smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)c1c(=O)[n-]c(=S)[nH]c1[O-]	ZINC000102970990	560836189	/nfs/dbraw/zinc/83/61/89/560836189.db2.gz	VKYZUTWNVKMMBR-UHFFFAOYSA-N	-2	3	405.175	0.556	40	5		HCBBHL
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C([O-])=C1C(=O)[N-]C(=S)NC1=O	ZINC000102970990	560836187	/nfs/dbraw/zinc/83/61/87/560836187.db2.gz	VKYZUTWNVKMMBR-UHFFFAOYSA-N	-2	3	405.175	0.556	40	5		HCBBHL
O=C([O-])c1cnc(C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[n-]c1=O	ZINC000224968566	569312229	/nfs/dbraw/zinc/31/22/29/569312229.db2.gz	ISGSTZMBQALYJZ-UHFFFAOYSA-N	-2	3	408.392	0.945	40	5		HCBBHL
O=C([O-])c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)[n-]c1=O	ZINC000224969372	568606635	/nfs/dbraw/zinc/60/66/35/568606635.db2.gz	WIIYMOOHCSOBNQ-SNVBAGLBSA-N	-2	3	408.392	0.945	40	5		HCBBHL
O=C([O-])c1cnc([C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)[n-]c1=O	ZINC000224969416	569312224	/nfs/dbraw/zinc/31/22/24/569312224.db2.gz	WIIYMOOHCSOBNQ-JTQLQIEISA-N	-2	3	408.392	0.945	40	5		HCBBHL
O=C([O-])c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)[n-]c1=O	ZINC000224969477	569312216	/nfs/dbraw/zinc/31/22/16/569312216.db2.gz	BAKOUEKKBXSERE-SNVBAGLBSA-N	-2	3	408.392	0.945	40	5		HCBBHL
O=C([O-])c1cnc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)[n-]c1=O	ZINC000224969521	569312196	/nfs/dbraw/zinc/31/21/96/569312196.db2.gz	BAKOUEKKBXSERE-JTQLQIEISA-N	-2	3	408.392	0.945	40	5		HCBBHL