smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCN(CCCC[NH2+]CCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1 ZINC000014712793 291748782 /nfs/dbraw/zinc/74/87/82/291748782.db2.gz IWRAOCFRRTWUDF-UHFFFAOYSA-N 2 0 530.666 2.128 50 10 endogenous,in-man KECARP