smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ncc(COP(=O)([O-])[O-])c(C=C2SC(=S)NC2=O)c1O	ZINC000001860836	204021062	/nfs/dbraw/zinc/02/10/62/204021062.db2.gz	WJDPAGLWZIPYMX-WAPJZHGLSA-N	-2	0	362.325	1.194	1	10		FDCFRL
O=C([O-])[C@@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000013687312	207475589	/nfs/dbraw/zinc/47/55/89/207475589.db2.gz	RBQJYPYYMZHKHT-ZETCQYMHSA-N	-2	0	358.224	1.847	1	10		FDCFRL
C[C@H](CCC(=O)[O-])N1Cc2c(cc3c(c2O)C[C@@H]([C@@H](C)C(=O)[O-])O3)C1=O	ZINC000103291159	209251650	/nfs/dbraw/zinc/25/16/50/209251650.db2.gz	UEYUGQNDRBSZRZ-KKFJDGPESA-N	-2	0	363.366	1.626	1	10		FDCFRL
COC(=O)c1c([S-])c2sc(=S)sc2c([S-])c1C(=O)OC	ZINC000101071951	222260816	/nfs/dbraw/zinc/26/08/16/222260816.db2.gz	APKPIVAAWYXKLN-HTQZYQBOSA-N	-2	0	364.516	1.885	1	10		FDCFRL
C[C@@H](C(=O)[O-])[C@@H]1Cc2c(cc3c(c2O)CN([C@@H](C)CCC(=O)[O-])C3=O)O1	ZINC000103291154	222331470	/nfs/dbraw/zinc/33/14/70/222331470.db2.gz	UEYUGQNDRBSZRZ-RWEMILLDSA-N	-2	0	363.366	1.626	1	10		FDCFRL
Cc1[n-][nH]c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000100905056	222256202	/nfs/dbraw/zinc/25/62/02/222256202.db2.gz	GVOQEMCDLZKQPG-JCNXWTJJSA-N	-2	0	364.412	1.902	1	10		FDCFRL
COC(=O)c1c([S-])c2sc(=S)sc2c([S-])c1C(=O)OC	ZINC000040576972	205073152	/nfs/dbraw/zinc/07/31/52/205073152.db2.gz	APKPIVAAWYXKLN-OCAPTIKFSA-N	-2	0	364.516	1.885	1	10		FDCFRL
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(O)c(O)c1)C(=O)[O-])C2=O	ZINC000013815955	211062041	/nfs/dbraw/zinc/06/20/41/211062041.db2.gz	SICOVVXCBPXHSB-GFCCVEGCSA-N	-2	0	371.301	1.088	1	10		FDCFRL
O=C([O-])[C@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000013687309	211049494	/nfs/dbraw/zinc/04/94/94/211049494.db2.gz	RBQJYPYYMZHKHT-SSDOTTSWSA-N	-2	0	358.224	1.847	1	10		FDCFRL