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([O-])c1ccc(/C=C2\SC(=S)[N-]C2=O)c(Cl)c1	ZINC000783685115	628734672	/nfs/dbraw/zinc/73/46/72/628734672.db2.gz	KJXWYBRHGRQOHC-YWEYNIOJSA-N	-2	1	299.760	2.527	20	10		CFCDML
O=C([O-])c1cccc(/C=C2/SC(=S)[N-]C2=O)c1Cl	ZINC000787166924	628997043	/nfs/dbraw/zinc/99/70/43/628997043.db2.gz	GGXAWDUFILAFOO-QPJJXVBHSA-N	-2	1	299.760	2.527	20	10		CFCDML
O=C([O-])c1cccc(/C=C2\SC(=S)[N-]C2=O)c1Cl	ZINC000787166921	628997128	/nfs/dbraw/zinc/99/71/28/628997128.db2.gz	GGXAWDUFILAFOO-DAXSKMNVSA-N	-2	1	299.760	2.527	20	10		CFCDML
CC(=O)c1cc(O)c([O-])cc1O[C@H](C)C1=CC=C[CH]1	ZINC001234475044	778234035	/nfs/dbraw/zinc/23/40/35/778234035.db2.gz	CGLQQLWMSRSCHK-SNVBAGLBSA-N	-2	1	259.281	2.768	20	10		CFCDML
CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C1=CC=C[CH]1	ZINC001234475041	778234176	/nfs/dbraw/zinc/23/41/76/778234176.db2.gz	CGLQQLWMSRSCHK-JTQLQIEISA-N	-2	1	259.281	2.768	20	10		CFCDML
Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])c1	ZINC000753021135	574397533	/nfs/dbraw/zinc/39/75/33/574397533.db2.gz	UIJLVJCTIPDAMZ-UHFFFAOYSA-N	-2	1	299.298	2.780	20	10		CFCDML
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)o1	ZINC000776751913	628174920	/nfs/dbraw/zinc/17/49/20/628174920.db2.gz	XWADSKXNVFNACE-UHFFFAOYSA-N	-2	1	287.724	2.748	20	10		CFCDML
O=C([N-]Cc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F	ZINC000807837484	630913192	/nfs/dbraw/zinc/91/31/92/630913192.db2.gz	RPDWPKABMDBIFN-UHFFFAOYSA-N	-2	1	288.052	2.878	20	10		CFCDML
O=C([O-])c1ccc(/C=C2/SC(=S)[N-]C2=O)c(Cl)c1	ZINC000783685090	628734606	/nfs/dbraw/zinc/73/46/06/628734606.db2.gz	KJXWYBRHGRQOHC-XBXARRHUSA-N	-2	1	299.760	2.527	20	10		CFCDML
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccoc1	ZINC000808115311	630952788	/nfs/dbraw/zinc/95/27/88/630952788.db2.gz	XFPPSLSEBJMDGH-UHFFFAOYSA-N	-2	1	291.687	2.579	20	10		CFCDML
Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])cc1	ZINC000753018895	574397513	/nfs/dbraw/zinc/39/75/13/574397513.db2.gz	PBYIESONXDQERT-UHFFFAOYSA-N	-2	1	299.298	2.780	20	10		CFCDML