0 B5R0.5 C[C@H](N)C(N)=O 094668 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 C=NN(C)C 062220 [1,0,0,0,0,0|3,0,0]=4 2 B4R0.1 CNN(C)C 062215 [1,0,0,0,0,0|3,0,0]=4 3 B4R0.1 O=CC(Cl)Cl 103095 [1,0,0,0,0,0|2,0,0]=3 4 B4R0.1 [2H]OC([2H])=O 102711 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 [C-]#[N+]C(C)C 480961 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.3 C=CC(C)C(=O)O 103612 [0,1,0,0,0,0|0,0,1]=2 7 B6R0.3 COC(=O)[C@@H](C)Br 097700 [0,1,0,0,0,0|1,0,0]=2 8 B6R0.3 O=C(O)C(=O)CF 104062 [0,1,0,0,0,0|1,0,1]=3 9 B6R0.7 CC(C)(Br)C(=O)Cl 102664 [0,1,0,0,0,0|1,0,0]=2 10 B6R0.7 CC(F)(Br)C(=O)O 075681 [0,1,0,0,0,0|1,0,0]=2 11 B6R0.7 O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.7 O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.7 O=C(O)C(F)(F)F 001271 [0,1,0,0,0,0|2,0,0]=3 14 B3R0.1 C#CCC 009072 [2,0,0,0,0,0|1,0,1]=4 15 B3R0.1 C=CC=O 103755 [2,0,0,0,0,0|0,0,2]=4 16 B3R0.1 O=CCBr 105198 [2,0,0,0,0,0|1,0,0]=3 17 B3R0.2 C[AlH3](C)C 098855 [2,0,0,0,0,0|1,0,1]=4 18 B3R0.2 O=[N+]([O-])O 102497 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 CCCS(=O)[O-] 035598 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.1 C\C=N\N(C)C 101274 [1,1,0,0,0,0|2,0,0]=4 21 B5R0.1 NC(=O)NCO 101312 [1,1,0,0,0,0|2,0,0]=4 22 B5R0.1 O=C(O)\C=C\Cl 180014 [1,1,0,0,0,0|0,0,2]=4 23 B5R0.4 CC(C)(Br)C#N 102470 [1,1,0,0,0,0|1,0,1]=4 24 B7R0.2 CNC(=O)CC(C)C 103448 [0,1,0,0,0,1|1,0,0]=3 25 B7R0.9 CC(C)NS(=O)(=O)Cl 075080 [0,1,0,0,0,1|1,0,1]=4 26 B7R0.16 CC(C)C(Br)C(=O)Cl 477377 [0,1,0,0,0,1|1,0,0]=3 27 B7R0.16 CC(C)[C@@H](Br)C(=O)O 209858 [0,1,0,0,0,1|0,0,0]=2 28 B7R0.5 CC(C)C(C)N=C=O 097760 [0,2,0,0,0,0|1,0,1]=4 29 B7R0.10 COC(=O)C(Cl)C=O 070635 [0,2,0,0,0,0|1,0,1]=4 30 B7R0.13 CC(C)(CBr)C(=O)Cl 102665 [0,2,0,0,0,0|1,0,0]=3 31 B7R0.13 CC[C@@](C)(N)C(=O)O 048166 [0,2,0,0,0,0|0,0,0]=2 32 B5R1.3 SCC1CC1 099822 [1,0,0,1,0,0|0,1,1]=4 33 B5R1.3 [C-]#[N+]C1CC1 021033 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.2 CC1COC(=O)O1 102084 [0,0,0,1,0,1|0,0,0]=2 35 B7R1.12 O=C(O)[C@H]1C[C@@H]1F 037362 [0,0,0,1,0,1|1,0,0]=3 36 B7R1.20 N=C(N)NC1CC1 311609 [0,0,0,1,0,1|2,0,0]=4 37 B7R1.4 CN1CCCC1=O 105571 [0,1,0,1,0,0|2,0,0]=4