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+](C)([NH3+])CCBr 2019084 717093939 /nfs/dbraw/zinc/09/39/39/717093939.db2.gz VBYQCLJVDURWBH-UHFFFAOYSA-N 2 0 168.058 0.331 10 50 ACGERP C[N+](C)([NH3+])CCl 169411070 717156520 /nfs/dbraw/zinc/15/65/20/717156520.db2.gz ZZRARZZWDVZBBX-UHFFFAOYSA-N 2 0 109.580 0.133 10 50 ACGERP