smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(C)=NNc2n[n-]c(=S)[nH]2)cc1	ZINC000254416503	371536126	/nfs/dbraw/zinc/53/61/26/371536126.db2.gz	IPAKKCCVJXATBA-UHFFFAOYSA-N	-2	1	263.326	2.312	10	30		CEEEML
C=CCN(CC(=O)[O-])C(=O)c1ccc2ccccc2c1[O-]	ZINC000092461990	180390246	/nfs/dbraw/zinc/39/02/46/180390246.db2.gz	WQNFBLQKRVWQMP-UHFFFAOYSA-N	-2	1	285.299	2.258	10	30		CEEEML
O=C1[N-]C(=O)C(=C([O-])c2ccc(-c3ccccc3)cc2)C1=O	ZINC000584619724	344967059	/nfs/dbraw/zinc/96/70/59/344967059.db2.gz	NAYQYVXYHWJONK-UHFFFAOYSA-N	-2	1	293.278	2.005	10	30		CEEEML
C=CCN(CCc1cc(=O)oc2cc([O-])ccc12)C(=O)[O-]	ZINC000616220611	348462390	/nfs/dbraw/zinc/46/23/90/348462390.db2.gz	APVGOTUEVAIBDJ-UHFFFAOYSA-N	-2	1	289.287	2.207	10	30		CEEEML