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)=CCc1c(O)c([O-])cc2oc3c4c(cc(=O)c-3c([O-])c21)O[C@H](C)C4(C)C ZINC000028707606 207346723 /nfs/dbraw/zinc/34/67/23/207346723.db2.gz GIEMQAXHAKGAAH-LLVKDONJSA-N -2 1 396.439 4.630 1 10 GJCFML Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1[O-] ZINC000017748317 221385160 /nfs/dbraw/zinc/38/51/60/221385160.db2.gz MMXLXKHLGDUTHT-KYAFNBKBSA-N -2 1 391.456 4.699 1 10 GJCFML