smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#C[C@](C)([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351455 1068431758 /nfs/dbraw/zinc/43/17/58/1068431758.db2.gz HPEXHHFSZQQPGA-OSAWLIQMSA-N 2 1 436.557 -1.432 20 30 IAEDMP