smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCc2n[nH]cc2C1 217862482 344407192 /nfs/dbraw/zinc/40/71/92/344407192.db2.gz WLTJEAUPWVPLPA-UHFFFAOYSA-N 0 0 150.225 1.925 30 70 ADICRN