smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000216944845 241227014 /nfs/dbraw/zinc/22/70/14/241227014.db2.gz SNSSDHRQHNTZAY-UHFFFAOYSA-N 2 0 329.488 2.744 40 70 EFIBRP