smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1	ZINC000514290771	1066419370	/nfs/dbraw/zinc/41/93/70/1066419370.db2.gz	BDTSOFKARHUMIF-UHFFFAOYSA-N	1	2	532.573	4.802	20	5		KJBDLO
C[C@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000514290807	1066419336	/nfs/dbraw/zinc/41/93/36/1066419336.db2.gz	BZUJOFFAURLDDO-INIZCTEOSA-N	1	2	534.564	4.969	20	5		KJBDLO
C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000514290810	1066419386	/nfs/dbraw/zinc/41/93/86/1066419386.db2.gz	BZUJOFFAURLDDO-MRXNPFEDSA-N	1	2	534.564	4.969	20	5		KJBDLO
C[C@H](c1nnc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1-c1ccccc1)[NH+]1CCCCC1	ZINC000514392177	1066448922	/nfs/dbraw/zinc/44/89/22/1066448922.db2.gz	VGQRVJQHAJAYMJ-GOSISDBHSA-N	1	2	538.630	4.615	20	5		KJBDLO
C[C@@H](c1nnc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1-c1ccccc1)[NH+]1CCCCC1	ZINC000514392179	1066448902	/nfs/dbraw/zinc/44/89/02/1066448902.db2.gz	VGQRVJQHAJAYMJ-SFHVURJKSA-N	1	2	538.630	4.615	20	5		KJBDLO
COc1ccc(NC(=O)CCSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000514401953	1066451075	/nfs/dbraw/zinc/45/10/75/1066451075.db2.gz	CQLBIMUNFRNSTG-GOSISDBHSA-N	1	2	510.620	4.852	20	5		KJBDLO
COc1ccc(NC(=O)CCSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000514401954	1066450999	/nfs/dbraw/zinc/45/09/99/1066450999.db2.gz	CQLBIMUNFRNSTG-SFHVURJKSA-N	1	2	510.620	4.852	20	5		KJBDLO