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@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C)C(=O)N[C@@H](CSc1ncccc1[N+](=O)[O-])C(=O)NCC(N)=O	ZINC000150345665	571460011	/nfs/dbraw/zinc/46/00/11/571460011.db2.gz	RUUXMQHJVXHBGZ-ZCBIBPQVSA-N	1	0	772.886	-1.230	50	5		KABARO
CC1(C)O[C@H]2O[C@H]([C@H](O)C[NH2+][C@@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1	ZINC000198689487	571568158	/nfs/dbraw/zinc/56/81/58/571568158.db2.gz	BPQCAGCSVVRQOD-HGLCAQIPSA-N	1	0	528.471	-1.044	50	5		KABARO
CC1(C)O[C@H]2O[C@H]([C@@H](O)C[NH2+][C@@H]3[C@H](O)[C@H]4CO[C@H](O4)[C@H]3O)[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2O1	ZINC000198689505	571568400	/nfs/dbraw/zinc/56/84/00/571568400.db2.gz	BPQCAGCSVVRQOD-MHMQLOMKSA-N	1	0	528.471	-1.044	50	5		KABARO