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)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015721253	553534741	/nfs/dbraw/zinc/53/47/41/553534741.db2.gz	ZNKZJCICBFSACN-FHWLQOOXSA-N	2	0	506.608	0.796	40	5		KCBBRP
NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788454	553639264	/nfs/dbraw/zinc/63/92/64/553639264.db2.gz	UMXUPKWQORIVFR-SFTDATJTSA-N	2	0	584.638	0.840	40	5		KCBBRP
NC(=[NH2+])NCCC[C@@H](C(=O)NC(=O)[C@@H]1CCCC[NH2+]1)N(C(=O)[C@H]([NH3+])CC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1	ZINC001570007626	1066291480	/nfs/dbraw/zinc/29/14/80/1066291480.db2.gz	OBDOJUIACHJPTH-WZUMBGCGSA-N	3	0	574.683	0.613	40	5		KCBBRP
NC(=[NH2+])NCCC[C@@H](C(=O)NC(=O)[C@H]1CCCC[NH2+]1)N(C(=O)[C@H]([NH3+])CC1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1	ZINC001570007640	1066291425	/nfs/dbraw/zinc/29/14/25/1066291425.db2.gz	OBDOJUIACHJPTH-XFUWJMGESA-N	3	0	574.683	0.613	40	5		KCBBRP