smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(C)(C)c1cc(Cl)c([O-])c(C(C)(C)CC)c1	ZINC000005459831	170101362	/nfs/dbraw/zinc/10/13/62/170101362.db2.gz	LWNGLBUFFUWWBH-UHFFFAOYSA-N	-1	3	268.828	5.421	10	0		CKAEHM
[O-]c1cccc(/C=C/c2ccccc2)c1/C=C/c1ccccc1	ZINC000038612079	174149728	/nfs/dbraw/zinc/14/97/28/174149728.db2.gz	QFJLGRCDVFOSJG-YXLFCKQPSA-N	-1	3	298.385	5.733	10	0		CKAEHM
CCCCCCC(C)(C)c1ccc(Br)c([O-])c1	ZINC000039286412	260171979	/nfs/dbraw/zinc/17/19/79/260171979.db2.gz	HUDFTWYCPXXWIH-UHFFFAOYSA-N	-1	3	299.252	5.403	10	0	in-vitro	CKAEHM
[O-]c1cc(-c2cc3ccccc3s2)cc(C(F)(F)F)c1	ZINC000065344249	175714019	/nfs/dbraw/zinc/71/40/19/175714019.db2.gz	FCMWDRUUVOMDQX-UHFFFAOYSA-N	-1	3	294.297	5.293	10	0		CKAEHM
[O-]c1cc(-c2cccc3ccccc32)cc(C(F)(F)F)c1	ZINC000065344299	175713951	/nfs/dbraw/zinc/71/39/51/175713951.db2.gz	UHLQOHYRDCTVPR-UHFFFAOYSA-N	-1	3	288.268	5.231	10	0		CKAEHM