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](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028015209	561897108	/nfs/dbraw/zinc/89/71/08/561897108.db2.gz	SKBKAXRCJDAFOX-QORCZRPOSA-N	0	1	657.750	-0.272	1	5		KBBFMN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O	ZINC000029216185	562006464	/nfs/dbraw/zinc/00/64/64/562006464.db2.gz	SEWBMHKHQJRBPR-NSXWQBIQSA-N	0	1	613.672	-0.465	1	5		KBBFMN
COc1ccc(C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](CCSC)C(N)=O)cc1	ZINC000029220322	562007097	/nfs/dbraw/zinc/00/70/97/562007097.db2.gz	LLSRGVBOFXNBJV-NSXWQBIQSA-N	0	1	645.739	-0.455	1	5		KBBFMN
CC(C)C[C@H](NC(=O)[C@H](C)NCc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O	ZINC000169307667	562853886	/nfs/dbraw/zinc/85/38/86/562853886.db2.gz	NWMKZEAPQDEXRH-HCUBDLJJSA-O	0	1	593.746	-0.283	1	5		KBBFMN