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(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC001447107216	1066774255	/nfs/dbraw/zinc/77/42/55/1066774255.db2.gz	JLWOXDZLDNRAOW-UHFFFAOYSA-N	-2	0	452.363	4.897	20	0		JJADRL
O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)c1	ZINC000012560794	556053353	/nfs/dbraw/zinc/05/33/53/556053353.db2.gz	KPHRKGCXQPTPRQ-UHFFFAOYSA-N	-2	0	479.377	4.635	20	0		JJADRL
O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC001545824007	1067168652	/nfs/dbraw/zinc/16/86/52/1067168652.db2.gz	HOPNUMFQCOMPGY-UHFFFAOYSA-N	-2	0	452.363	4.897	20	0		JJADRL
Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]c2nnc(CCC(C)C)s2)cc1	ZINC001453375329	1067301932	/nfs/dbraw/zinc/30/19/32/1067301932.db2.gz	IPYGUPMSCYWRHJ-UHFFFAOYSA-N	-2	0	450.611	4.550	20	0		JJADRL
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2[O-])ccc1Cl	ZINC001450977366	1067137897	/nfs/dbraw/zinc/13/78/97/1067137897.db2.gz	IXRZEQVZVUKPNM-UHFFFAOYSA-N	-2	0	452.866	4.685	20	0		JJADRL
O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC001447105335	1066773765	/nfs/dbraw/zinc/77/37/65/1066773765.db2.gz	HUPZFXLLKHNRNK-UHFFFAOYSA-N	-2	0	455.294	4.891	20	0		JJADRL
O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC001449220464	1066990536	/nfs/dbraw/zinc/99/05/36/1066990536.db2.gz	NAIVMYOVZDNPQL-UHFFFAOYSA-N	-2	0	455.294	4.891	20	0		JJADRL
O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC001446234324	1066676519	/nfs/dbraw/zinc/67/65/19/1066676519.db2.gz	VDPRCJVFBNHSCD-UHFFFAOYSA-N	-2	0	457.360	4.743	20	0		JJADRL