smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@+]1(CCCCBr)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000252462086 717165572 /nfs/dbraw/zinc/16/55/72/717165572.db2.gz PQDPREKWAAZKID-JDPWZNKLSA-N 1 0 425.387 3.621 50 50 biogenic IHGARO C[N@+]1(CCCCBr)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000252462085 717165612 /nfs/dbraw/zinc/16/56/12/717165612.db2.gz PQDPREKWAAZKID-IFUXXNRASA-N 1 0 425.387 3.621 50 50 biogenic IHGARO C[N@@+]1(CCCCBr)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 ZINC000252462087 717165528 /nfs/dbraw/zinc/16/55/28/717165528.db2.gz PQDPREKWAAZKID-WNPAHNIUSA-N 1 0 425.387 3.621 50 50 biogenic IHGARO C[N@@+]1(CCCCBr)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000252462088 717165617 /nfs/dbraw/zinc/16/56/17/717165617.db2.gz PQDPREKWAAZKID-XUSKPFNFSA-N 1 0 425.387 3.621 50 50 biogenic IHGARO