smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOc1cc2[nH+]ccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C ZINC000147123613 556688533 /nfs/dbraw/zinc/68/85/33/556688533.db2.gz QODPGRHWJBWTJC-UHFFFAOYSA-N 1 1 432.546 3.916 30 0 IHACMO