smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(Cc2c(c(O)c4c(c2[O-])C(=O)C=C(OC)C4=O)O1)C[C@@H]3O	ZINC000101112654	562809288	/nfs/dbraw/zinc/80/92/88/562809288.db2.gz	VGXVKHPGBHVPMW-GWQKEKGPSA-N	-1	3	538.417	1.753	10	30		KDEEHM
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@]1(Cc2c(c(O)c4c(c2[O-])C(=O)C=C(OC)C4=O)O1)C[C@@H]3O	ZINC000101112655	562809285	/nfs/dbraw/zinc/80/92/85/562809285.db2.gz	VGXVKHPGBHVPMW-QDXKXIGTSA-N	-1	3	538.417	1.753	10	30		KDEEHM
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(Cc2c(c(O)c4c(c2[O-])C(=O)C=C(OC)C4=O)O1)C[C@H]3O	ZINC000101112656	562809264	/nfs/dbraw/zinc/80/92/64/562809264.db2.gz	VGXVKHPGBHVPMW-MZHQLVBMSA-N	-1	3	538.417	1.753	10	30		KDEEHM
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@]1(Cc2c(c(O)c4c(c2[O-])C(=O)C=C(OC)C4=O)O1)C[C@H]3O	ZINC000101112657	562809283	/nfs/dbraw/zinc/80/92/83/562809283.db2.gz	VGXVKHPGBHVPMW-RYZVSIALSA-N	-1	3	538.417	1.753	10	30		KDEEHM
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(Oc2c(c([O-])c4c(c2O)C(=O)C(OC)=CC4=O)[C@H]1O[C@@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1)[C@H](O)C3	ZINC000195425264	562871846	/nfs/dbraw/zinc/87/18/46/562871846.db2.gz	MLFZQFHGXSVTGX-KZEJDVERSA-N	-1	3	698.586	1.259	10	30		KDEEHM