smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCO)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000012532258 553386634 /nfs/dbraw/zinc/38/66/34/553386634.db2.gz JLJROIXJDZGXLO-BUVRLJJBSA-N -2 1 513.532 2.968 40 30 KFEBML Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2cc(Br)c([O-])c(Br)c2O)cc1 ZINC000408721791 1059565639 /nfs/dbraw/zinc/56/56/39/1059565639.db2.gz YOZMHBYQAKXZBH-YXSASFKJSA-N -2 1 550.171 2.986 40 30 KFEBML