smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3ccc(O)c(OC)c3)cc2)ccc1[O-] ZINC000028913201 563069211 /nfs/dbraw/zinc/06/92/11/563069211.db2.gz SUIMYYLDVNIFIK-MKICQXMISA-N -1 3 430.456 4.907 20 30 IJEDHM