smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(c1cc(Cl)c([O-])c(Cl)c1)c1cc(Cl)c([O-])c(Cl)c1	ZINC000001769017	210370068	/nfs/dbraw/zinc/37/00/68/210370068.db2.gz	KYPYTERUKNKOLP-UHFFFAOYSA-N	-2	0	366.071	6.037	50	0	in-vitro	FKAARL
CC(C)(C)c1sc(C(=O)[O-])cc1-c1cc(C(=O)[O-])sc1C(C)(C)C	ZINC000002172969	206904397	/nfs/dbraw/zinc/90/43/97/206904397.db2.gz	PIAVHZFTRPNQHS-UHFFFAOYSA-N	-2	0	366.504	5.468	50	0		FKAARL
CSC(=S)[N-]c1ccc(-c2ccc([N-]C(=S)SC)cc2)cc1	ZINC000004235690	207008619	/nfs/dbraw/zinc/00/86/19/207008619.db2.gz	POTPKSJWZMREAR-UHFFFAOYSA-N	-2	0	364.586	5.473	50	0		FKAARL
O=C([O-])CCCCCCCCCCCCCCCCCCCCC(=O)[O-]	ZINC000004262019	204129363	/nfs/dbraw/zinc/12/93/63/204129363.db2.gz	DGXRZJSPDXZJFG-UHFFFAOYSA-N	-2	0	370.574	6.958	50	0	biogenic,in-vitro	FKAARL
O=C([O-])c1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1	ZINC000023425400	211389567	/nfs/dbraw/zinc/38/95/67/211389567.db2.gz	GCIXRJJXHZPDFP-ZZXKWVIFSA-N	-2	0	360.196	5.116	50	0		FKAARL
O=C([O-])c1ccc(/C=C\c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc1	ZINC000033412272	208090458	/nfs/dbraw/zinc/09/04/58/208090458.db2.gz	GCIXRJJXHZPDFP-UTCJRWHESA-N	-2	0	360.196	5.116	50	0		FKAARL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])[O-]	ZINC000033956040	571067381	/nfs/dbraw/zinc/06/73/81/571067381.db2.gz	VHUBNUSXPIJYSG-QIRCYJPOSA-N	-2	0	370.470	6.241	50	0	in-vitro	FKAARL
CCCCC/C=C\C/C=C\C/C=C\CCCCCC(C(=O)[O-])C(=O)[O-]	ZINC000071770228	571166309	/nfs/dbraw/zinc/16/63/09/571166309.db2.gz	SCMYUYANORCRFG-QNEBEIHSSA-N	-2	0	350.499	5.751	50	0		FKAARL