smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])c(CN2CCCC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000079189965 569429165 /nfs/dbraw/zinc/42/91/65/569429165.db2.gz GBGVNTVOLLKVBG-HBPTYVBASA-N -1 3 411.407 -0.605 50 10 biogenic HBCAHM COc1c([O-])c(CN2CCCC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O ZINC000170622015 569248492 /nfs/dbraw/zinc/24/84/92/569248492.db2.gz GBGVNTVOLLKVBG-UNTKAPMPSA-N -1 3 411.407 -0.605 50 10 HBCAHM COc1c([O-])c(CN2CCCC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O ZINC000170622016 569248542 /nfs/dbraw/zinc/24/85/42/569248542.db2.gz GBGVNTVOLLKVBG-LOENZJAQSA-N -1 3 411.407 -0.605 50 10 HBCAHM COc1c([O-])c(CN2CCCC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000170622017 569248591 /nfs/dbraw/zinc/24/85/91/569248591.db2.gz GBGVNTVOLLKVBG-OHDNAYAESA-N -1 3 411.407 -0.605 50 10 HBCAHM