"ALOGPS" . "InChIKey=WSEQXVZVJXJVFP-UHFFFAOYSA-N" . "InChIKey=DQHJYYALMHIEAH-UHFFFAOYSA-N" . "4" . "(2S,3S)-1-amino-2-methylbutane-2,3-diol" . "capravirine" . "2-{2-[(2-ethoxy-2-oxoethyl)sulfanyl]ethyl}-1,3-thiazolidine-4-carboxylic acid" . "20.23" . "ChemAxon" . "[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C1=O" . "1" . "3" . "0" . "1.78" . "217.077264041" . "InChIKey=UIEATEWHFDRYRU-UHFFFAOYSA-N" . "[H]C1CC[C@]2(C)[C@]([H])(CC[C@@]2([H])\\C1=C\\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\\C=C\\[C@H](C)C(O)(C)C" . "1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)(phenyl)methyl]piperazine" .