smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N=O)c([O-])c(N=O)c1[O-]	238460048	573631495	/nfs/dbraw/zinc/63/14/95/573631495.db2.gz	OEWFQUUKOHONTO-UHFFFAOYSA-N	-2	1	182.135	2.202	10	0		AEAEML
Cc1cc([O-])c(N=O)c([O-])c1N=O	116651429	571713818	/nfs/dbraw/zinc/71/38/18/571713818.db2.gz	QFJOXNPQQYWEIO-UHFFFAOYSA-N	-2	1	182.135	2.202	10	0		AEAEML
CC(C)c1ccc([O-])c2occ([O-])c12	714105435	572601651	/nfs/dbraw/zinc/60/16/51/572601651.db2.gz	LFXKLXITCBJGOT-UHFFFAOYSA-N	-2	1	192.214	2.091	10	0		AEAEML
O=C([O-])/C=C\c1cccc([O-])c1Cl	393281269	572636156	/nfs/dbraw/zinc/63/61/56/572636156.db2.gz	XVWYAYZPIWVVKV-PLNGDYQASA-N	-2	1	198.605	2.143	10	0		AEAEML
O=Cc1c(O)cc(O)c2ccccc12	115004262	573154039	/nfs/dbraw/zinc/15/40/39/573154039.db2.gz	MFYFZAYWFVCZES-UHFFFAOYSA-N	-2	1	188.182	2.064	10	0		AEAEML
Cc1cc2cc(C(=O)[O-])cc([O-])c2o1	108268530	573716731	/nfs/dbraw/zinc/71/67/31/573716731.db2.gz	VLGQQSBKLATNIK-UHFFFAOYSA-N	-2	1	192.170	2.145	10	0		AEAEML
O=C([O-])/C=C/c1ccc([O-])c(Cl)c1	2504928	169334115	/nfs/dbraw/zinc/33/41/15/169334115.db2.gz	VOTXWNQLOVWHNB-DUXPYHPUSA-N	-2	1	198.605	2.143	10	0	in-vitro	AEAEML
O=C([O-])/C=C\c1ccc([O-])c(Cl)c1	95935325	169335079	/nfs/dbraw/zinc/33/50/79/169335079.db2.gz	VOTXWNQLOVWHNB-RQOWECAXSA-N	-2	1	198.605	2.143	10	0		AEAEML
O=C([O-])/C=C/c1cccc([O-])c1Cl	306655346	345521277	/nfs/dbraw/zinc/52/12/77/345521277.db2.gz	XVWYAYZPIWVVKV-SNAWJCMRSA-N	-2	1	198.605	2.143	10	0		AEAEML
CC(=O)c1c(F)cc([O-])cc1[S-]	575704520	352891042	/nfs/dbraw/zinc/89/10/42/352891042.db2.gz	XFUPONBNMHCBDS-UHFFFAOYSA-N	-2	1	186.207	2.023	10	0		AEAEML