smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000104691374	569846116	/nfs/dbraw/zinc/84/61/16/569846116.db2.gz	CUJCFMVUUMIFDR-PQUFTOPASA-N	-2	2	457.483	0.030	40	30		JCEBLL
C=C1c2c(Cl)ccc(O)c2C(=O)C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@H]12	ZINC000199169700	569873922	/nfs/dbraw/zinc/87/39/22/569873922.db2.gz	RNIADBXQDMCFEN-DZZAAQMJSA-N	-2	2	476.869	0.059	40	30		JCEBLL