smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1c(C)[nH]c2c(C(=O)[O-])cnn2c1=O	ZINC000009490674	374139878	/nfs/dbraw/zinc/13/98/78/374139878.db2.gz	MNHDMLHUSYODBO-UHFFFAOYSA-N	-1	2	235.243	1.394	10	10		BDCELM
CCCc1c(C)nc2c(C(=O)[O-])c[nH]n2c1=O	ZINC000009490674	374139890	/nfs/dbraw/zinc/13/98/90/374139890.db2.gz	MNHDMLHUSYODBO-UHFFFAOYSA-N	-1	2	235.243	1.394	10	10		BDCELM
Cc1[nH]c2c(C(=O)[O-])cnn2c(=O)c1C(C)C	ZINC000100105524	180061256	/nfs/dbraw/zinc/06/12/56/180061256.db2.gz	GMNAGILQWMXYTQ-UHFFFAOYSA-N	-1	2	235.243	1.565	10	10		BDCELM
Cc1nc2c(C(=O)[O-])c[nH]n2c(=O)c1C(C)C	ZINC000100105524	180061259	/nfs/dbraw/zinc/06/12/59/180061259.db2.gz	GMNAGILQWMXYTQ-UHFFFAOYSA-N	-1	2	235.243	1.565	10	10		BDCELM
NC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O	ZINC000022143450	181236154	/nfs/dbraw/zinc/23/61/54/181236154.db2.gz	PCHZSVPAGYECEH-UHFFFAOYSA-N	-1	2	249.097	1.274	10	10		BDCELM