smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC[C@H]([NH3+])c1nnc([C@H](CCC(=O)[O-])NC(=O)C2CC[NH2+]CC2)o1 ZINC000013478083 210063511 /nfs/dbraw/zinc/06/35/11/210063511.db2.gz ARXLHJZBGROADR-STQMWFEESA-N 2 1 382.465 0.220 3 0 GCAFMP