smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C[NH2+]CC(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)NCCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000027715908	561880134	/nfs/dbraw/zinc/88/01/34/561880134.db2.gz	PBXNLIVVLLDQQR-OPJGWUQDSA-N	2	1	586.690	0.169	1	10		KCCFMP
CNC(=O)C[NH2+]CC(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)NCCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000027715922	561880146	/nfs/dbraw/zinc/88/01/46/561880146.db2.gz	PBXNLIVVLLDQQR-UWUFEASWSA-N	2	1	586.690	0.169	1	10		KCCFMP
CNC(=O)C[NH2+]CC(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)NCCCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000043422698	562648418	/nfs/dbraw/zinc/64/84/18/562648418.db2.gz	PBXNLIVVLLDQQR-SWHJIRTISA-N	2	1	586.690	0.169	1	10		KCCFMP
CNC(=O)C[NH2+]CC(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)NCCCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000043422699	562648413	/nfs/dbraw/zinc/64/84/13/562648413.db2.gz	PBXNLIVVLLDQQR-QNIAMRLHSA-N	2	1	586.690	0.169	1	10		KCCFMP
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(CC3(c4ccc(N)[nH+]c4)CC[NH2+]CC3)cc(O)c1C2=O	ZINC000085568968	565144486	/nfs/dbraw/zinc/14/44/86/565144486.db2.gz	IRRJHHUYCOZXCS-SVRKAYTQSA-N	2	1	621.643	0.196	1	10	biogenic,in-vitro	KCCFMP