smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CI)CC2CC(C1)C[N+](C)(CI)C2 ZINC000005431095 717099642 /nfs/dbraw/zinc/09/96/42/717099642.db2.gz SRABFKLGSVQAPY-UHFFFAOYSA-N 2 0 436.119 2.314 40 50 IEGBRP