smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)[O-]	ZINC000003922430	562929886	/nfs/dbraw/zinc/92/98/86/562929886.db2.gz	PCFMKLVXKKAJSV-XSLAGTTESA-N	-1	1	498.671	0.434	10	30		JCEEMM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000013471826	562965656	/nfs/dbraw/zinc/96/56/56/562965656.db2.gz	WGRDTCQSCXOTES-YTFOTSKYSA-N	-1	1	464.654	0.238	10	30		JCEEMM
COC(=O)c1c(C)c2c([O-])c3c(cc2cc1OC)C(=O)[C@@]1(O)[C@H](O)C(OC)=CC(=O)[C@@]1(OC)C3=O	ZINC000031416760	563108046	/nfs/dbraw/zinc/10/80/46/563108046.db2.gz	QSPIPUXWSNFXCK-AGILITTLSA-N	-1	1	486.429	0.618	10	30	in-vitro	JCEEMM
CN(C)c1ccc(O)c2c([O-])c3c(cc12)C[C@H]1[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]1(O)C3=O	ZINC000077300767	569705757	/nfs/dbraw/zinc/70/57/57/569705757.db2.gz	GUNFOZREGBRAGY-RYNWUYHSSA-N	-1	1	455.467	0.213	10	30	in-vitro	JCEEMM