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)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)c(C=O)c(O)c(O)c1[O-] ZINC000002584002 571683471 /nfs/dbraw/zinc/68/34/71/571683471.db2.gz XQTQSUUULVXJPG-JTCWOHKRSA-N -1 1 372.505 5.886 10 10 endogenous,in-man FKCEMM O=S(=O)([N-]c1ccc(/N=N/c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000017887602 570767155 /nfs/dbraw/zinc/76/71/55/570767155.db2.gz KXTCFEVQYPBFMS-QZQOTICOSA-N -1 1 371.849 5.556 10 10 FKCEMM