smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216784970	569879267	/nfs/dbraw/zinc/87/92/67/569879267.db2.gz	NRAKOEKEULWQMG-UHFFFAOYSA-N	1	2	491.919	3.556	40	70		JHIBLO
COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccc(F)cc2)C[N@@H+]1C	ZINC000217720461	569881125	/nfs/dbraw/zinc/88/11/25/569881125.db2.gz	CZSNLUMFYPBMKZ-WMEMMNBJSA-N	1	2	474.488	3.939	40	70		JHIBLO
COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccc(F)cc2)C[N@H+]1C	ZINC000217720461	569881126	/nfs/dbraw/zinc/88/11/26/569881126.db2.gz	CZSNLUMFYPBMKZ-WMEMMNBJSA-N	1	2	474.488	3.939	40	70		JHIBLO
Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216878456	569879845	/nfs/dbraw/zinc/87/98/45/569879845.db2.gz	TXKUFCRCKSRKCO-UHFFFAOYSA-N	1	2	450.004	3.960	40	70		JHIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000216788240	569879323	/nfs/dbraw/zinc/87/93/23/569879323.db2.gz	HXQMSKKFDMUSHQ-UHFFFAOYSA-N	1	2	481.574	3.676	40	70		JHIBLO
CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216877688	569879856	/nfs/dbraw/zinc/87/98/56/569879856.db2.gz	VGDBHEINADSWOC-UHFFFAOYSA-N	1	2	450.004	3.653	40	70		JHIBLO
COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216785221	569879344	/nfs/dbraw/zinc/87/93/44/569879344.db2.gz	ABRDFDBDGLDOQC-UHFFFAOYSA-N	1	2	481.574	3.676	40	70		JHIBLO
CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1	ZINC000216878579	569879875	/nfs/dbraw/zinc/87/98/75/569879875.db2.gz	RPJCTCWJWCQUJK-UHFFFAOYSA-N	1	2	450.004	3.871	40	70		JHIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216794521	569879406	/nfs/dbraw/zinc/87/94/06/569879406.db2.gz	GKJCCNNTGJIVDX-UHFFFAOYSA-N	1	2	494.617	3.781	40	70		JHIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000216787968	569879306	/nfs/dbraw/zinc/87/93/06/569879306.db2.gz	CYAZRNNSXWYKFW-UHFFFAOYSA-N	1	2	491.919	3.556	40	70		JHIBLO
Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216871128	569879723	/nfs/dbraw/zinc/87/97/23/569879723.db2.gz	FGJWFKUACJEBII-UHFFFAOYSA-N	1	2	450.004	3.960	40	70		JHIBLO
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216870712	569879796	/nfs/dbraw/zinc/87/97/96/569879796.db2.gz	FREQULBGUMHKLP-UHFFFAOYSA-N	1	2	450.004	3.653	40	70		JHIBLO