smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCC[NH3+])C(=O)[O-] ZINC000004899571 482532369 /nfs/dbraw/zinc/53/23/69/482532369.db2.gz SHMVFFURFKJDHA-SRVKXCTJSA-N 2 3 360.459 -2.415 40 0 FAABHP