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@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(O)ccc1[O-])C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000029407669	553844696	/nfs/dbraw/zinc/84/46/96/553844696.db2.gz	WNCIWSMKRPFIJY-BTAJCFKJSA-N	-1	3	605.693	-0.249	40	30		KBEBHM
CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(O)ccc1[O-])[C@@H](C)CC)C(=O)[O-]	ZINC000029407675	553844707	/nfs/dbraw/zinc/84/47/07/553844707.db2.gz	WNCIWSMKRPFIJY-FJDVCEGKSA-N	-1	3	605.693	-0.249	40	30		KBEBHM