smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C12CNCC1C[NH2+]C2 ZINC000065409467 436659686 /nfs/dbraw/zinc/65/96/86/436659686.db2.gz RQCBTQFKBBYZFR-UHFFFAOYSA-N 2 3 342.487 0.824 50 0 ECAAHP