smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCc1cc(=O)[n-]c(-c2ccc3c(c2)OCCO3)n1 ZINC000217788832 257131616 /nfs/dbraw/zinc/13/16/16/257131616.db2.gz KSAQHIIFELJDDR-UHFFFAOYSA-N -1 3 302.330 2.199 40 70 DEIBHM