smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000012404727	563659999	/nfs/dbraw/zinc/65/99/99/563659999.db2.gz	NOOGFRZLFMBLBG-DAYGRLMNSA-N	-2	0	335.359	3.910	50	10		EHCARL
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3SC(=O)NC3=O)o2)c1	ZINC000004699738	563964814	/nfs/dbraw/zinc/96/48/14/563964814.db2.gz	VAZUZWQSGGSYOE-SDQBBNPISA-N	-2	0	349.751	3.622	50	10		EHCARL
O=C([O-])CCc1ccc(-c2ccccc2)n1-c1ccc(C(=O)[O-])cc1	ZINC000000559577	564023139	/nfs/dbraw/zinc/02/31/39/564023139.db2.gz	MVGJZEFMJHORGT-UHFFFAOYSA-N	-2	0	335.359	3.860	50	10		EHCARL
O=C([O-])c1ccc([C@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000012404728	211369745	/nfs/dbraw/zinc/36/97/45/211369745.db2.gz	NOOGFRZLFMBLBG-HDMKZQKVSA-N	-2	0	335.359	3.910	50	10		EHCARL
O=C([O-])c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000036081458	213060471	/nfs/dbraw/zinc/06/04/71/213060471.db2.gz	NOOGFRZLFMBLBG-MPGHIAIKSA-N	-2	0	335.359	3.910	50	10		EHCARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000005334185	564002700	/nfs/dbraw/zinc/00/27/00/564002700.db2.gz	MMQCQXLMJPBULI-BOPFTXTBSA-N	-2	0	349.390	3.720	50	10		EHCARL
O=C([O-])CCc1ccc(-c2ccccc2)n1-c1cccc(C(=O)[O-])c1	ZINC000000559578	564023145	/nfs/dbraw/zinc/02/31/45/564023145.db2.gz	VVNIDALQAIUGOU-UHFFFAOYSA-N	-2	0	335.359	3.860	50	10		EHCARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000016312164	563808455	/nfs/dbraw/zinc/80/84/55/563808455.db2.gz	SKFPAKKXKSTCIR-WOJGMQOQSA-N	-2	0	349.390	3.720	50	10		EHCARL
O=C1NC(=S)S/C1=C/c1c(Cl)cc(Cl)c([O-])c1Cl	ZINC000001093065	563374231	/nfs/dbraw/zinc/37/42/31/563374231.db2.gz	OYOHBBCZTILPIW-LZCJLJQNSA-N	-2	0	340.640	3.841	50	10		EHCARL
O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccc(C(=O)[O-])cc1	ZINC000004151205	210132391	/nfs/dbraw/zinc/13/23/91/210132391.db2.gz	RISAHTSTFIWXOL-UHFFFAOYSA-N	-2	0	341.388	3.921	50	10		EHCARL
O=C([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1O	ZINC000068267234	215295875	/nfs/dbraw/zinc/29/58/75/215295875.db2.gz	RTEYSQSXRFVKTJ-UHFFFAOYSA-N	-2	0	328.151	3.715	50	10		EHCARL
O=C([O-])c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000019889556	212079373	/nfs/dbraw/zinc/07/93/73/212079373.db2.gz	NOOGFRZLFMBLBG-RKVPGOIHSA-N	-2	0	335.359	3.910	50	10		EHCARL
O=C([O-])CCc1ccc(-c2cccs2)n1-c1cccc(C(=O)[O-])c1	ZINC000005927110	564057061	/nfs/dbraw/zinc/05/70/61/564057061.db2.gz	UNZYKHDWMZQQLL-UHFFFAOYSA-N	-2	0	341.388	3.921	50	10		EHCARL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000034208897	564003973	/nfs/dbraw/zinc/00/39/73/564003973.db2.gz	KPLLEWOZBFSHPM-GZTJUZNOSA-N	-2	0	349.390	3.720	50	10		EHCARL
O=C([O-])c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000105833242	564013610	/nfs/dbraw/zinc/01/36/10/564013610.db2.gz	NOOGFRZLFMBLBG-VKJFTORMSA-N	-2	0	335.359	3.910	50	10		EHCARL