smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000038692004 213221038 /nfs/dbraw/zinc/22/10/38/213221038.db2.gz AUKMFZCZQNIMED-QZTJIDSGSA-N 2 1 326.440 3.288 1 10 EGCFMP