smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc2nc(-c3ccc(-c4ccc(C(=O)[O-])cc4)o3)[n-]c(=O)c2c1C	ZINC000033333332	263395669	/nfs/dbraw/zinc/39/56/69/263395669.db2.gz	QTQBBNVCJYKPHO-UHFFFAOYSA-N	-2	1	366.398	4.227	40	0		FIABML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1	ZINC000013027424	205074122	/nfs/dbraw/zinc/07/41/22/205074122.db2.gz	DSEDSFYVNVEGCJ-UHFFFAOYSA-N	-2	1	367.426	4.161	40	0		FIABML
O=C(C=C([O-])c1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1[O-]	ZINC000100356802	570503122	/nfs/dbraw/zinc/50/31/22/570503122.db2.gz	KFJJJMUMADXNOJ-UHFFFAOYSA-N	-2	1	360.365	4.067	40	0		FIABML
Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2c1C(=O)[O-]	ZINC000011615816	570484118	/nfs/dbraw/zinc/48/41/18/570484118.db2.gz	IHEXWGDUPPZWHM-UHFFFAOYSA-N	-2	1	373.430	4.364	40	0		FIABML
O=C([O-])c1cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2s1	ZINC000034776344	571074073	/nfs/dbraw/zinc/07/40/73/571074073.db2.gz	ZVPPQCPUDQIBMR-UHFFFAOYSA-N	-2	1	367.835	4.054	40	0		FIABML
O=C1[N-]C(=S)SC1=Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1	ZINC000016951929	220198839	/nfs/dbraw/zinc/19/88/39/220198839.db2.gz	GGXMXFQFHMQABK-OZDSWYPASA-N	-2	1	364.498	4.345	40	0		FIABML
Cc1sc2nc(-c3ccc(-c4ccccc4C(=O)[O-])o3)[n-]c(=O)c2c1C	ZINC000005611932	571294938	/nfs/dbraw/zinc/29/49/38/571294938.db2.gz	AMOARAHKRABYEW-UHFFFAOYSA-N	-2	1	366.398	4.227	40	0		FIABML