JOCHJYFZSA-N	-1	0	365.429	4.335	40	30		FIEBRM
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000006263833	263344499	/nfs/dbraw/zinc/34/44/99/263344499.db2.gz	DZKFFRMWNVOWRA-VXLYETTFSA-N	-1	0	361.785	4.443	40	30		FIEBRM
CCOc1ccccc1/N=C\c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000409106911	263527029	/nfs/dbraw/zinc/52/70/29/263527029.db2.gz	PXKQMBIAPGUUDH-MFOYZWKCSA-N	-1	0	365.183	4.212	40	30		FIEBRM
CCN(CC)c1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1	ZINC000409232532	263544596	/nfs/dbraw/zinc/54/45/96/263544596.db2.gz	QRSMQGIWBCDWBP-WXUSHSQQSA-N	-1	0	370.449	4.144	40	30		FIEBRM
CCCCCCCCCCCC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccccc1	ZINC000017433605	519982206	/nfs/dbraw/zinc/98/22/06/519982206.db2.gz	ITWIIXBTXPJQJZ-PMACEKPBSA-N	-1	0	363.498	4.210	40	30		FIEBRM
O=[N+]([O-])c1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)ccc1Cl	ZINC000254619133	527328747	/nfs/dbraw/zinc/32/87/47/527328747.db2.gz	YAQJTZQUJGVZTK-UHFFFAOYSA-N	-1	0	359.798	4.051	40	30		FIEBRM
O=C([O-])c1ccc(Cn2cc(C=NNc3ccccc3)c3ccccc32)o1	ZINC000408542923	570526603	/nfs/dbraw/zinc/52/66/03/570526603.db2.gz	LTPGOEPZACEVTK-WSDLNYQXSA-N	-1	0	359.385	4.427	40	30		FIEBRM
O=C([O-])c1ccc(Cn2cc(/C=N/c3ccc(O)cc3)c3ccccc32)o1	ZINC000408542034	570526660	/nfs/dbraw/zinc/52/66/60/570526660.db2.gz	JGZCWSZCDPMIEY-SSDVNMTOSA-N	-1	0	360.369	4.437	40	30		FIEBRM
COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)cn1	ZINC000408913638	570698872	/nfs/dbraw/zinc/69/88/72/570698872.db2.gz	MQCYPOSTYRYKIP-JJFYIABZSA-N	-1	0	363.417	4.255	40	30		FIEBRM
O=C([O-])c1ccc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)cc1O	ZINC000409182047	570736992	/nfs/dbraw/zinc/73/69/92/570736992.db2.gz	ICCLMPBEZHMCLG-AATRIKPKSA-N	-1	0	352.173	4.206	40	30		FIEBRM
Cc1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Br)c2)cc1C	ZINC000409213148	570741020	/nfs/dbraw/zinc/74/10/20/570741020.db2.gz	SOYAPSXPKVJZOR-DJKKODMXSA-N	-1	0	362.223	4.280	40	30		FIEBRM
C=CCOc1c(Cl)cc(C=NNc2cccc(C(=O)[O-])c2)cc1OC	ZINC000036623599	570840310	/nfs/dbraw/zinc/84/03/10/570840310.db2.gz	YDVRUCSLNKJJCB-JAIQZWGSSA-N	-1	0	360.797	4.058	40	30		FIEBRM
O=C([O-])CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)CCc1ccccc1	ZINC000027639138	571016408	/nfs/dbraw/zinc/01/64/08/571016408.db2.gz	PBMAXTSZSCARIG-RNCKHNGXSA-N	-1	0	368.473	4.109	40	30	in-vitro	FIEBRM
Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S1	ZINC000059224347	571088161	/nfs/dbraw/zinc/08/81/61/571088161.db2.gz	BOBGNGAMWIFQHZ-NVNXTCNLSA-N	-1	0	372.833	4.238	40	30		FIEBRM
Cc1cc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1Br	ZINC000059249374	571088856	/nfs/dbraw/zinc/08/88/56/571088856.db2.gz	HYPTZHJUVJSJAG-NJDFMEINSA-N	-1	0	362.223	4.360	40	30		FIEBRM
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S	ZINC000002067855	571234790	/nfs/dbraw/zinc/23/47/90/571234790.db2.gz	HDWIFHNHYUITFB-GDNBJRDFSA-N	-1	0	371.439	4.032	40	30		FIEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OC(C)C	ZINC000108223458	571311031	/nfs/dbraw/zinc/31/10/31/571311031.db2.gz	FGWQTABDFFVFKB-UTYDTHAWSA-N	-1	0	374.487	4.357	40	30		FIEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(C(F)(F)F)c2)c1[O-]	ZINC000003033972	571343824	/nfs/dbraw/zinc/34/38/24/571343824.db2.gz	AZAWJDWEFIKDBA-AWQFTUOYSA-N	-1	0	354.284	4.469	40	30		FIEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2	ZINC000003153396	571345166	/nfs/dbraw/zinc/34/51/66/571345166.db2.gz	VHLMXAIMPOSQKF-QGMBQPNBSA-N	-1	0	368.614	4.330	40	30		FIEBRM
CC(=O)[N-]S(=O)(=O)c1ccc(NN=Nc2ccccc2Cl)cc1	ZINC000017128909	207612441	/nfs/dbraw/zinc/61/24/41/207612441.db2.gz	HVTDDEDHPNEESM-UHFFFAOYSA-N	-1	0	352.803	4.116	40	30		FIEBRM
Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S1	ZINC000408885197	263504270	/nfs/dbraw/zinc/50/42/70/263504270.db2.gz	YHMXRLHYGORXRW-DHDCSXOGSA-N	-1	0	372.833	4.238	40	30		FIEBRM
Cc1c(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408933386	263507920	/nfs/dbraw/zinc/50/79/20/263507920.db2.gz	JEFJRHMYJRZOTG-STCVOBJUSA-N	-1	0	370.405	4.066	40	30		FIEBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21	ZINC000409163869	263536225	/nfs/dbraw/zinc/53/62/25/263536225.db2.gz	YXLYFRWTGOJDFH-LLGFUMIMSA-N	-1	0	360.413	4.422	40	30		FIEBRM
COc1cc(/C=N\c2ccccc2F)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409387008	263555274	/nfs/dbraw/zinc/55/52/74/263555274.db2.gz	YOUFCKDDENHWJW-JJFYIABZSA-N	-1	0	369.348	4.455	40	30		FIEBRM
Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000007890801	526295066	/nfs/dbraw/zinc/29/50/66/526295066.db2.gz	JNBNOLGVKQGWQO-SRZZPIQSSA-N	-1	0	368.824	4.037	40	30		FIEBRM
O=C([O-])CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)CCc1ccccc1	ZINC000100013106	527572999	/nfs/dbraw/zinc/57/29/99/527572999.db2.gz	PBMAXTSZSCARIG-MYXJTBLNSA-N	-1	0	368.473	4.109	40	30	in-vitro	FIEBRM
C=CCc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1O	ZINC000002280426	570517941	/nfs/dbraw/zinc/51/79/41/570517941.db2.gz	IMTKZZBHOQVUNU-JAIQZWGSSA-N	-1	0	370.865	4.204	40	30		FIEBRM
C=CCc1cc(/C=N\c2ccccc2OCC)cc(OC)c1OCC(=O)[O-]	ZINC000408820586	570690087	/nfs/dbraw/zinc/69/00/87/570690087.db2.gz	XAFLSQWZVDASPO-XKZIYDEJSA-N	-1	0	369.417	4.036	40	30		FIEBRM
C=CCc1cc(/C=N\c2cc(C)ccc2C)cc(OC)c1OCC(=O)[O-]	ZINC000408851330	570692420	/nfs/dbraw/zinc/69/24/20/570692420.db2.gz	XVPBHAAXAGLDFB-UUYOSTAYSA-N	-1	0	353.418	4.255	40	30		FIEBRM
CN(C)c1oc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc1Br	ZINC000059104593	571086963	/nfs/dbraw/zinc/08/69/63/571086963.db2.gz	LCWDGMSLUHYPBE-REZTVBANSA-N	-1	0	371.618	4.210	40	30		FIEBRM
C=CCc1cc(/C=N/c2ccccc2SC)cc(OC)c1OCC(=O)[O-]	ZINC000059302536	571089992	/nfs/dbraw/zinc/08/99/92/571089992.db2.gz	SCCJUNAKZRYKDA-CIAFOILYSA-N	-1	0	371.458	4.360	40	30		FIEBRM
CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OCC	ZINC000034702328	571310734	/nfs/dbraw/zinc/31/07/34/571310734.db2.gz	FMLCLXJSFMEQEQ-OGFIELIUSA-N	-1	0	374.487	4.358	40	30		FIEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCC2)c1[O-]	ZINC000006570159	207146315	/nfs/dbraw/zinc/14/63/15/207146315.db2.gz	WJTQFWVHIJYDED-DEDYPNTBSA-N	-1	0	355.394	4.050	40	30		FIEBRM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2O)cc1	ZINC000037492628	208179364	/nfs/dbraw/zinc/17/93/64/208179364.db2.gz	FDHREDWHQNDUKI-JAIQZWGSSA-N	-1	0	368.462	4.199	40	30		FIEBRM
Cc1cccc(NC(=O)C([O-])=C(C#N)c2c(Cl)cccc2Cl)c1C	ZINC000001613716	570503037	/nfs/dbraw/zinc/50/30/37/570503037.db2.gz	OYNBCJDPQWTTKR-GFCCVEGCSA-N	-1	0	361.228	4.425	40	30		FIEBRM
Cc1ccc(S(=O)([O-])=NC(=O)Nc2cc(Cl)c(Cl)cc2C)cc1	ZINC000001738943	570506354	/nfs/dbraw/zinc/50/63/54/570506354.db2.gz	RYIGVYDKPGGPQM-UHFFFAOYSA-N	-1	0	373.261	4.325	40	30		FIEBRM
Cc1ccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c(Br)c1	ZINC000408851576	570692417	/nfs/dbraw/zinc/69/24/17/570692417.db2.gz	LHZYTURELUQABI-FGHSJCFPSA-N	-1	0	362.223	4.360	40	30		FIEBRM
CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N1C	ZINC000408907223	570697035	/nfs/dbraw/zinc/69/70/35/570697035.db2.gz	AEKBCCZJNSCRJK-MSYUKONTSA-N	-1	0	366.442	4.181	40	30		FIEBRM
COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000409095750	570723085	/nfs/dbraw/zinc/72/30/85/570723085.db2.gz	IPUCLSQEELOKKD-LPYMAVHISA-N	-1	0	362.385	4.021	40	30		FIEBRM
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\[O-])cc1Cl	ZINC000409256944	570746785	/nfs/dbraw/zinc/74/67/85/570746785.db2.gz	OINANEKHWVASAE-UWVJOHFNSA-N	-1	0	353.205	4.127	40	30		FIEBRM
COc1cc(/C=N\c2cccc(O)c2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409384399	570755044	/nfs/dbraw/zinc/75/50/44/570755044.db2.gz	AVJONXBPOMEGSQ-NHDPSOOVSA-N	-1	0	367.357	4.022	40	30		FIEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccccc2O)cc1	ZINC000018212409	570876588	/nfs/dbraw/zinc/87/65/88/570876588.db2.gz	KZKLXKQVYFMVMX-KGENOOAVSA-N	-1	0	366.442	4.252	40	30		FIEBRM
C=CCc1cc(/C=N/c2ccccc2CC)cc(OC)c1OCC(=O)[O-]	ZINC000059250451	571088964	/nfs/dbraw/zinc/08/89/64/571088964.db2.gz	XFNGNNPHCMXISC-LPYMAVHISA-N	-1	0	353.418	4.200	40	30		FIEBRM
C=CCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000085221257	571278411	/nfs/dbraw/zinc/27/84/11/571278411.db2.gz	ZZWOKVRONYEEBJ-QFIPXVFZSA-N	-1	0	365.429	4.335	40	30		FIEBRM
COc1cc([N+](=O)[O-])cc(C=Nc2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000254700236	571292018	/nfs/dbraw/zinc/29/20/18/571292018.db2.gz	KQZHNSMFCCTOOF-UHFFFAOYSA-N	-1	0	355.394	4.050	40	30		FIEBRM
C=CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OC	ZINC000036289690	571306086	/nfs/dbraw/zinc/30/60/86/571306086.db2.gz	ORGHCBYAQUEINY-DEDYPNTBSA-N	-1	0	366.446	4.063	40	30		FIEBRM
CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000100936929	209486243	/nfs/dbraw/zinc/48/62/43/209486243.db2.gz	SZBGLIIBJOOZPV-DOOOOMTHSA-N	-1	0	372.833	4.272	40	30		FIEBRM
O=C([O-])c1cccc2c1-c1ccc(/N=C\c3ccc4c(c3)OCO4)cc1C2=O	ZINC000104106942	209258106	/nfs/dbraw/zinc/25/81/06/209258106.db2.gz	VKSURLDBHGEESY-RMORIDSASA-N	-1	0	371.348	4.076	40	30		FIEBRM
CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-]	ZINC000059696283	206785528	/nfs/dbraw/zinc/78/55/28/206785528.db2.gz	LPDJCYFKKSLKRO-UHFFFAOYSA-N	-1	0	363.564	4.472	40	30	in-vitro	FIEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1[O-]	ZINC000005871986	207120354	/nfs/dbraw/zinc/12/03/54/207120354.db2.gz	VWDBLPROEPOCKC-RGVLZGJSSA-N	-1	0	371.393	4.044	40	30		FIEBRM
CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1[O-]	ZINC000408719105	263490195	/nfs/dbraw/zinc/49/01/95/263490195.db2.gz	JCKGCDIWCABOBR-UFWORHAWSA-N	-1	0	363.211	4.386	40	30		FIEBRM
CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1	ZINC000002321042	570518809	/nfs/dbraw/zinc/51/88/09/570518809.db2.gz	YZPDNWMCHOUBFR-ZHZULCJRSA-N	-1	0	351.479	4.336	40	30		FIEBRM
N=c1[n-]nc(-c2cccc(/N=C/c3ccc(Br)cc3)c2)s1	ZINC000408718312	570672686	/nfs/dbraw/zinc/67/26/86/570672686.db2.gz	RIBLCZUJRJFFOW-GIJQJNRQSA-N	-1	0	359.252	4.131	40	30		FIEBRM
C=CCc1cc(/C=N\c2cccc(OCC)c2)cc(OC)c1OCC(=O)[O-]	ZINC000408854010	570692915	/nfs/dbraw/zinc/69/29/15/570692915.db2.gz	VLZJRAVLECEDEG-XKZIYDEJSA-N	-1	0	369.417	4.036	40	30		FIEBRM
COC(=O)c1cccc(/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000408960026	570702963	/nfs/dbraw/zinc/70/29/63/570702963.db2.gz	ICUPAMBEXNHIRT-UUYOSTAYSA-N	-1	0	363.369	4.490	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccc(Cl)cc2O)c1	ZINC000409104002	570722500	/nfs/dbraw/zinc/72/25/00/570722500.db2.gz	YAAJVMCPONRTJN-SOFYXZRVSA-N	-1	0	371.574	4.173	40	30		FIEBRM
Cc1cc(C(=O)[O-])ccc1NC=CC(=O)c1ccc(Br)cc1	ZINC000409182107	570737255	/nfs/dbraw/zinc/73/72/55/570737255.db2.gz	IEWVIEOHDRSDKM-CMDGGOBGSA-N	-1	0	360.207	4.264	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccccc2Cl)c1[O-]	ZINC000098064178	571104649	/nfs/dbraw/zinc/10/46/49/571104649.db2.gz	RFYAUHOEVSRYGP-APSNUPSMSA-N	-1	0	355.575	4.467	40	30		FIEBRM
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(=O)[n-]2)cc1Br	ZINC000026687761	571192828	/nfs/dbraw/zinc/19/28/28/571192828.db2.gz	WQHVJHUPWUFAOT-UHFFFAOYSA-N	-1	0	373.128	4.116	40	30		FIEBRM
[O-]c1c(Br)cc(/N=C/c2ccccc2O)cc1Br	ZINC000008380020	571310468	/nfs/dbraw/zinc/31/04/68/571310468.db2.gz	IMLIXTYNPUHUFE-FRKPEAEDSA-N	-1	0	371.028	4.373	40	30		FIEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OCC	ZINC000065997332	571310699	/nfs/dbraw/zinc/31/06/99/571310699.db2.gz	OZXONGYZELGNQY-DEDYPNTBSA-N	-1	0	368.462	4.287	40	30		FIEBRM
CCn1c(=O)c(/C=N/c2cccc(Br)c2)c([O-])c2ccccc21	ZINC000103461943	209253680	/nfs/dbraw/zinc/25/36/80/209253680.db2.gz	MWNRJRUOBZAIFG-RGVLZGJSSA-N	-1	0	371.234	4.240	40	30		FIEBRM
CCCCCCCCCCCCS(=O)(=O)NCCCCCC(=O)[O-]	ZINC000100922039	209218595	/nfs/dbraw/zinc/21/85/95/209218595.db2.gz	PEAKTPHKRMMXTC-UHFFFAOYSA-N	-1	0	363.564	4.472	40	30		FIEBRM
C/C(=N\Cc1cccnc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370434	209213697	/nfs/dbraw/zinc/21/36/97/209213697.db2.gz	KXGROHRTAMWJFX-PCLIKHOPSA-N	-1	0	369.424	4.101	40	30		FIEBRM
C/C(=N\Cc1ccccn1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370438	209213069	/nfs/dbraw/zinc/21/30/69/209213069.db2.gz	GWZQQQWANBTMMJ-PCLIKHOPSA-N	-1	0	369.424	4.101	40	30		FIEBRM
C=CCc1cc(/C=N\c2ccc(Cl)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000408850738	263501783	/nfs/dbraw/zinc/50/17/83/263501783.db2.gz	DKQPFCVDJVNKGK-NHDPSOOVSA-N	-1	0	359.809	4.291	40	30		FIEBRM
C=C1C[C@@H](O)[C@H](/C=C/[C@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027640071	518664652	/nfs/dbraw/zinc/66/46/52/518664652.db2.gz	VKEJXDXJUFQESA-MWFFEYCDSA-N	-1	0	350.499	4.238	40	30	in-vitro	FIEBRM
CCCCCOc1ccccc1CN1C(=O)/C(=N\[O-])c2cccc(C)c21	ZINC000101101711	520259663	/nfs/dbraw/zinc/25/96/63/520259663.db2.gz	PQCXGMBFXSLPPO-QOCHGBHMSA-N	-1	0	352.434	4.289	40	30		FIEBRM
CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OCC	ZINC000137041408	570630654	/nfs/dbraw/zinc/63/06/54/570630654.db2.gz	FMLCLXJSFMEQEQ-PAOGCMMFSA-N	-1	0	374.487	4.358	40	30		FIEBRM
C=CCc1cc(/C=N\c2ccccc2Cl)cc(OC)c1OCC(=O)[O-]	ZINC000408842607	570691169	/nfs/dbraw/zinc/69/11/69/570691169.db2.gz	BFGCYDXGCUDCNF-NHDPSOOVSA-N	-1	0	359.809	4.291	40	30		FIEBRM
O=C([O-])c1cccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c1	ZINC000408850874	570692524	/nfs/dbraw/zinc/69/25/24/570692524.db2.gz	FDWZHIBTENZVRU-VCHYOVAHSA-N	-1	0	363.211	4.091	40	30		FIEBRM
COC(=O)c1ccc(-c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)o2)c(C)c1	ZINC000408915519	570699171	/nfs/dbraw/zinc/69/91/71/570699171.db2.gz	WVFFNOKKDSNTKO-WSDLNYQXSA-N	-1	0	363.369	4.490	40	30		FIEBRM
CCOc1ccc2sc(/N=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])nc2c1	ZINC000016693065	570860484	/nfs/dbraw/zinc/86/04/84/570860484.db2.gz	GRDIIPSRMPXGMP-GIJQJNRQSA-N	-1	0	373.390	4.068	40	30		FIEBRM
CCC[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2C1	ZINC000005952210	571169229	/nfs/dbraw/zinc/16/92/29/571169229.db2.gz	BRINQOKNWFCARM-QEJZJMRPSA-N	-1	0	374.506	4.354	40	30		FIEBRM
CCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1	ZINC000033474956	571310606	/nfs/dbraw/zinc/31/06/06/571310606.db2.gz	ZQQSIQDECSYIGY-SMTGANQKSA-N	-1	0	373.503	4.307	40	30		FIEBRM
COc1ccc(Cl)cc1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000137757015	571311047	/nfs/dbraw/zinc/31/10/47/571311047.db2.gz	SOFXXEIBNKUFMQ-LVUZNEBMSA-N	-1	0	350.852	4.223	40	30		FIEBRM
CCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1	ZINC000137661658	571311058	/nfs/dbraw/zinc/31/10/58/571311058.db2.gz	ZQQSIQDECSYIGY-CZGNVTRDSA-N	-1	0	373.503	4.307	40	30		FIEBRM
COc1ccc(-c2nc(SCCc3ccccc3)[n-]c(=O)c2C#N)cc1	ZINC000002751032	571340771	/nfs/dbraw/zinc/34/07/71/571340771.db2.gz	WNRAZCMIADPNKU-UHFFFAOYSA-N	-1	0	363.442	4.064	40	30		FIEBRM
CC(N=Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc(O)cc1	ZINC000006686400	210152027	/nfs/dbraw/zinc/15/20/27/210152027.db2.gz	GHOFCLHZVHUIDP-KPSZGOFPSA-N	-1	0	374.611	4.282	40	30		FIEBRM
CCOc1cc(/C=N\O)cc(Br)c1OCc1ccccc1	ZINC000011961698	210102533	/nfs/dbraw/zinc/10/25/33/210102533.db2.gz	PENIMCWBIPZEOL-ZDLGFXPLSA-N	-1	0	350.212	4.235	40	30		FIEBRM
C/C(=N\Cc1ccncc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370431	222242358	/nfs/dbraw/zinc/24/23/58/222242358.db2.gz	LMNZJZSDUYEYSG-PCLIKHOPSA-N	-1	0	369.424	4.101	40	30		FIEBRM
CCn1c2ccccc2c([O-])c(/C=N/c2cccc3cccc(N)c32)c1=O	ZINC000103461968	222337212	/nfs/dbraw/zinc/33/72/12/222337212.db2.gz	DZGICJYTTNNELL-ZMOGYAJESA-N	-1	0	357.413	4.213	40	30		FIEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccccc2O)cc1	ZINC000104094076	222350271	/nfs/dbraw/zinc/35/02/71/222350271.db2.gz	KZKLXKQVYFMVMX-STZFKDTASA-N	-1	0	366.442	4.252	40	30		FIEBRM
C=CCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1Br	ZINC000408606188	263480518	/nfs/dbraw/zinc/48/05/18/263480518.db2.gz	HOIDMUDPRHZYTE-UHFFFAOYSA-N	-1	0	362.223	4.324	40	30		FIEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccccc1I	ZINC000408551589	570543135	/nfs/dbraw/zinc/54/31/35/570543135.db2.gz	OEVKZJKQDQHPLG-RQZCQDPDSA-N	-1	0	365.170	4.048	40	30		FIEBRM
C#CCOc1c(Cl)cc(CNc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000408613983	570583905	/nfs/dbraw/zinc/58/39/05/570583905.db2.gz	XCLVBPSUSUMRDE-UHFFFAOYSA-N	-1	0	350.201	4.316	40	30		FIEBRM
C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1	ZINC000007360663	570588678	/nfs/dbraw/zinc/58/86/78/570588678.db2.gz	FJGQPAZZLBPYTP-UHFFFAOYSA-N	-1	0	361.463	4.184	40	30		FIEBRM
C/C(C[C@H](CC(=O)[O-])c1cn(Cc2ccccc2)c2ccccc12)=N\O	ZINC000005260664	570622979	/nfs/dbraw/zinc/62/29/79/570622979.db2.gz	WFCCJWKTCQENHL-HRKXOBMBSA-N	-1	0	350.418	4.488	40	30		FIEBRM
CCc1nnc(C2=C([O-])C(=Cc3c(C)[nH]c4ccccc34)SC2=N)s1	ZINC000136191703	570629463	/nfs/dbraw/zinc/62/94/63/570629463.db2.gz	ZKUKPXKYRSEAAN-NOWVYUAUSA-N	-1	0	368.487	4.308	40	30		FIEBRM
C=CCc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(OC)c1O	ZINC000136744009	570629894	/nfs/dbraw/zinc/62/98/94/570629894.db2.gz	FURRKIOIDLSMNH-FQIZWOSPSA-N	-1	0	372.471	4.004	40	30		FIEBRM
CCOc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000005953587	570639312	/nfs/dbraw/zinc/63/93/12/570639312.db2.gz	GYJQKEOVXRMOIE-RQZCQDPDSA-N	-1	0	365.183	4.212	40	30		FIEBRM
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000007890720	570683647	/nfs/dbraw/zinc/68/36/47/570683647.db2.gz	QJBMYETYWUVSEW-UFFVCSGVSA-N	-1	0	372.787	4.117	40	30		FIEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(Br)c(Cl)c2)ccc1[O-]	ZINC000408905369	570696985	/nfs/dbraw/zinc/69/69/85/570696985.db2.gz	XYOIEAAEIAHPRN-FRKPEAEDSA-N	-1	0	355.575	4.467	40	30		FIEBRM
COC(=O)c1cccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)c1C	ZINC000409102234	570724347	/nfs/dbraw/zinc/72/43/47/570724347.db2.gz	VMXFTZTTYWUKSW-LPYMAVHISA-N	-1	0	362.385	4.021	40	30		FIEBRM
O=[N+]([O-])c1cc(Cl)cc(C=NNc2cccc(C(F)(F)F)c2)c1[O-]	ZINC000038179114	570977398	/nfs/dbraw/zinc/97/73/98/570977398.db2.gz	AXPWPPVNRKXSDS-FBCYGCLPSA-N	-1	0	359.691	4.419	40	30		FIEBRM
CCC[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2C1	ZINC000005952207	571169349	/nfs/dbraw/zinc/16/93/49/571169349.db2.gz	BRINQOKNWFCARM-CFVMTHIKSA-N	-1	0	374.506	4.354	40	30		FIEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OC(C)C)cc3)SC2=N)s1	ZINC000108052419	571311051	/nfs/dbraw/zinc/31/10/51/571311051.db2.gz	SDBQEXZLGRPNQL-XDNJSQOTSA-N	-1	0	373.503	4.306	40	30		FIEBRM
CC(=O)c1ccc(N=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000003150725	571345165	/nfs/dbraw/zinc/34/51/65/571345165.db2.gz	NWLZZZCQDKPSCC-CAOOACKPSA-N	-1	0	363.167	4.016	40	30		FIEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\c1ccccc1N1CCOCC1	ZINC000100933816	132233391	/nfs/dbraw/zinc/23/33/91/132233391.db2.gz	GQBCOFXZSHDYLG-JAIQZWGSSA-N	-1	0	351.233	4.286	40	30		FIEBRM
C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1ccc(Cl)cc1	ZINC000101153864	222263164	/nfs/dbraw/zinc/26/31/64/222263164.db2.gz	BTSXOPQMLUKASF-VAWYXSNFSA-N	-1	0	368.820	4.096	40	30		FIEBRM
Cc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)cc1	ZINC000408931630	263508043	/nfs/dbraw/zinc/50/80/43/263508043.db2.gz	ODZVAUNRHCQLEW-ICSPAVNMSA-N	-1	0	366.442	4.235	40	30		FIEBRM
CCCCCCCCCCCC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000017433615	519981942	/nfs/dbraw/zinc/98/19/42/519981942.db2.gz	ITWIIXBTXPJQJZ-WOJBJXKFSA-N	-1	0	363.498	4.210	40	30		FIEBRM
CCCCCOc1ccc(CN2C(=O)/C(=N\[O-])c3cccc(C)c32)cc1	ZINC000101101727	520252906	/nfs/dbraw/zinc/25/29/06/520252906.db2.gz	VDJHTHVSZOBYHL-QOCHGBHMSA-N	-1	0	352.434	4.289	40	30		FIEBRM
N#CC(=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	ZINC000006512613	570648466	/nfs/dbraw/zinc/64/84/66/570648466.db2.gz	COENYRMXXJLMLM-GFCCVEGCSA-N	-1	0	367.619	4.462	40	30		FIEBRM
Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccc(F)cc1	ZINC000408738355	570684822	/nfs/dbraw/zinc/68/48/22/570684822.db2.gz	VUCINHHTUDWYCX-SSDVNMTOSA-N	-1	0	352.365	4.388	40	30		FIEBRM
COC(=O)c1ccccc1/N=C\c1ccc(-c2ccc(C)c(C(=O)[O-])c2)o1	ZINC000408860179	570693319	/nfs/dbraw/zinc/69/33/19/570693319.db2.gz	YPOWCEFRLHQILF-UUYOSTAYSA-N	-1	0	363.369	4.490	40	30		FIEBRM
CN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000409071666	570719412	/nfs/dbraw/zinc/71/94/12/570719412.db2.gz	OVSLVHRRQXWDDP-GOIJELEESA-N	-1	0	372.833	4.272	40	30		FIEBRM
[O-]c1c(Br)cc(C=NNc2ccccc2)cc1Br	ZINC000004280570	570894325	/nfs/dbraw/zinc/89/43/25/570894325.db2.gz	KTYPVLPVTXIKSO-LZYBPNLTSA-N	-1	0	370.044	4.363	40	30		FIEBRM
C=CCc1cc(/C=N/c2ccc(F)c(C)c2)cc(OC)c1OCC(=O)[O-]	ZINC000059247938	571088456	/nfs/dbraw/zinc/08/84/56/571088456.db2.gz	BUCIWLILGYBSCH-SSDVNMTOSA-N	-1	0	357.381	4.085	40	30		FIEBRM
Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1	ZINC000006860280	571319642	/nfs/dbraw/zinc/31/96/42/571319642.db2.gz	BILRBWSRBJSABJ-GFCCVEGCSA-N	-1	0	369.515	4.180	40	30		FIEBRM
N#CC(=C([O-])C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl	ZINC000001613798	210361444	/nfs/dbraw/zinc/36/14/44/210361444.db2.gz	VWTGJKGXJRKZBQ-CYBMUJFWSA-N	-1	0	366.726	4.174	40	30		FIEBRM
Cc1cccc2c1N(CCCOc1ccc3ccccc3c1)C(=O)/C2=N\[O-]	ZINC000101101806	222261722	/nfs/dbraw/zinc/26/17/22/222261722.db2.gz	SZVDVKJXDQQDNJ-ATJXCDBQSA-N	-1	0	360.413	4.142	40	30		FIEBRM
CC/C=C\CC1=C(CCCC[C@H](CCC(=O)[O-])OC(C)=O)CCC1=O	ZINC000031163946	263390966	/nfs/dbraw/zinc/39/09/66/263390966.db2.gz	QWDCJWDUPSTHHK-VGOKWCNXSA-N	-1	0	350.455	4.359	40	30	biogenic,in-vitro	FIEBRM
[O-]c1c(Cl)cc(C=NN2C(=S)N=NC2c2ccccc2)cc1Cl	ZINC000409055502	263521378	/nfs/dbraw/zinc/52/13/78/263521378.db2.gz	CGJMKMAFQWDKSF-QGMBQPNBSA-N	-1	0	365.245	4.128	40	30		FIEBRM
Cc1cc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])ccc1F	ZINC000409106338	263526851	/nfs/dbraw/zinc/52/68/51/263526851.db2.gz	LJOGOMWYEIESCE-REZTVBANSA-N	-1	0	353.147	4.261	40	30		FIEBRM
Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCCOc1ccc(C(C)(C)C)cc1	ZINC000101101686	526136201	/nfs/dbraw/zinc/13/62/01/526136201.db2.gz	ONLOYWQLKAKWJH-ATJXCDBQSA-N	-1	0	366.461	4.287	40	30		FIEBRM
CCOc1ccc2sc(/N=C\c3cc([N+](=O)[O-])cc(OC)c3[O-])nc2c1	ZINC000006554588	570649222	/nfs/dbraw/zinc/64/92/22/570649222.db2.gz	GRDIIPSRMPXGMP-NVMNQCDNSA-N	-1	0	373.390	4.068	40	30		FIEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Br)cc2)c1[O-]	ZINC000006758635	570653611	/nfs/dbraw/zinc/65/36/11/570653611.db2.gz	YUWDBTNGTLEYLS-RQZCQDPDSA-N	-1	0	365.183	4.212	40	30		FIEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000408937316	570701484	/nfs/dbraw/zinc/70/14/84/570701484.db2.gz	QIDNOAQYEOBFDS-RGVLZGJSSA-N	-1	0	369.764	4.488	40	30		FIEBRM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC(=O)[O-])C[C@@H](O)C[C@@H]1O	ZINC000038791535	570987397	/nfs/dbraw/zinc/98/73/97/570987397.db2.gz	MBLYZRMZFUWLOZ-ZTIKAOTBSA-N	-1	0	374.521	4.238	40	30	in-vitro	FIEBRM
Cc1cc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1Br	ZINC000059249376	571088961	/nfs/dbraw/zinc/08/89/61/571088961.db2.gz	HYPTZHJUVJSJAG-AINDZBIGSA-N	-1	0	362.223	4.360	40	30		FIEBRM
[O-]c1cc(Br)c(/N=C/c2ccccc2O)c(Br)c1	ZINC000006528538	571310416	/nfs/dbraw/zinc/31/04/16/571310416.db2.gz	VDALCWIVMUDLPB-FRKPEAEDSA-N	-1	0	371.028	4.373	40	30		FIEBRM
N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1	ZINC000000990865	219350304	/nfs/dbraw/zinc/35/03/04/219350304.db2.gz	NZDSLAZGOHKGCW-RTBURBONSA-N	-1	0	364.401	4.180	40	30		FIEBRM
O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2cccc(Cl)c2)cc1	ZINC000100403298	222242887	/nfs/dbraw/zinc/24/28/87/222242887.db2.gz	YUJKMSRVXFZRCD-CIAFOILYSA-N	-1	0	371.849	4.286	40	30		FIEBRM
C=CCc1ccccc1OCCSc1nc2ccccc2n1CC(=O)[O-]	ZINC000076556382	519144371	/nfs/dbraw/zinc/14/43/71/519144371.db2.gz	NLNZZFKBJAHZCG-UHFFFAOYSA-N	-1	0	368.458	4.021	40	30		FIEBRM
N#CC(=C([O-])C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl	ZINC000006513962	570648288	/nfs/dbraw/zinc/64/82/88/570648288.db2.gz	VWTGJKGXJRKZBQ-ZDUSSCGKSA-N	-1	0	366.726	4.174	40	30		FIEBRM
Cc1cc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)cc([N+](=O)[O-])c1C	ZINC000408845471	570691629	/nfs/dbraw/zinc/69/16/29/570691629.db2.gz	FRNYMXAUJVCIRZ-UWVJOHFNSA-N	-1	0	362.769	4.079	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(F)cc2F)c1	ZINC000409068825	570718688	/nfs/dbraw/zinc/71/86/88/570718688.db2.gz	IWOFRAWLXYMCNE-UBKPWBPPSA-N	-1	0	357.110	4.092	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(F)cc2F)c1[O-]	ZINC000409094266	570721244	/nfs/dbraw/zinc/72/12/44/570721244.db2.gz	DBLMSVJVTADTHX-UBKPWBPPSA-N	-1	0	357.110	4.092	40	30		FIEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000409105985	570726552	/nfs/dbraw/zinc/72/65/52/570726552.db2.gz	LXUQBOKOMLPFOT-RGVLZGJSSA-N	-1	0	369.764	4.488	40	30		FIEBRM
CCCCOC(=O)c1ccc(/N=C/c2ccc(OC)c(C(=O)[O-])c2)cc1	ZINC000100177584	570759631	/nfs/dbraw/zinc/75/96/31/570759631.db2.gz	YGKXLBNNVANULN-FYJGNVAPSA-N	-1	0	355.390	4.101	40	30		FIEBRM
COc1cc(/C=N/c2ccco2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059249829	571088969	/nfs/dbraw/zinc/08/89/69/571088969.db2.gz	CTLQNSZGSOZQMA-CIAFOILYSA-N	-1	0	351.358	4.316	40	30		FIEBRM
CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1O	ZINC000045333961	571306303	/nfs/dbraw/zinc/30/63/03/571306303.db2.gz	ZKNGRTSWOQOMKV-VXLYETTFSA-N	-1	0	374.853	4.248	40	30		FIEBRM
C=CCc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(OC)c1O	ZINC000033739520	571310679	/nfs/dbraw/zinc/31/06/79/571310679.db2.gz	FURRKIOIDLSMNH-AVBUHKIUSA-N	-1	0	372.471	4.004	40	30		FIEBRM
COc1cc(C=NNc2ccccc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000107703859	571310869	/nfs/dbraw/zinc/31/08/69/571310869.db2.gz	HJBMCVXYOJMYIQ-CIAFOILYSA-N	-1	0	366.373	4.011	40	30		FIEBRM
CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C([O-])=C(C(C)C)C(=O)C2=O	ZINC000005500997	210179663	/nfs/dbraw/zinc/17/96/63/210179663.db2.gz	XDBVTCDGDQLEKG-QLEMLULZSA-N	-1	0	374.477	4.071	40	30		FIEBRM
O=[N+]([O-])c1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)ccc1Cl	ZINC000001475377	210355715	/nfs/dbraw/zinc/35/57/15/210355715.db2.gz	WQIZGUINPGGJCO-MFOYZWKCSA-N	-1	0	365.846	4.432	40	30		FIEBRM
CC(C)=CCC1=C([O-])C(C(=O)CC(C)C)=C(O)[C@](O)(CC=C(C)C)C1=O	ZINC000101569876	222278442	/nfs/dbraw/zinc/27/84/42/222278442.db2.gz	VZMXLSLKOHIKTQ-NRFANRHFSA-N	-1	0	362.466	4.252	40	30		FIEBRM
CC(=CC(=O)c1ccc(Br)cc1)Nc1ccccc1C(=O)[O-]	ZINC000409181157	570736797	/nfs/dbraw/zinc/73/67/97/570736797.db2.gz	XZNRXCZHAUMEGY-ZHACJKMWSA-N	-1	0	360.207	4.346	40	30		FIEBRM
CCCCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC	ZINC000032115526	571057086	/nfs/dbraw/zinc/05/70/86/571057086.db2.gz	NGIWMVHOKRMQFO-UDWIEESQSA-N	-1	0	371.393	4.188	40	30		FIEBRM
COc1cc(C=NNc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1[O-]	ZINC000035188470	571075715	/nfs/dbraw/zinc/07/57/15/571075715.db2.gz	BPZZJYDZCPZCQH-REZTVBANSA-N	-1	0	356.165	4.062	40	30		FIEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(OCc2cccc(C)c2)cc1	ZINC000082375144	571306624	/nfs/dbraw/zinc/30/66/24/571306624.db2.gz	KHEOPMAGWZUKCQ-UDWIEESQSA-N	-1	0	352.463	4.273	40	30		FIEBRM
N#CC1(c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1	ZINC000222991854	222761533	/nfs/dbraw/zinc/76/15/33/222761533.db2.gz	CNWXUWSCTAOXKI-UHFFFAOYSA-N	-1	0	367.257	4.349	40	30		FIEBRM
N#Cc1ccc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4[nH]3)cc2)cc1	ZINC000256028143	223001193	/nfs/dbraw/zinc/00/11/93/223001193.db2.gz	VTLCFBDDBHUFTE-UHFFFAOYSA-N	-1	0	369.380	4.379	40	30		FIEBRM
O=C([O-])CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1CC[C@H](O)CCc1ccccc1	ZINC000100013114	222231295	/nfs/dbraw/zinc/23/12/95/222231295.db2.gz	ZHCXQFHXZFWVRT-BMTLBVSWSA-N	-1	0	370.489	4.333	40	30	in-vitro	FIEBRM
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C2(C#N)CC2)cc1	ZINC000223013656	568591657	/nfs/dbraw/zinc/59/16/57/568591657.db2.gz	HLPOJILHMUGNIM-UHFFFAOYSA-N	-1	0	370.474	4.175	40	30		FIEBRM
COc1c(F)c(F)c(C(=O)Nc2sc(C)c(C)c2C#N)c(F)c1F	ZINC000014258582	570522966	/nfs/dbraw/zinc/52/29/66/570522966.db2.gz	HPYPPRMCEYEZES-UHFFFAOYSA-N	-1	0	358.316	4.054	40	30		FIEBRM
COc1ccc2ccccc2c1C=NNc1nnc2c3ccccc3nc-2[n-]1	ZINC000004596707	570597317	/nfs/dbraw/zinc/59/73/17/570597317.db2.gz	ARGVXTAPTZZNRJ-WSDLNYQXSA-N	-1	0	368.400	4.114	40	30		FIEBRM
N=C1SC(=Cc2ccc(Br)cc2)C([O-])=C1c1nccs1	ZINC000136259407	570629356	/nfs/dbraw/zinc/62/93/56/570629356.db2.gz	XCFOFMCPHITVKS-AAZDMDIYSA-N	-1	0	365.277	4.323	40	30		FIEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OC(C)C	ZINC000136012251	570629372	/nfs/dbraw/zinc/62/93/72/570629372.db2.gz	FGWQTABDFFVFKB-SMHQWKPTSA-N	-1	0	374.487	4.357	40	30		FIEBRM
COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1	ZINC000408855039	570693465	/nfs/dbraw/zinc/69/34/65/570693465.db2.gz	CRWFXBRIAMMPKU-WSDLNYQXSA-N	-1	0	363.369	4.490	40	30		FIEBRM
C=CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000409097544	570723698	/nfs/dbraw/zinc/72/36/98/570723698.db2.gz	GXXCHFWDKBFSAQ-MHWRWJLKSA-N	-1	0	369.398	4.176	40	30		FIEBRM
COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C(=O)[O-])cc1C	ZINC000409101056	570724357	/nfs/dbraw/zinc/72/43/57/570724357.db2.gz	PDGKMPKJHPHVCD-LPYMAVHISA-N	-1	0	368.433	4.061	40	30		FIEBRM
Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)[O-])cc1C	ZINC000409216118	570741526	/nfs/dbraw/zinc/74/15/26/570741526.db2.gz	FHHKVHOYFQZJPB-DJKKODMXSA-N	-1	0	362.223	4.280	40	30		FIEBRM
COc1cc(N2CCCCC2)ccc1/C=N\c1cc(C(=O)[O-])ccc1C	ZINC000409234250	570744660	/nfs/dbraw/zinc/74/46/60/570744660.db2.gz	JOTOVTHSJNWLLQ-HMAPJEAMSA-N	-1	0	352.434	4.443	40	30		FIEBRM
COc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409242285	570746237	/nfs/dbraw/zinc/74/62/37/570746237.db2.gz	QHTYNXUCKUIPQO-YPZZKDGISA-N	-1	0	351.761	4.090	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccccc2Cl)c1	ZINC000113858341	570825630	/nfs/dbraw/zinc/82/56/30/570825630.db2.gz	QFUXUIYHAPJIGT-APSNUPSMSA-N	-1	0	355.575	4.467	40	30		FIEBRM
CCOC(=O)c1sc(N=NCc2cc(Cl)cc(Cl)c2[O-])nc1C	ZINC000059483005	571090989	/nfs/dbraw/zinc/09/09/89/571090989.db2.gz	HPJCOFSZBFCZGS-UBKPWBPPSA-N	-1	0	374.249	4.087	40	30		FIEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2nc3c(cc(C)cc3C)s2)c1[O-]	ZINC000000802216	219323702	/nfs/dbraw/zinc/32/37/02/219323702.db2.gz	DPZGONHKJLKUSF-QGMBQPNBSA-N	-1	0	357.391	4.286	40	30		FIEBRM
CC(C)=CCc1cc(C(=O)[O-])cc(CC[C@H](C)C(=O)/C=C/C(C)(C)O)c1O	ZINC000049181017	221020386	/nfs/dbraw/zinc/02/03/86/221020386.db2.gz	LQMRAHHWCLZHQD-NKSUMMKUSA-N	-1	0	374.477	4.064	40	30	biogenic,in-vitro	FIEBRM
CCCCCCCCCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000226858632	520019057	/nfs/dbraw/zinc/01/90/57/520019057.db2.gz	XPBDUDWBTFPVFD-UHFFFAOYSA-N	-1	0	355.500	4.112	40	30		FIEBRM
O=C([O-])c1ccnc(S/C(=N/c2ccccc2)NN=C2CCCCC2)c1	ZINC000016807785	526400097	/nfs/dbraw/zinc/40/00/97/526400097.db2.gz	HFULXWSIQKGTJJ-UHFFFAOYSA-N	-1	0	368.462	4.469	40	30		FIEBRM
O=C([O-])CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CC[C@H](O)CCc1ccccc1	ZINC000027639145	527573209	/nfs/dbraw/zinc/57/32/09/527573209.db2.gz	ZHCXQFHXZFWVRT-CGMKUHOHSA-N	-1	0	370.489	4.333	40	30	in-vitro	FIEBRM
O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000007741946	527615863	/nfs/dbraw/zinc/61/58/63/527615863.db2.gz	HYBWERCTQJOGFB-FPYGCLRLSA-N	-1	0	351.185	4.353	40	30		FIEBRM
O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000083328356	527617404	/nfs/dbraw/zinc/61/74/04/527617404.db2.gz	HYBWERCTQJOGFB-BAQGIRSFSA-N	-1	0	351.185	4.353	40	30		FIEBRM
Cc1cc(Br)ccc1/N=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000408848210	570692094	/nfs/dbraw/zinc/69/20/94/570692094.db2.gz	QVPRYCBCBWHFJC-ZTPSMGMTSA-N	-1	0	362.223	4.360	40	30		FIEBRM
COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cc(C(=O)[O-])ccc1C	ZINC000409105159	570726108	/nfs/dbraw/zinc/72/61/08/570726108.db2.gz	GXLQDCFCYCRFBU-XKZIYDEJSA-N	-1	0	368.433	4.061	40	30		FIEBRM
N=C1SC(=Cc2ccc(N3CCCCC3)o2)C([O-])=C1c1nccs1	ZINC000137681855	571311036	/nfs/dbraw/zinc/31/10/36/571311036.db2.gz	UJZUJYRXXSSNIV-CELURBQWSA-N	-1	0	359.476	4.144	40	30		FIEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCCC3)cc2)c1[O-]	ZINC000003068718	210448376	/nfs/dbraw/zinc/44/83/76/210448376.db2.gz	HDBAOPBAMLNQEM-DEDYPNTBSA-N	-1	0	355.394	4.050	40	30		FIEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCCCC3)cc2)c1[O-]	ZINC000003191609	132384935	/nfs/dbraw/zinc/38/49/35/132384935.db2.gz	KQZHNSMFCCTOOF-DEDYPNTBSA-N	-1	0	355.394	4.050	40	30		FIEBRM
CC(C)=CCC1=C([O-])C(C(=O)CC(C)C)=C(O)[C@@](O)(CC=C(C)C)C1=O	ZINC000100151010	222237064	/nfs/dbraw/zinc/23/70/64/222237064.db2.gz	RMFGNMMNUZWCRZ-OAQYLSRUSA-N	-1	0	362.466	4.252	40	30	endogenous,in-man	FIEBRM
CCCCn1c(=O)c(/C=N/c2cccc([N+](=O)[O-])c2)c([O-])c2ccccc21	ZINC000103102485	222321171	/nfs/dbraw/zinc/32/11/71/222321171.db2.gz	CYAADIRDBBBLLA-FYJGNVAPSA-N	-1	0	365.389	4.166	40	30		FIEBRM
O=C([O-])c1ccc(Cn2cc(/C=N\c3ccccc3O)c3ccccc32)o1	ZINC000408544154	570526882	/nfs/dbraw/zinc/52/68/82/570526882.db2.gz	VEMKAPRVXAXOGQ-JJFYIABZSA-N	-1	0	360.369	4.437	40	30		FIEBRM
COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)no2)c1	ZINC000004880816	570553777	/nfs/dbraw/zinc/55/37/77/570553777.db2.gz	RMFLQASLEHGJGV-UHFFFAOYSA-N	-1	0	365.414	4.024	40	30		FIEBRM
O=C([O-])c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1	ZINC000007946951	570675321	/nfs/dbraw/zinc/67/53/21/570675321.db2.gz	RVEFDAGYJKOHCQ-OJMJSWISSA-N	-1	0	356.381	4.091	40	30		FIEBRM
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1cccc(C(=O)[O-])c1	ZINC000006588510	570681756	/nfs/dbraw/zinc/68/17/56/570681756.db2.gz	UWLWOVKLPSQZRY-UFFVCSGVSA-N	-1	0	372.787	4.117	40	30		FIEBRM
O=C([O-])c1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)cc1	ZINC000408931746	570700039	/nfs/dbraw/zinc/70/00/39/570700039.db2.gz	PSBBRPLROSJUFB-KSEXSDGBSA-N	-1	0	374.322	4.035	40	30		FIEBRM
O=C([O-])COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000409070306	570719496	/nfs/dbraw/zinc/71/94/96/570719496.db2.gz	ZVBKBVSEGRJTEQ-CNHKJKLMSA-N	-1	0	369.160	4.116	40	30		FIEBRM
COc1cccc(/C=N/c2ccco2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187723	570736541	/nfs/dbraw/zinc/73/65/41/570736541.db2.gz	UEPORMJZOYCYAS-CIAFOILYSA-N	-1	0	351.358	4.316	40	30		FIEBRM
CC(=O)Nc1ccc2c(c1)/C(=N\c1ccc(C(=O)[O-])cc1)c1ccccc1-2	ZINC000012671269	220017289	/nfs/dbraw/zinc/01/72/89/220017289.db2.gz	GWEBVBWBASDHFZ-FLFQWRMESA-N	-1	0	356.381	4.493	40	30	in-vitro	FIEBRM
COc1cc(OC)c(C(=O)/C=C\c2ccccc2)c([O-])c1Br	ZINC000017328411	220214390	/nfs/dbraw/zinc/21/43/90/220214390.db2.gz	SMCXTJBQMQBLHX-HJWRWDBZSA-N	-1	0	363.207	4.068	40	30		FIEBRM
O=c1c(N=Nc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000100408704	222242576	/nfs/dbraw/zinc/24/25/76/222242576.db2.gz	KIWOUWOTXLVOPG-XKZIYDEJSA-N	-1	0	366.730	4.073	40	30		FIEBRM
CC(C)CCOc1ccc(CN2c3ccc(Cl)cc3/C(=N/[O-])C2=O)cc1	ZINC000101101981	222262623	/nfs/dbraw/zinc/26/26/23/222262623.db2.gz	CDAVIJIHHGYESD-QOCHGBHMSA-N	-1	0	372.852	4.490	40	30		FIEBRM
CC(C)=CCC1=C([O-])C(C(=O)CC(C)C)=C(O)[C@@](O)(CC=C(C)C)C1=O	ZINC000104379015	222357231	/nfs/dbraw/zinc/35/72/31/222357231.db2.gz	VZMXLSLKOHIKTQ-OAQYLSRUSA-N	-1	0	362.466	4.252	40	30		FIEBRM
C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000113892001	263451854	/nfs/dbraw/zinc/45/18/54/263451854.db2.gz	USAIUDSCGRSSEA-UHFFFAOYSA-N	-1	0	358.246	4.359	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccc(Cl)cc2)c1	ZINC000113856211	263451910	/nfs/dbraw/zinc/45/19/10/263451910.db2.gz	SVSPSNPBNIGKJV-APSNUPSMSA-N	-1	0	355.575	4.467	40	30		FIEBRM
Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCCOc1ccc2ccccc2c1	ZINC000101101690	526136794	/nfs/dbraw/zinc/13/67/94/526136794.db2.gz	BIFYWCMWCNYPDT-LNVKXUELSA-N	-1	0	360.413	4.142	40	30		FIEBRM
O=C(/C(=N/N=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1)c1ccccc1	ZINC000035610661	527590857	/nfs/dbraw/zinc/59/08/57/527590857.db2.gz	PBZNGJYVUFNWDN-DAEAJKMYSA-N	-1	0	373.368	4.007	40	30		FIEBRM
Cc1sc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c(C#N)c1C	ZINC000014257829	570522986	/nfs/dbraw/zinc/52/29/86/570522986.db2.gz	GNRGESTXWDLOIV-UHFFFAOYSA-N	-1	0	357.504	4.487	40	30		FIEBRM
CCCn1c2ccccc2nc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000006620956	570650659	/nfs/dbraw/zinc/65/06/59/570650659.db2.gz	YDGFXKQFCKXTBX-HYARGMPZSA-N	-1	0	359.433	4.397	40	30		FIEBRM
CCCOC(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])cc1	ZINC000006779004	570653972	/nfs/dbraw/zinc/65/39/72/570653972.db2.gz	OVKOPZHWXHPFFH-UDWIEESQSA-N	-1	0	372.377	4.017	40	30		FIEBRM
CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000035656758	570687618	/nfs/dbraw/zinc/68/76/18/570687618.db2.gz	LKHNPEYNIBVAIP-MSYUKONTSA-N	-1	0	366.442	4.317	40	30		FIEBRM
CN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035657071	570689278	/nfs/dbraw/zinc/68/92/78/570689278.db2.gz	GUNWKUNLKQYPRD-HVCUFTNYSA-N	-1	0	364.426	4.175	40	30		FIEBRM
CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(C)cc1	ZINC000408912224	570697563	/nfs/dbraw/zinc/69/75/63/570697563.db2.gz	PLHPSHQEITXTOS-MSYUKONTSA-N	-1	0	366.442	4.317	40	30		FIEBRM
COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000408932247	570701157	/nfs/dbraw/zinc/70/11/57/570701157.db2.gz	BRDGWXUCUFDXDL-LPYMAVHISA-N	-1	0	362.385	4.021	40	30		FIEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F	ZINC000409038405	570715180	/nfs/dbraw/zinc/71/51/80/570715180.db2.gz	OVFQPKWDQDFIAR-DYUKFFQPSA-N	-1	0	373.055	4.413	40	30		FIEBRM
CC(=NNc1nnc2c3cc(C)ccc3nc-2[n-]1)c1ccc(Cl)cc1	ZINC000005343052	219672967	/nfs/dbraw/zinc/67/29/67/219672967.db2.gz	JAXBWOBFLAHJFJ-SSDVNMTOSA-N	-1	0	350.813	4.304	40	30		FIEBRM
CCCCCCCCCCCCCCN(CCO)C(=O)CCC(=O)[O-]	ZINC000100924213	222257318	/nfs/dbraw/zinc/25/73/18/222257318.db2.gz	QAACVAUWOJVTNG-UHFFFAOYSA-N	-1	0	357.535	4.373	40	30		FIEBRM
COc1cc(/C=N/[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000103894682	222345239	/nfs/dbraw/zinc/34/52/39/222345239.db2.gz	KSFLLRVHKXQDNF-UFWORHAWSA-N	-1	0	356.256	4.223	40	30		FIEBRM
COc1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1Cl	ZINC000059248787	263417594	/nfs/dbraw/zinc/41/75/94/263417594.db2.gz	NTULNXKEJBWQPL-UFWORHAWSA-N	-1	0	354.189	4.216	40	30		FIEBRM
Cc1c(/N=C/c2ccccc2I)cccc1C(=O)[O-]	ZINC000408552805	570550232	/nfs/dbraw/zinc/55/02/32/570550232.db2.gz	VNYRHXRRXXOCPT-RQZCQDPDSA-N	-1	0	365.170	4.048	40	30		FIEBRM
O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2cccc3nsnc32)c1	ZINC000000727549	570624215	/nfs/dbraw/zinc/62/42/15/570624215.db2.gz	NKCMLZZKHNRMDG-GIJQJNRQSA-N	-1	0	350.359	4.209	40	30		FIEBRM
CCn1c2ccccc2nc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000006621453	570650533	/nfs/dbraw/zinc/65/05/33/570650533.db2.gz	LTLCAPUBIYIJOV-LPYMAVHISA-N	-1	0	359.433	4.315	40	30		FIEBRM
CCN(CC)c1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000408858025	570692924	/nfs/dbraw/zinc/69/29/24/570692924.db2.gz	REDIFMTXOAMIDR-CIAFOILYSA-N	-1	0	360.841	4.400	40	30		FIEBRM
Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409216535	570741842	/nfs/dbraw/zinc/74/18/42/570741842.db2.gz	JCIVXSZOORERSB-JJFYIABZSA-N	-1	0	362.385	4.272	40	30		FIEBRM
O=C([O-])CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)CCc1ccccc1	ZINC000027639129	571016640	/nfs/dbraw/zinc/01/66/40/571016640.db2.gz	PBMAXTSZSCARIG-SXWKLETFSA-N	-1	0	368.473	4.109	40	30	in-vitro	FIEBRM
COc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000059679783	571092743	/nfs/dbraw/zinc/09/27/43/571092743.db2.gz	YCHNKNKFVXFJKW-UFWORHAWSA-N	-1	0	354.189	4.216	40	30		FIEBRM
N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1	ZINC000000990866	219350403	/nfs/dbraw/zinc/35/04/03/219350403.db2.gz	NZDSLAZGOHKGCW-OALUTQOASA-N	-1	0	364.401	4.180	40	30		FIEBRM
CCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1	ZINC000008628413	219865397	/nfs/dbraw/zinc/86/53/97/219865397.db2.gz	FHCVEQJULLWZMS-NBEBQTRCSA-N	-1	0	366.442	4.399	40	30		FIEBRM
CC/C=C/CC1=C(CCCC[C@@H](CCC(=O)[O-])OC(C)=O)CCC1=O	ZINC000031163942	263390955	/nfs/dbraw/zinc/39/09/55/263390955.db2.gz	QWDCJWDUPSTHHK-BDUNBXCCSA-N	-1	0	350.455	4.359	40	30	biogenic,in-vitro	FIEBRM
CCCCCCCCCCCC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1	ZINC000017433612	519981322	/nfs/dbraw/zinc/98/13/22/519981322.db2.gz	ITWIIXBTXPJQJZ-VQTJNVASSA-N	-1	0	363.498	4.210	40	30		FIEBRM
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1	ZINC000003981561	527617048	/nfs/dbraw/zinc/61/70/48/527617048.db2.gz	DCUDBWMZJBOZAB-KRXBUXKQSA-N	-1	0	351.185	4.353	40	30		FIEBRM
CC(=O)Nc1ccc2c(c1)/C(=N/c1ccc(C(=O)[O-])cc1)c1ccccc1-2	ZINC000003953903	560191699	/nfs/dbraw/zinc/19/16/99/560191699.db2.gz	GWEBVBWBASDHFZ-DARPEHSRSA-N	-1	0	356.381	4.493	40	30	in-vitro	FIEBRM
C#CCOc1c(Cl)cc(CNc2cccc(C(=O)[O-])c2)cc1OCC	ZINC000408602575	570579915	/nfs/dbraw/zinc/57/99/15/570579915.db2.gz	AACUUTFTSBBCLN-UHFFFAOYSA-N	-1	0	359.809	4.061	40	30		FIEBRM
O=C1C(=O)C(C=CC(C(F)(F)F)C(F)(F)F)=C([O-])c2ccccc21	ZINC000004880041	570612002	/nfs/dbraw/zinc/61/20/02/570612002.db2.gz	QDLKRNRZBLFMMG-WAYWQWQTSA-N	-1	0	350.214	4.175	40	30		FIEBRM
CCCC/N=C1\S/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)N1CCCC	ZINC000005552212	570630413	/nfs/dbraw/zinc/63/04/13/570630413.db2.gz	SUKDRUQOUUEZNG-OROSMMNWSA-N	-1	0	360.479	4.257	40	30		FIEBRM
CCCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)c(OCCC)c1	ZINC000004926709	570674173	/nfs/dbraw/zinc/67/41/73/570674173.db2.gz	XUWZBFCMRKUFHI-KGENOOAVSA-N	-1	0	356.422	4.408	40	30		FIEBRM
CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000008642746	570684251	/nfs/dbraw/zinc/68/42/51/570684251.db2.gz	JMTPMAALMKCZGK-NGDANQHJSA-N	-1	0	372.833	4.272	40	30		FIEBRM
COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OC[C@@H](C)C(=O)[O-]	ZINC000408842309	570691121	/nfs/dbraw/zinc/69/11/21/570691121.db2.gz	KECUCCFXSNCIFT-HIPMGEKLSA-N	-1	0	370.426	4.124	40	30		FIEBRM
O=C([O-])c1cccc(/N=C/c2cc(Br)c(Br)o2)c1	ZINC000408856114	570693386	/nfs/dbraw/zinc/69/33/86/570693386.db2.gz	IJHOTMOPNVQBDT-GIDUJCDVSA-N	-1	0	373.000	4.253	40	30		FIEBRM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2)cc1	ZINC000028352194	571031479	/nfs/dbraw/zinc/03/14/79/571031479.db2.gz	FXRMEWQEXBZFLT-NDENLUEZSA-N	-1	0	352.463	4.493	40	30		FIEBRM
N#Cc1c(N)ncc(-c2ccccc2)c1-c1cc(Br)ccc1[O-]	ZINC000408979060	571319446	/nfs/dbraw/zinc/31/94/46/571319446.db2.gz	LBGQKVPTGVEFNK-UHFFFAOYSA-N	-1	0	366.218	4.168	40	30		FIEBRM
O=C([O-])C(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)=C1SCCS1	ZINC000062716078	571319908	/nfs/dbraw/zinc/31/99/08/571319908.db2.gz	AWZHGJPTERMFAG-ZZXKWVIFSA-N	-1	0	360.378	4.064	40	30		FIEBRM
CC(C)[C@@]12CCC(=O)C=C1CCC[C@H]2OC(=O)c1ccccc1C(=O)[O-]	ZINC000001569979	219411940	/nfs/dbraw/zinc/41/19/40/219411940.db2.gz	PCHQKPBVBNDDJB-NQIIRXRSSA-N	-1	0	356.418	4.026	40	30		FIEBRM
CCn1c(=O)c(C(=O)/C=C/c2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000100192700	222238194	/nfs/dbraw/zinc/23/81/94/222238194.db2.gz	REORRACNSZHZTI-FMIVXFBMSA-N	-1	0	353.805	4.277	40	30		FIEBRM
C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(O)c(C(=O)[O-])c1	ZINC000102941592	222314997	/nfs/dbraw/zinc/31/49/97/222314997.db2.gz	YGHUXWNCOHTVCV-FMQUCBEESA-N	-1	0	352.415	4.039	40	30		FIEBRM
CC/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1ccc(C)cc1	ZINC000104807813	222361454	/nfs/dbraw/zinc/36/14/54/222361454.db2.gz	BDPYVWGWLMGIID-FYWRMAATSA-N	-1	0	362.429	4.141	40	30		FIEBRM
CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000408692351	263484537	/nfs/dbraw/zinc/48/45/37/263484537.db2.gz	KNWUJFMNWOSHDK-LPYMAVHISA-N	-1	0	374.400	4.460	40	30		FIEBRM
Cc1cccc(/N=C/c2ccc(OCC(=O)[O-])c(Br)c2)c1C	ZINC000409211588	263541711	/nfs/dbraw/zinc/54/17/11/263541711.db2.gz	OOBVJACLBRYLMJ-DJKKODMXSA-N	-1	0	362.223	4.280	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2Cl)c1[O-]	ZINC000003155794	570553073	/nfs/dbraw/zinc/55/30/73/570553073.db2.gz	RFYAUHOEVSRYGP-FRKPEAEDSA-N	-1	0	355.575	4.467	40	30		FIEBRM
COc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)[O-]	ZINC000408691782	570649391	/nfs/dbraw/zinc/64/93/91/570649391.db2.gz	PYUPTFBJFDDPOI-VMPITWQZSA-N	-1	0	360.793	4.017	40	30		FIEBRM
Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408913506	570698745	/nfs/dbraw/zinc/69/87/45/570698745.db2.gz	VGIVQTOPNNFEDR-SSDVNMTOSA-N	-1	0	362.385	4.272	40	30		FIEBRM
Cc1cccc(/N=C/c2cc(Br)ccc2OCC(=O)[O-])c1C	ZINC000409211992	570741053	/nfs/dbraw/zinc/74/10/53/570741053.db2.gz	PBGGKYZULAUULF-DJKKODMXSA-N	-1	0	362.223	4.280	40	30		FIEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(OCc2cccc(F)c2)cc1	ZINC000017649329	570853003	/nfs/dbraw/zinc/85/30/03/570853003.db2.gz	WVKSNLURTMITRM-RGVLZGJSSA-N	-1	0	356.426	4.103	40	30		FIEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1[O-]	ZINC000035188663	571076039	/nfs/dbraw/zinc/07/60/39/571076039.db2.gz	UNMJOBRVJKEXLZ-RGVLZGJSSA-N	-1	0	365.345	4.205	40	30		FIEBRM
CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])c([O-])c2)sc2c1CCCC2	ZINC000035986611	571078993	/nfs/dbraw/zinc/07/89/93/571078993.db2.gz	SCRFWDVOOPGXCX-VXLYETTFSA-N	-1	0	374.418	4.168	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccc3ncccc3c2)c1	ZINC000085878700	571110118	/nfs/dbraw/zinc/11/01/18/571110118.db2.gz	XLKMITSXHKQGJF-OCKHKDLRSA-N	-1	0	372.178	4.362	40	30		FIEBRM
COc1ccc(Cl)cc1C=C1SC(=N)C(c2nccs2)=C1[O-]	ZINC000108155133	571310973	/nfs/dbraw/zinc/31/09/73/571310973.db2.gz	SOFXXEIBNKUFMQ-HGAWGFJMSA-N	-1	0	350.852	4.223	40	30		FIEBRM
Cc1cc(NN=Cc2ccc(OCC(=O)[O-])cc2)nc2ccc(Cl)cc12	ZINC000007065057	219791456	/nfs/dbraw/zinc/79/14/56/219791456.db2.gz	BVZGZOAVQUMTDH-UFFVCSGVSA-N	-1	0	369.808	4.106	40	30		FIEBRM
CC/C=C/CC1=C(CCCC[C@H](CCC(=O)[O-])OC(C)=O)CCC1=O	ZINC000031163950	263391178	/nfs/dbraw/zinc/39/11/78/263391178.db2.gz	QWDCJWDUPSTHHK-LAQIPUCWSA-N	-1	0	350.455	4.359	40	30	biogenic,in-vitro	FIEBRM
Cc1ccsc1/C=C1\S/C(=N\c2cccc(C(=O)[O-])c2C)N(C)C1=O	ZINC000408938072	263509062	/nfs/dbraw/zinc/50/90/62/263509062.db2.gz	ROXSQZGTPBBTOS-FGLCSBSCSA-N	-1	0	372.471	4.297	40	30		FIEBRM
CC(C)[C@]12CCC(=O)C=C1CCC[C@@H]2OC(=O)c1ccccc1C(=O)[O-]	ZINC000001569976	570501820	/nfs/dbraw/zinc/50/18/20/570501820.db2.gz	PCHQKPBVBNDDJB-GHTZIAJQSA-N	-1	0	356.418	4.026	40	30		FIEBRM
CCc1ccccc1NC(=O)C([O-])=C(C#N)c1c(Cl)cccc1Cl	ZINC000001613830	570503106	/nfs/dbraw/zinc/50/31/06/570503106.db2.gz	MWQKCTYWMYREPV-GFCCVEGCSA-N	-1	0	361.228	4.371	40	30		FIEBRM
CCc1ccccc1NC(=O)C([O-])=C(C#N)c1c(Cl)cccc1Cl	ZINC000006371722	570646383	/nfs/dbraw/zinc/64/63/83/570646383.db2.gz	MWQKCTYWMYREPV-LBPRGKRZSA-N	-1	0	361.228	4.371	40	30		FIEBRM
COC(=O)c1ccc(C)c(-c2ccc(/C=N/c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000408912509	570698024	/nfs/dbraw/zinc/69/80/24/570698024.db2.gz	HRSIBYMWVOXNJU-WSDLNYQXSA-N	-1	0	363.369	4.490	40	30		FIEBRM
O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2/C=N/[O-])c([N+](=O)[O-])c1	ZINC000409093361	570720647	/nfs/dbraw/zinc/72/06/47/570720647.db2.gz	ZBIKZPRFWSFXSO-OMCISZLKSA-N	-1	0	372.120	4.410	40	30		FIEBRM
COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc(C(=O)[O-])c1C	ZINC000409101679	570724514	/nfs/dbraw/zinc/72/45/14/570724514.db2.gz	QJKUDUPXHSZGEE-LPYMAVHISA-N	-1	0	368.433	4.061	40	30		FIEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc(Cl)cc2O)c1[O-]	ZINC000409107474	570727109	/nfs/dbraw/zinc/72/71/09/570727109.db2.gz	VXUVJSDCJSNVEN-SOFYXZRVSA-N	-1	0	371.574	4.173	40	30		FIEBRM
COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409384870	570754921	/nfs/dbraw/zinc/75/49/21/570754921.db2.gz	GDPHSNYMHSCSIZ-CIAFOILYSA-N	-1	0	351.358	4.316	40	30		FIEBRM
C=CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC	ZINC000108159765	571311038	/nfs/dbraw/zinc/31/10/38/571311038.db2.gz	RZMDJGRRNVTMRT-OGFIELIUSA-N	-1	0	372.471	4.134	40	30		FIEBRM
N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc([O-])c(Br)c1	ZINC000408977053	571319485	/nfs/dbraw/zinc/31/94/85/571319485.db2.gz	COBZGKQOZUUHEY-UHFFFAOYSA-N	-1	0	366.218	4.168	40	30		FIEBRM
O=c1c2ccccc2nc2c(/C=N\c3cccc(Cl)c3Cl)c[n-]n21	ZINC000016525249	220186224	/nfs/dbraw/zinc/18/62/24/220186224.db2.gz	JXUZIDOZLSPULV-ZBKNUEDVSA-N	-1	0	357.200	4.233	40	30		FIEBRM
O=C([N-]C(=O)c1c(F)cccc1F)O/N=C/C(Cl)=Cc1ccccc1	ZINC000002570445	527457852	/nfs/dbraw/zinc/45/78/52/527457852.db2.gz	CEKDMJXFFHAJQZ-FUZYYYJCSA-N	-1	0	364.735	4.097	40	30		FIEBRM
Cc1ccc2nc3[n-]c(NN=Cc4ccc5ccccc5c4)nnc-3c2c1	ZINC000004577659	570596707	/nfs/dbraw/zinc/59/67/07/570596707.db2.gz	LMNFEUGLXICBNP-WSDLNYQXSA-N	-1	0	352.401	4.414	40	30		FIEBRM
C=CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000408961818	570703736	/nfs/dbraw/zinc/70/37/36/570703736.db2.gz	ODULWHYVKLELEO-YBEGLDIGSA-N	-1	0	369.398	4.176	40	30		FIEBRM
CCCCCCCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1	ZINC000588229111	570782928	/nfs/dbraw/zinc/78/29/28/570782928.db2.gz	FJLCLDJFYKVSNY-UHFFFAOYSA-N	-1	0	360.483	4.265	40	30		FIEBRM
CCOc1ccccc1/N=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000083292240	571100815	/nfs/dbraw/zinc/10/08/15/571100815.db2.gz	QACBLVCCKXZTEI-MFOYZWKCSA-N	-1	0	365.183	4.212	40	30		FIEBRM
CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035669395	571310688	/nfs/dbraw/zinc/31/06/88/571310688.db2.gz	DHDVCUOFCSFAHZ-OUYOUGTCSA-N	-1	0	366.442	4.317	40	30		FIEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(OCC(F)(F)C(F)F)cc2)c1	ZINC000003092230	571344663	/nfs/dbraw/zinc/34/46/63/571344663.db2.gz	IWBWHZOPANCIHP-ODCIPOBUSA-N	-1	0	372.274	4.330	40	30		FIEBRM
CCCCOC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1	ZINC000039557334	263399357	/nfs/dbraw/zinc/39/93/57/263399357.db2.gz	IFRDNVZVCRJSLU-QQHUYRGFSA-N	-1	0	369.417	4.246	40	30		FIEBRM
Cc1cc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])ccc1F	ZINC000409090016	263524002	/nfs/dbraw/zinc/52/40/02/263524002.db2.gz	OCCOEZKQMPZACH-REZTVBANSA-N	-1	0	353.147	4.261	40	30		FIEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccccc1I	ZINC000408551244	570543225	/nfs/dbraw/zinc/54/32/25/570543225.db2.gz	MRMXXQOHDVXLRM-MFOYZWKCSA-N	-1	0	365.170	4.048	40	30		FIEBRM
C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S	ZINC000001506159	570652985	/nfs/dbraw/zinc/65/29/85/570652985.db2.gz	AUXYITBDQGHTIJ-GDNBJRDFSA-N	-1	0	371.439	4.032	40	30		FIEBRM
Cc1cc(Br)ccc1/N=C\c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000408848209	570691994	/nfs/dbraw/zinc/69/19/94/570691994.db2.gz	QVPRYCBCBWHFJC-FGHSJCFPSA-N	-1	0	362.223	4.360	40	30		FIEBRM
Cc1ccc(/N=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c(Br)c1	ZINC000408851578	570692505	/nfs/dbraw/zinc/69/25/05/570692505.db2.gz	LHZYTURELUQABI-ZTPSMGMTSA-N	-1	0	362.223	4.360	40	30		FIEBRM
C=CCc1cc(/C=N/c2ccc(CC)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000408859011	570693694	/nfs/dbraw/zinc/69/36/94/570693694.db2.gz	VASQXQBEDBKXFS-LPYMAVHISA-N	-1	0	353.418	4.200	40	30		FIEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1	ZINC000408960801	570702863	/nfs/dbraw/zinc/70/28/63/570702863.db2.gz	OESZVSUEPRAJAQ-RGVLZGJSSA-N	-1	0	365.345	4.307	40	30		FIEBRM
[O-]c1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl	ZINC000409032245	570714712	/nfs/dbraw/zinc/71/47/12/570714712.db2.gz	MBRXNUQHMHFFDP-DYUKFFQPSA-N	-1	0	373.055	4.413	40	30		FIEBRM
Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409215143	570741372	/nfs/dbraw/zinc/74/13/72/570741372.db2.gz	XJBJKOYLCVFYKA-MTJSOVHGSA-N	-1	0	363.373	4.451	40	30		FIEBRM
CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000409240242	570743549	/nfs/dbraw/zinc/74/35/49/570743549.db2.gz	PDEIEQCRLBFVIQ-HYARGMPZSA-N	-1	0	362.385	4.103	40	30		FIEBRM
Cc1cc(C)c(O)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000003032494	571343773	/nfs/dbraw/zinc/34/37/73/571343773.db2.gz	QFRSUGZWYWAEHQ-REZTVBANSA-N	-1	0	365.183	4.136	40	30		FIEBRM
N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)cc1	ZINC000000990864	219350020	/nfs/dbraw/zinc/35/00/20/219350020.db2.gz	NZDSLAZGOHKGCW-RBUKOAKNSA-N	-1	0	364.401	4.180	40	30		FIEBRM
O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1	ZINC000015987990	220174298	/nfs/dbraw/zinc/17/42/98/220174298.db2.gz	NBBDKPIFSBNFRC-MFOYZWKCSA-N	-1	0	365.846	4.432	40	30		FIEBRM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2O)cc1	ZINC000051340006	221035734	/nfs/dbraw/zinc/03/57/34/221035734.db2.gz	WTRXHZVUNGAFEX-NDENLUEZSA-N	-1	0	352.463	4.493	40	30		FIEBRM
O=C(C=C([O-])c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100034233	222233473	/nfs/dbraw/zinc/23/34/73/222233473.db2.gz	MYWBHGPUNSBHHA-UHFFFAOYSA-N	-1	0	366.179	4.297	40	30		FIEBRM
Cc1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2C(F)(F)F)c1C	ZINC000100355506	222241545	/nfs/dbraw/zinc/24/15/45/222241545.db2.gz	RYEBKVOVLASCLA-HAHDFKILSA-N	-1	0	360.339	4.036	40	30		FIEBRM
COc1cc(/C=N/c2cccnc2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059249967	263417240	/nfs/dbraw/zinc/41/72/40/263417240.db2.gz	YTIZBIDEGXLIKX-FSJBWODESA-N	-1	0	362.385	4.118	40	30		FIEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccccc2N2CCCCC2)c1[O-]	ZINC000066339483	520787548	/nfs/dbraw/zinc/78/75/48/520787548.db2.gz	VWRBOHNYMABEPI-KGENOOAVSA-N	-1	0	369.421	4.440	40	30		FIEBRM
COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1	ZINC000004880863	570553914	/nfs/dbraw/zinc/55/39/14/570553914.db2.gz	PHUULEWACYAQCG-UHFFFAOYSA-N	-1	0	365.414	4.024	40	30		FIEBRM
CC(C)[C@]12CCC(=O)C=C1CCC[C@H]2OC(=O)c1ccccc1C(=O)[O-]	ZINC000005124588	570621691	/nfs/dbraw/zinc/62/16/91/570621691.db2.gz	PCHQKPBVBNDDJB-WIYYLYMNSA-N	-1	0	356.418	4.026	40	30		FIEBRM
COc1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2[O-])cc1Br	ZINC000006825465	570655354	/nfs/dbraw/zinc/65/53/54/570655354.db2.gz	AIWFORLDNXZORU-CAOOACKPSA-N	-1	0	365.183	4.131	40	30		FIEBRM
CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccc(Cl)cc1	ZINC000008642743	570684330	/nfs/dbraw/zinc/68/43/30/570684330.db2.gz	QXXWMRGRQYHKTG-IRPUWQMBSA-N	-1	0	372.833	4.272	40	30		FIEBRM
C=CCc1cc(/C=N\c2ccc(C)cc2C)cc(OC)c1OCC(=O)[O-]	ZINC000408858591	570692802	/nfs/dbraw/zinc/69/28/02/570692802.db2.gz	UGRSJBDSZIJJCG-UUYOSTAYSA-N	-1	0	353.418	4.255	40	30		FIEBRM
COc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)cn1	ZINC000408959523	570702944	/nfs/dbraw/zinc/70/29/44/570702944.db2.gz	AIDQPJKHFMAKGM-UUYOSTAYSA-N	-1	0	362.385	4.118	40	30		FIEBRM