smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)c2cccc(Br)c2)OCCO3)cc1 ZINC000004244691 194385885 /nfs/dbraw/zinc/38/58/85/194385885.db2.gz SCQXWMMSPPUKQM-UHFFFAOYSA-N 0 1 488.359 4.561 30 10 JJCCMN