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	210370076	/nfs/dbraw/zinc/37/00/76/210370076.db2.gz	KYPYTERUKNKOLP-UHFFFAOYSA-N	-1	2	366.071	6.037	50	0	in-vitro	FKAALM
CSC(=S)[N-]c1ccc(-c2ccc(NC(=S)SC)cc2)cc1	ZINC000004235690	207008624	/nfs/dbraw/zinc/00/86/24/207008624.db2.gz	POTPKSJWZMREAR-UHFFFAOYSA-N	-1	2	364.586	5.473	50	0		FKAALM
O=C([O-])c1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1	ZINC000023425400	211389573	/nfs/dbraw/zinc/38/95/73/211389573.db2.gz	GCIXRJJXHZPDFP-ZZXKWVIFSA-N	-1	2	360.196	5.116	50	0		FKAALM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@](=O)([O-])O	ZINC000033956040	571067387	/nfs/dbraw/zinc/06/73/87/571067387.db2.gz	VHUBNUSXPIJYSG-QIRCYJPOSA-N	-1	2	370.470	6.241	50	0	in-vitro	FKAALM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O	ZINC000033956040	571067385	/nfs/dbraw/zinc/06/73/85/571067385.db2.gz	VHUBNUSXPIJYSG-QIRCYJPOSA-N	-1	2	370.470	6.241	50	0	in-vitro	FKAALM
CCCCC/C=C\C/C=C\C/C=C\CCCCCC(C(=O)[O-])C(=O)O	ZINC000071770228	571166310	/nfs/dbraw/zinc/16/63/10/571166310.db2.gz	SCMYUYANORCRFG-QNEBEIHSSA-N	-1	2	350.499	5.751	50	0		FKAALM