smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C#N)c(=O)n(CCO)c([O-])c1Cc1c(C)c(C#N)c(=O)n(CCO)c1[O-]	ZINC000003174174	568859752	/nfs/dbraw/zinc/85/97/52/568859752.db2.gz	NYWXVKARNNFLTM-UHFFFAOYSA-N	-2	0	400.391	-0.643	40	30		HBEBRL
O=S(=O)([O-])[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](O)S(=O)(=O)[O-]	ZINC000104271287	559159623	/nfs/dbraw/zinc/15/96/23/559159623.db2.gz	BAADKBLLDHCFHA-LWMBPPNESA-N	-2	0	422.224	-0.060	40	30		HBEBRL
O=S(=O)([O-])[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](O)S(=O)(=O)[O-]	ZINC000104271290	559159630	/nfs/dbraw/zinc/15/96/30/559159630.db2.gz	BAADKBLLDHCFHA-XIXRPRMCSA-N	-2	0	422.224	-0.060	40	30		HBEBRL
O=S(=O)([O-])[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](O)S(=O)(=O)[O-]	ZINC000104271294	559159617	/nfs/dbraw/zinc/15/96/17/559159617.db2.gz	BAADKBLLDHCFHA-JCYAYHJZSA-N	-2	0	422.224	-0.060	40	30		HBEBRL