smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[PH+](CCC[NH3+])C(C)C 86016315 343649487 /nfs/dbraw/zinc/64/94/87/343649487.db2.gz RVKSUPMPCDJZRG-UHFFFAOYSA-N 2 0 175.256 2.634 50 0 AFAARP C#[N+]c1ccc([N+]#C)cc1 95686594 351671830 /nfs/dbraw/zinc/67/18/30/351671830.db2.gz IXACFSRTSHAQIX-UHFFFAOYSA-N 2 0 128.134 2.788 50 0 AFAARP