smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](C[C@@H]1CCCO1)C1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1 ZINC000012248134 521226941 /nfs/dbraw/zinc/22/69/41/521226941.db2.gz BZSYNZNSNGJSBP-QHCPKHFHSA-N 1 1 437.584 4.417 10 10 IICEMO CC[N@@H+](C[C@H]1CCCO1)C1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1 ZINC000012248135 521269496 /nfs/dbraw/zinc/26/94/96/521269496.db2.gz BZSYNZNSNGJSBP-HSZRJFAPSA-N 1 1 437.584 4.417 10 10 IICEMO