smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000514292681	1066225445	/nfs/dbraw/zinc/22/54/45/1066225445.db2.gz	ONUCXQYHJMMGEE-UHFFFAOYSA-N	1	0	511.645	1.680	20	5		KDBDRO
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1	ZINC000514295308	1066230548	/nfs/dbraw/zinc/23/05/48/1066230548.db2.gz	CIAVGSWLUWSGKU-UHFFFAOYSA-N	1	0	538.073	1.661	20	5		KDBDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000514296869	1066237531	/nfs/dbraw/zinc/23/75/31/1066237531.db2.gz	OXGDCGISHNBRQO-UHFFFAOYSA-N	1	0	529.616	1.475	20	5		KDBDRO
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c([N+](=O)[O-])c1	ZINC000514297794	1066243166	/nfs/dbraw/zinc/24/31/66/1066243166.db2.gz	UYECIKCONUMFEB-UHFFFAOYSA-N	1	0	582.524	1.770	20	5		KDBDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000514299536	1066249754	/nfs/dbraw/zinc/24/97/54/1066249754.db2.gz	HNBWSZGNBMLPSE-UHFFFAOYSA-N	1	0	522.603	1.725	20	5		KDBDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1	ZINC000514391425	1066313095	/nfs/dbraw/zinc/31/30/95/1066313095.db2.gz	IXIWDHXPCBFEFM-UHFFFAOYSA-N	1	0	501.613	1.795	20	5		KDBDRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000514394834	1066337348	/nfs/dbraw/zinc/33/73/48/1066337348.db2.gz	UJQABOFTJDCZCR-UHFFFAOYSA-N	1	0	504.613	1.586	20	5		KDBDRO
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(=O)NC3CC[NH+](CC)CC3)CC2)c([N+](=O)[O-])c1	ZINC000514400974	1066319195	/nfs/dbraw/zinc/31/91/95/1066319195.db2.gz	HKCUNDWTMLAUNI-UHFFFAOYSA-N	1	0	510.661	1.348	20	5		KDBDRO