smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[NH+]([C@@H](C)c4ccccc4)CC3)CC2)cc1[N+](=O)[O-]	ZINC000514386806	1066296661	/nfs/dbraw/zinc/29/66/61/1066296661.db2.gz	CVVIEDGAVQESLF-FQEVSTJZSA-N	1	1	531.635	1.815	20	5		KDBDMO
COc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[NH+]([C@H](C)c4ccccc4)CC3)CC2)cc1[N+](=O)[O-]	ZINC000514386807	1066296498	/nfs/dbraw/zinc/29/64/98/1066296498.db2.gz	CVVIEDGAVQESLF-HXUWFJFHSA-N	1	1	531.635	1.815	20	5		KDBDMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000514386906	1066295962	/nfs/dbraw/zinc/29/59/62/1066295962.db2.gz	ICFYGRSZFOYUGZ-UHFFFAOYSA-N	1	1	501.609	1.554	20	5		KDBDMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000514387867	1066299885	/nfs/dbraw/zinc/29/98/85/1066299885.db2.gz	SKLJXEKWTMEKHQ-FQEVSTJZSA-N	1	1	501.609	1.807	20	5		KDBDMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000514387871	1066299984	/nfs/dbraw/zinc/29/99/84/1066299984.db2.gz	SKLJXEKWTMEKHQ-HXUWFJFHSA-N	1	1	501.609	1.807	20	5		KDBDMO
C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000514395141	1066336090	/nfs/dbraw/zinc/33/60/90/1066336090.db2.gz	DDLBHMORDCYNBJ-FQEVSTJZSA-N	1	1	531.635	1.438	20	5		KDBDMO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000514395142	1066336001	/nfs/dbraw/zinc/33/60/01/1066336001.db2.gz	DDLBHMORDCYNBJ-HXUWFJFHSA-N	1	1	531.635	1.438	20	5		KDBDMO
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1	ZINC000514405815	1066341911	/nfs/dbraw/zinc/34/19/11/1066341911.db2.gz	ZYCVPCBZYZCIRT-UHFFFAOYSA-N	1	1	504.565	1.339	20	5		KDBDMO