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=Nc2ccc(O)cc2)ccc1OC(=O)C[C@H]1SC(=O)NC1=O ZINC000103653719 560843736 /nfs/dbraw/zinc/84/37/36/560843736.db2.gz XKZHTSIJARHMQG-OVEPSTSESA-N -2 2 400.412 2.799 50 30 HFEALL COc1cc(C=Nc2ccc(O)cc2)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O ZINC000103653723 560843712 /nfs/dbraw/zinc/84/37/12/560843712.db2.gz XKZHTSIJARHMQG-UWSDUSPXSA-N -2 2 400.412 2.799 50 30 HFEALL