smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2ccc(CNC(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](C[N@H+]3Cc3ccccc3)[C@@H]45)cc2)CC1 ZINC000257180702 1066373688 /nfs/dbraw/zinc/37/36/88/1066373688.db2.gz DVGWAJAKHKKTNM-OTLKBGDTSA-N 1 3 543.800 4.600 50 10 KJCAHO CN1CCN(c2ccc(CNC(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](C[N@@H+]3Cc3ccccc3)[C@@H]45)cc2)CC1 ZINC000257180702 1066373673 /nfs/dbraw/zinc/37/36/73/1066373673.db2.gz DVGWAJAKHKKTNM-OTLKBGDTSA-N 1 3 543.800 4.600 50 10 KJCAHO