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@H](c1ccc(-c2ccc(O)c(O)c2)cc1)n1cc[nH+]c1 ZINC000043022941 174945412 /nfs/dbraw/zinc/94/54/12/174945412.db2.gz AJXMMNNBZYGUFM-MRXNPFEDSA-N 1 2 294.354 3.961 1 10 in-vivo CHCFLO