smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(O)c([N-]S(C)(=O)=O)c3)CC2)cc1)C(=O)[O-]	ZINC000003934238	561688229	/nfs/dbraw/zinc/68/82/29/561688229.db2.gz	UCLMKQWLGHPTKX-ZCYQVOJMSA-N	-1	1	562.689	2.285	10	0		KEAEMM
CCCCc1[nH+]cc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1ccc(C(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000077292130	553659369	/nfs/dbraw/zinc/65/93/69/553659369.db2.gz	JVRRLPUZNDYCTR-QYCHHQBPSA-N	-1	1	600.646	2.095	10	0	in-vitro	KEAEMM
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)[O-]	ZINC000084603101	562744159	/nfs/dbraw/zinc/74/41/59/562744159.db2.gz	DZULWABHLAOJOY-ZIUUJSQJSA-N	-1	1	655.862	2.278	10	0		KEAEMM
CC1(C)SCCCSC(C)(C)[C@H](C(=O)[O-])NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000150340347	571457851	/nfs/dbraw/zinc/45/78/51/571457851.db2.gz	CBEXYCFIWCLTCY-DROSFRCNSA-N	-1	1	722.330	2.241	10	0		KEAEMM