smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[PH+](C)CCC[PH+](C)C 2560608 168289900 /nfs/dbraw/zinc/28/99/00/168289900.db2.gz GZDVNUHKYJNVNT-UHFFFAOYSA-N 2 0 164.169 2.860 40 0 AFABRP C#[N+]c1ccc([N+]#C)c(OC)c1 104507045 351714128 /nfs/dbraw/zinc/71/41/28/351714128.db2.gz OTVUZNGCQZWDJS-UHFFFAOYSA-N 2 0 158.160 2.797 40 0 AFABRP