smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216790706	569879286	/nfs/dbraw/zinc/87/92/86/569879286.db2.gz	VSMRRXUXSVARCP-UHFFFAOYSA-N	1	2	467.389	2.361	40	70		JEIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216794764	569879421	/nfs/dbraw/zinc/87/94/21/569879421.db2.gz	FKHIQLOTABYUAG-UHFFFAOYSA-N	1	2	474.583	2.166	40	70		JEIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1N1CC[NH+](C)CC1	ZINC000216791450	569879299	/nfs/dbraw/zinc/87/92/99/569879299.db2.gz	REKXSNYBEMUUCZ-UHFFFAOYSA-N	1	2	452.964	2.261	40	70		JEIBLO
CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2OC)cc1	ZINC000216788498	569879317	/nfs/dbraw/zinc/87/93/17/569879317.db2.gz	LNFJPXUACNGKPL-UHFFFAOYSA-N	1	2	461.540	2.060	40	70		JEIBLO
CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000216796249	569879419	/nfs/dbraw/zinc/87/94/19/569879419.db2.gz	UHOXSEKYOWSFAR-UHFFFAOYSA-N	1	2	474.004	2.476	40	70		JEIBLO
CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C	ZINC000216796069	569879350	/nfs/dbraw/zinc/87/93/50/569879350.db2.gz	MKMYOSBFYNSLDN-UHFFFAOYSA-N	1	2	453.586	2.131	40	70		JEIBLO
CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216785482	569879284	/nfs/dbraw/zinc/87/92/84/569879284.db2.gz	QCVASQNVCIAENL-UHFFFAOYSA-N	1	2	461.540	2.060	40	70		JEIBLO
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000216796424	569879390	/nfs/dbraw/zinc/87/93/90/569879390.db2.gz	GWLUOPWQGNKIIJ-UHFFFAOYSA-N	1	2	459.977	2.086	40	70		JEIBLO
CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000216842616	569879799	/nfs/dbraw/zinc/87/97/99/569879799.db2.gz	NALQYTIOZADKBN-UHFFFAOYSA-N	1	2	460.556	2.232	40	70		JEIBLO