smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CNC(=O)c1ccccc1)C(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C	ZINC000072266828	553646500	/nfs/dbraw/zinc/64/65/00/553646500.db2.gz	GUYPYYARYIIWJZ-DYWPJHBNSA-N	0	0	623.718	4.036	20	30	in-man	KIEDRN
Cc1cc[n+](C(C(=O)C2=CCC(=NS(C)(=O)=O)C=C2)=C([S-])Nc2ccc(C#N)c(Cl)c2)cc1	ZINC000728557613	1064285395	/nfs/dbraw/zinc/28/53/95/1064285395.db2.gz	FPCWFOSCNKCIFW-UHFFFAOYSA-O	0	0	500.025	4.314	20	30		KIEDRN
Cc1ccc[n+](C(C(=O)C2=CCC(=NS(C)(=O)=O)C=C2)=C([S-])Nc2ccc(C#N)c(Cl)c2)c1	ZINC000728558800	1064285715	/nfs/dbraw/zinc/28/57/15/1064285715.db2.gz	SHBMAEDKWGXBNH-UHFFFAOYSA-O	0	0	500.025	4.314	20	30		KIEDRN