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(c1ccccc1[O-])c1cc(-c2ncc3c(=O)c4ccccc4oc3n2)c(-c2ccccc2[O-])[nH]c1=O	ZINC000016953160	553584945	/nfs/dbraw/zinc/58/49/45/553584945.db2.gz	DZVALTLNQFLCLH-UHFFFAOYSA-N	-2	3	503.470	4.401	40	5		KIBBHL
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1	ZINC000044900647	554308779	/nfs/dbraw/zinc/30/87/79/554308779.db2.gz	WXFNCXARTLVHMZ-UHFFFAOYSA-N	-2	3	515.491	4.356	40	5		KIBBHL
O=C([O-])[C@H](CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000108644319	571426460	/nfs/dbraw/zinc/42/64/60/571426460.db2.gz	PRVUNKPLPKHEPV-QHCPKHFHSA-N	-2	3	553.593	4.035	40	5		KIBBHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000112265356	571438322	/nfs/dbraw/zinc/43/83/22/571438322.db2.gz	WOBDOMMBZSZIMH-UHFFFAOYSA-N	-2	3	591.362	4.441	40	5		KIBBHL
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1	ZINC000139692110	571453504	/nfs/dbraw/zinc/45/35/04/571453504.db2.gz	UIOKYRBHPGMVPJ-UHFFFAOYSA-N	-2	3	526.390	4.100	40	5		KIBBHL