smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc([N+](=O)[O-])c1[O-]	ZINC000409345392	570752880	/nfs/dbraw/zinc/75/28/80/570752880.db2.gz	LVYKTUSSAWPAKC-IHWYPQMZSA-N	-3	3	350.243	1.589	40	5		FDBBHL
O=C([O-])CSc1cc2c(c([N+](=O)[O-])c1Cl)-n1c(=O)[n-]nc1CO2	ZINC000012428349	518613095	/nfs/dbraw/zinc/61/30/95/518613095.db2.gz	CIGRXCMKVDUZGA-UHFFFAOYSA-N	-2	3	358.719	1.191	40	5		FDBBHL
CCOC(=O)N[C@@H](c1ccccc1[N+](=O)[O-])[P@](=O)([O-])Nc1nc[n-]n1	ZINC000001590129	518232352	/nfs/dbraw/zinc/23/23/52/518232352.db2.gz	WVTCSZQSDHYCSK-SNVBAGLBSA-N	-2	3	370.262	1.755	40	5		FDBBHL
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Cl)c1[O-]	ZINC000006354864	518369654	/nfs/dbraw/zinc/36/96/54/518369654.db2.gz	QCSBWLANMCXART-ONEGZZNKSA-N	-2	3	353.718	1.900	40	5		FDBBHL
O=C([O-])c1ccc2c(c1)C(=O)N([N-]C(=O)c1ccc([N+](=O)[O-])cc1)C2=O	ZINC000020457486	518851853	/nfs/dbraw/zinc/85/18/53/518851853.db2.gz	VIAFTSRJOLXJAY-UHFFFAOYSA-N	-2	3	355.262	1.234	40	5		FDBBHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)c(O)cc2[O-])[nH]1	ZINC000033579033	519588996	/nfs/dbraw/zinc/58/89/96/519588996.db2.gz	QSKUFCBPRNARPZ-OWOJBTEDSA-N	-2	3	370.115	1.728	40	5		FDBBHL
COc1cc([N+](=O)[O-])cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])c1[O-]	ZINC000409189819	570583301	/nfs/dbraw/zinc/58/33/01/570583301.db2.gz	IXODSSLFWYXCNF-ONNFQVAWSA-N	-2	3	352.328	1.953	40	5		FDBBHL
COc1cc([N+](=O)[O-])cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c1[O-]	ZINC000409189819	570583302	/nfs/dbraw/zinc/58/33/02/570583302.db2.gz	IXODSSLFWYXCNF-ONNFQVAWSA-N	-2	3	352.328	1.953	40	5		FDBBHL
CCOC(=O)N[C@H](c1ccccc1[N+](=O)[O-])[P@](=O)([O-])Nc1nc[n-]n1	ZINC000001590130	518232313	/nfs/dbraw/zinc/23/23/13/518232313.db2.gz	WVTCSZQSDHYCSK-JTQLQIEISA-N	-2	3	370.262	1.755	40	5		FDBBHL
CCOc1c([O-])ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000033662193	519588839	/nfs/dbraw/zinc/58/88/39/519588839.db2.gz	BSFZNOGUCRIVKA-HWKANZROSA-N	-2	3	364.270	1.567	40	5		FDBBHL