smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(C[NH2+]CCC[NH+](CCCC)CCCC)cc1OC ZINC000013733649 210143564 /nfs/dbraw/zinc/14/35/64/210143564.db2.gz OXDLKYKUATZYHW-UHFFFAOYSA-N 2 1 362.558 4.642 10 30 FJEEMP