smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(/C(=C/C#N)c2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000371695921 267033882 /nfs/dbraw/zinc/03/38/82/267033882.db2.gz ZJOYRFVQWKYOHV-UZHQLRPZSA-N 2 1 324.472 2.651 20 50 DFGDMP