smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)NC(=O)c1c(C#N)c(=O)[n-]c(=O)n1CC(=O)NCC(=O)NCC(=O)[O-]	ZINC000020032722	520971931	/nfs/dbraw/zinc/97/19/31/520971931.db2.gz	GCXAKEYTXLRZCL-UHFFFAOYSA-N	-2	0	424.326	-2.976	50	30		HAEARL
N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1OS(=O)(=O)[O-])[C@H](O)CO	ZINC000102187472	559149555	/nfs/dbraw/zinc/14/95/55/559149555.db2.gz	WRQFMPHZWNXICI-FXORJUKFSA-N	-2	0	417.345	-4.514	50	30		HAEARL
N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1O)[C@H](O)COS(=O)(=O)[O-]	ZINC000102187483	559149573	/nfs/dbraw/zinc/14/95/73/559149573.db2.gz	XECORLGNFRZQKY-FXORJUKFSA-N	-2	0	417.345	-4.514	50	30		HAEARL