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	563198894	/nfs/dbraw/zinc/19/88/94/563198894.db2.gz	ZUZMMQCQKMOOPA-UHFFFAOYSA-N	-1	1	444.454	2.919	1	10		IFCFMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1)c1cc(O)c(O)c(O)c1	ZINC000042989847	563116361	/nfs/dbraw/zinc/11/63/61/563116361.db2.gz	VYZUGUMDCRPGDQ-UHFFFAOYSA-N	-1	1	445.409	2.765	1	10		IFCFMM
CS(=O)(=O)Cc1c(Br)c([O-])c(O)c(Br)c1Br	ZINC000028707383	563062072	/nfs/dbraw/zinc/06/20/72/563062072.db2.gz	UQYHDNQXPJKICE-UHFFFAOYSA-N	-1	1	438.919	2.930	1	10		IFCFMM
COc1cc2c(cc1[O-])c1c(n(CCCn3ccnc3)c2=O)-c2cc3c(cc2C1=O)OCO3	ZINC000095573973	563185218	/nfs/dbraw/zinc/18/52/18/563185218.db2.gz	KNBSZXMDORKFHN-UHFFFAOYSA-N	-1	1	445.431	2.943	1	10		IFCFMM
O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc([O-])c(O)c1	ZINC000036227706	563092201	/nfs/dbraw/zinc/09/22/01/563092201.db2.gz	XUTBTACLXHTKRT-UHFFFAOYSA-N	-1	1	445.324	2.594	3	10		IFCFMM
O=C(CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)SC1=S)Nc1nnn[n-]1	ZINC000040864771	563108636	/nfs/dbraw/zinc/10/86/36/563108636.db2.gz	GOVBGQIBBJZMFO-QPEQYQDCSA-N	-1	1	446.901	2.953	1	10		IFCFMM
O=C(CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)SC1=S)Nc1nn[n-]n1	ZINC000040864771	563108637	/nfs/dbraw/zinc/10/86/37/563108637.db2.gz	GOVBGQIBBJZMFO-QPEQYQDCSA-N	-1	1	446.901	2.953	1	10		IFCFMM