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+](C)(C)CC(=O)OC(=O)[C@@H]1CCCC[NH2+]1 ZINC000205206002 717159799 /nfs/dbraw/zinc/15/97/99/717159799.db2.gz AHIUHSVMCFVWKS-VIFPVBQESA-N 2 2 229.300 -0.096 10 50 BBGELP C[N+](C)(C)CC(=O)OC(=O)[C@H]1CCCC[NH2+]1 ZINC000205206014 717159866 /nfs/dbraw/zinc/15/98/66/717159866.db2.gz AHIUHSVMCFVWKS-SECBINFHSA-N 2 2 229.300 -0.096 10 50 BBGELP