smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2c(nc(N)[n-]c2=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O	ZINC000004674533	206377459	/nfs/dbraw/zinc/37/74/59/206377459.db2.gz	VDCRFBBZFHHYGT-IOSLPCCCSA-N	-1	1	339.308	-2.734	50	30	in-man	EAEAMM
Nc1ccc(S(=O)(=O)Nc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1	ZINC000006088990	374262901	/nfs/dbraw/zinc/26/29/01/374262901.db2.gz	RGVXXIIKYGWSMH-UHFFFAOYSA-N	-1	1	327.278	-1.795	50	30		EAEAMM
CC(NCCNC(=O)c1nc(N)n[nH]1)=C1C(=O)[N-]C(=O)SC1=O	ZINC000101152015	204002185	/nfs/dbraw/zinc/00/21/85/204002185.db2.gz	UWJLCQLCQGOZIF-SNAWJCMRSA-N	-1	1	339.337	-1.510	50	30		EAEAMM