smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1nc(NC)nc(NC([O-])=NS(=O)(=O)c2ccccc2C(=O)[O-])n1	ZINC000021984182	570300792	/nfs/dbraw/zinc/30/07/92/570300792.db2.gz	IRLGCAJYYKDTCG-UHFFFAOYSA-N	-2	0	396.385	0.725	40	30		GCEBRL
Cc1ccc(S(=O)(=O)[N-]C(=O)OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-])cc1	ZINC000016310214	570921872	/nfs/dbraw/zinc/92/18/72/570921872.db2.gz	OQKYMXSAGLLIKY-UHFFFAOYSA-N	-4	0	389.338	0.387	40	30		GCEBRL
COc1nc(C)nc(N(C)C([O-])=NS(=O)(=O)c2ccccc2C(=O)[O-])n1	ZINC000026893058	207320387	/nfs/dbraw/zinc/32/03/87/207320387.db2.gz	BQZXUHDXIARLEO-UHFFFAOYSA-N	-2	0	381.370	0.626	40	30	in-vitro	GCEBRL
CCCCCCCCCC(c1c([O-])[nH]c(=O)[nH]c1=O)c1c([O-])[nH]c(=O)[nH]c1=O	ZINC000100923668	570279235	/nfs/dbraw/zinc/27/92/35/570279235.db2.gz	SWCKVSJDRXDTOO-UHFFFAOYSA-N	-2	0	394.428	0.708	40	30		GCEBRL