smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C	ZINC000049109390	522782788	/nfs/dbraw/zinc/78/27/88/522782788.db2.gz	IUSDGCPJUCVNHX-UHFFFAOYSA-N	-1	3	285.299	2.415	1	5		CEBFHM
COc1c(O)ccc2oc3cccc(=O)c-3c([O-])c21	ZINC000006403337	170198672	/nfs/dbraw/zinc/19/86/72/170198672.db2.gz	HMNUZPXEMGNMTG-UHFFFAOYSA-N	-1	3	258.229	2.366	1	5	biogenic,in-vitro	CEBFHM
COc1c(O)ccc2oc3cccc([O-])c3c(=O)c21	ZINC000006403337	170198673	/nfs/dbraw/zinc/19/86/73/170198673.db2.gz	HMNUZPXEMGNMTG-UHFFFAOYSA-N	-1	3	258.229	2.366	1	5	biogenic,in-vitro	CEBFHM
COc1cccc2c(=O)c3c(O)cc([O-])c(OC)c3oc12	ZINC000014764315	560225784	/nfs/dbraw/zinc/22/57/84/560225784.db2.gz	OKHSSWSJVGEHDK-UHFFFAOYSA-N	-1	3	288.255	2.375	1	5	biogenic,in-vitro	CEBFHM
O=c1cc(OC[C@@H]2CO2)cc2[nH]c3ccccc3c([O-])c1-2	ZINC000049419253	527462624	/nfs/dbraw/zinc/46/26/24/527462624.db2.gz	ZDFSKOYYYDHYCC-SNVBAGLBSA-N	-1	3	283.283	2.165	1	5		CEBFHM
O=c1c2ccccc2[nH]c2cc(OC[C@@H]3CO3)cc([O-])c21	ZINC000049419253	527462633	/nfs/dbraw/zinc/46/26/33/527462633.db2.gz	ZDFSKOYYYDHYCC-SNVBAGLBSA-N	-1	3	283.283	2.165	1	5		CEBFHM
COc1ccc([O-])c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1	ZINC000095564096	185010635	/nfs/dbraw/zinc/01/06/35/185010635.db2.gz	QOWSYXUGFNYFKI-UHFFFAOYSA-N	-1	3	295.276	2.018	1	5		CEBFHM
Cc1cc2cc3cc(O)cc([O-])c3c(O)c2c(=O)o1	ZINC000034002965	560087700	/nfs/dbraw/zinc/08/77/00/560087700.db2.gz	CHFXJVIAQRGNOY-UHFFFAOYSA-N	-1	3	258.229	2.371	1	5	biogenic,in-vitro	CEBFHM
O=c1c2cc([N+](=O)[O-])ccc2[n-]n1Cc1ccccc1	ZINC000039126882	174163521	/nfs/dbraw/zinc/16/35/21/174163521.db2.gz	HKGFJQWIKQMOHY-UHFFFAOYSA-N	-1	3	269.260	2.286	1	5		CEBFHM
O=c1cc(OC[C@H]2CO2)cc2[nH]c3ccccc3c([O-])c1-2	ZINC000049419255	527463363	/nfs/dbraw/zinc/46/33/63/527463363.db2.gz	ZDFSKOYYYDHYCC-JTQLQIEISA-N	-1	3	283.283	2.165	1	5		CEBFHM
O=c1c2ccccc2[nH]c2cc(OC[C@H]3CO3)cc([O-])c21	ZINC000049419255	527463367	/nfs/dbraw/zinc/46/33/67/527463367.db2.gz	ZDFSKOYYYDHYCC-JTQLQIEISA-N	-1	3	283.283	2.165	1	5		CEBFHM
Cc1ccc2oc3cc(-c4nnn[n-]4)ccc3c(=O)c2c1	ZINC000045302966	175355887	/nfs/dbraw/zinc/35/58/87/175355887.db2.gz	KSSYXLRBVLRCGN-UHFFFAOYSA-N	-1	3	278.271	2.435	1	5		CEBFHM
Cc1ccc2oc3cc(-c4nn[n-]n4)ccc3c(=O)c2c1	ZINC000045302966	175355889	/nfs/dbraw/zinc/35/58/89/175355889.db2.gz	KSSYXLRBVLRCGN-UHFFFAOYSA-N	-1	3	278.271	2.435	1	5		CEBFHM
Cc1cccc2c1c(=O)c1c(O)cc([O-])cc1n2C	ZINC000005741421	170135717	/nfs/dbraw/zinc/13/57/17/170135717.db2.gz	GGXKYBVJXLRZBH-UHFFFAOYSA-N	-1	3	255.273	2.411	1	5		CEBFHM
Cn1c2cccc([N+](=O)[O-])c2c(=O)c2c(O)cc([O-])cc21	ZINC000005733066	170135026	/nfs/dbraw/zinc/13/50/26/170135026.db2.gz	WOPVVGDDIOXNGL-UHFFFAOYSA-N	-1	3	286.243	2.011	1	5		CEBFHM
Cc1ccc([O-])c(C(=O)Nc2ncc([N+](=O)[O-])s2)c1	ZINC000029124297	171586815	/nfs/dbraw/zinc/58/68/15/171586815.db2.gz	DDZDDFMFSQEFRO-UHFFFAOYSA-N	-1	3	279.277	2.318	1	5		CEBFHM
O=c1c2ccccc2oc2c([O-])c3c(cc12)OCO3	ZINC000014822048	560226813	/nfs/dbraw/zinc/22/68/13/560226813.db2.gz	JSVGXAFVTWWBRD-UHFFFAOYSA-N	-1	3	256.213	2.381	1	5	biogenic,in-vitro	CEBFHM
O=c1cccc2oc3cc(OC[C@@H]4CO4)ccc3c([O-])c1-2	ZINC000034057805	171830404	/nfs/dbraw/zinc/83/04/04/171830404.db2.gz	YORFTLUAKBODKV-SNVBAGLBSA-N	-1	3	284.267	2.429	1	5		CEBFHM
O=c1c2ccc(OC[C@@H]3CO3)cc2oc2cccc([O-])c12	ZINC000034057805	171830406	/nfs/dbraw/zinc/83/04/06/171830406.db2.gz	YORFTLUAKBODKV-SNVBAGLBSA-N	-1	3	284.267	2.429	1	5		CEBFHM
Cc1cccc2c(=O)c3c(O)cc([O-])cc3n(C)c12	ZINC000005741423	170135764	/nfs/dbraw/zinc/13/57/64/170135764.db2.gz	QHCAEKNKIQMCJQ-UHFFFAOYSA-N	-1	3	255.273	2.411	1	5		CEBFHM