Molecular descriptor200C100CRadical descriptorH-lose reaction pairD-lose reaction pair
*note symmetry number= (molecular symmetry number)*(internal rotation symmetry)C structurebeta/beta0beta_100#moleculemolecule
111112
10.2686276220.162417944278
10.0715835130.0263795883910
20.970.9207010184911
20.2598913150.14953836651213
20.0692554740.02428771461214
31171516
30.2607569470.15408809681517
41191819
40.2619506820.154970235101820
40.2533452910.146594303111821
511122223
50.2618147820.154903152132224
50.2546232840.147575513142225
611152226
60.2623420920.15522821216
60.2468825990.140251422
711
70.2614362650.154760051
70.2536477160.147010738
70.2539725070.147621863
811
80.2619263440.154901036
80.2476703590.140887476
80.2543757590.147321832
80.2612106470.154410308
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