smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000070665256	553596083	/nfs/dbraw/zinc/59/60/83/553596083.db2.gz	MVWBYZZUZQBMFZ-FPDJOHNTSA-N	-1	1	531.470	-0.263	50	10	biogenic	KBCAMM
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000070665256	553596082	/nfs/dbraw/zinc/59/60/82/553596082.db2.gz	MVWBYZZUZQBMFZ-FPDJOHNTSA-N	-1	1	531.470	-0.263	50	10	biogenic	KBCAMM
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000070665261	553596075	/nfs/dbraw/zinc/59/60/75/553596075.db2.gz	MVWBYZZUZQBMFZ-LEKAPFLCSA-N	-1	1	531.470	-0.263	50	10	biogenic	KBCAMM
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000070665261	553596074	/nfs/dbraw/zinc/59/60/74/553596074.db2.gz	MVWBYZZUZQBMFZ-LEKAPFLCSA-N	-1	1	531.470	-0.263	50	10	biogenic	KBCAMM
O=c1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)coc2c(CN3CCOCC3)c([O-])c(CN3CCOCC3)c(O)c12	ZINC000070672273	553601777	/nfs/dbraw/zinc/60/17/77/553601777.db2.gz	VFUPDGRCPOEQAB-QVBFNDMOSA-N	-1	1	630.647	-0.286	50	10	biogenic	KBCAMM
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000105364382	571404369	/nfs/dbraw/zinc/40/43/69/571404369.db2.gz	MVWBYZZUZQBMFZ-FYEJASGKSA-N	-1	1	531.470	-0.263	50	10	biogenic	KBCAMM
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000105364382	571404367	/nfs/dbraw/zinc/40/43/67/571404367.db2.gz	MVWBYZZUZQBMFZ-FYEJASGKSA-N	-1	1	531.470	-0.263	50	10	biogenic	KBCAMM
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000229987743	572177276	/nfs/dbraw/zinc/17/72/76/572177276.db2.gz	MVWBYZZUZQBMFZ-PPWDSJTCSA-N	-1	1	531.470	-0.263	50	10		KBCAMM
CCOC(=O)CNC(=O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000229987743	572177274	/nfs/dbraw/zinc/17/72/74/572177274.db2.gz	MVWBYZZUZQBMFZ-PPWDSJTCSA-N	-1	1	531.470	-0.263	50	10		KBCAMM
O=c1c(-c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCOCC3)c([O-])c(CN3CCOCC3)c(O)c12	ZINC000253499730	572293766	/nfs/dbraw/zinc/29/37/66/572293766.db2.gz	VFUPDGRCPOEQAB-IOHUCTESSA-N	-1	1	630.647	-0.286	50	10		KBCAMM
O=c1c(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCOCC3)c([O-])c(CN3CCOCC3)c(O)c12	ZINC000253499732	572293717	/nfs/dbraw/zinc/29/37/17/572293717.db2.gz	VFUPDGRCPOEQAB-UKEBATRDSA-N	-1	1	630.647	-0.286	50	10		KBCAMM