smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3ncnc4[nH]cnc43)c2)cc1	ZINC000096932734	563198897	/nfs/dbraw/zinc/19/88/97/563198897.db2.gz	ZUZMMQCQKMOOPA-UHFFFAOYSA-N	-2	3	444.454	2.919	1	10		IFCFHL
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1)c1cc(O)c([O-])c(O)c1	ZINC000042989847	563116362	/nfs/dbraw/zinc/11/63/62/563116362.db2.gz	VYZUGUMDCRPGDQ-UHFFFAOYSA-N	-2	3	445.409	2.765	1	10		IFCFHL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2Cl)C(CP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000027092533	563039302	/nfs/dbraw/zinc/03/93/02/563039302.db2.gz	ATSGCKPXOYZTMH-ISLYRVAYSA-N	-3	3	449.765	2.901	1	10		IFCFHL
O=c1oc2c([O-])c(Oc3ccc(O)c([O-])c3O)cc3c(=O)oc4c(O)c([O-])cc1c4c32	ZINC000015150733	563017684	/nfs/dbraw/zinc/01/76/84/563017684.db2.gz	LGMNKSBINQXDAI-UHFFFAOYSA-N	-3	3	426.289	2.516	1	10		IFCFHL
Nc1ccc(C(=O)Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)c(O)c2)cc1O	ZINC000073223489	563170854	/nfs/dbraw/zinc/17/08/54/563170854.db2.gz	NUXVWECZIODHRU-UHFFFAOYSA-N	-2	3	437.360	2.789	1	10		IFCFHL
Nc1cc(C(=O)Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)c(O)c2)ccc1O	ZINC000073240849	563171333	/nfs/dbraw/zinc/17/13/33/563171333.db2.gz	HKABVAZPZRSPQV-UHFFFAOYSA-N	-2	3	437.360	2.789	1	10		IFCFHL