smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCNc1ccc2c(C[NH2+]CCO)nn3c2c1c(=O)c1c(O)cccc13 ZINC000101168099 211395805 /nfs/dbraw/zinc/39/58/05/211395805.db2.gz NQVMVXXCOWXJMD-UHFFFAOYSA-N 2 0 381.436 0.987 1 5 GCBFRP