0 B4R0.1 N#CC(F)I 038351 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 [13CH](=O)N(C)C 105188 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.1 N[13CH2][13CH2]O 105350 [1,0,0,0,0,0|0,0,0]=1 3 B3R0.1 [C-]#[N+]CC 433365 [1,0,0,0,0,0|2,0,0]=3 4 B3R0.2 C(F)(F)F 003327 [1,0,0,0,0,0|3,0,0]=4 5 B3R0.2 CC(=O)O 035907 [1,0,0,0,0,0|1,0,1]=3 6 B3R0.2 CC(=O)O 044721 [1,0,0,0,0,0|1,0,1]=3 7 B3R0.2 CC(C)=O 050332 [1,0,0,0,0,0|0,0,2]=3 8 B3R0.2 O=C(O)O 094746 [1,0,0,0,0,0|2,0,1]=4 9 B3R0.2 O=C(O)O 105338 [1,0,0,0,0,0|2,0,1]=4 10 B3R0.2 [2H]C(=O)O 105268 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CNCC(F)F 436159 [0,1,0,0,0,0|2,0,0]=3 12 B5R0.1 NNCC(F)F 094029 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.3 CC(CCl)CCl 098443 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.3 CCC(S)CC 105148 [0,1,0,0,0,0|1,1,0]=3 15 B5R0.3 CNC(=O)NN 237741 [0,1,0,0,0,0|1,0,2]=4 16 B5R0.4 CC(C)(C)CBr 403118 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.4 CC(C)(F)C#N 062795 [0,1,0,0,0,0|1,0,2]=4 18 B5R0.4 CC(C)(F)CBr 386871 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.4 CC(C)(F)CO 104410 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.4 CC(C)(N)C#N 030869 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.4 CC(C)(N)C#N 078649 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.4 COC(C)(C)C 044713 [0,1,0,0,0,0|3,0,0]=4 23 B5R0.4 COC(C)(C)C 106403 [0,1,0,0,0,0|3,0,0]=4 24 B2R0.1 C[13CH2]I 105184 [2,0,0,0,0,0|1,0,0]=3 25 B2R0.1 ClCCl 035912 [2,0,0,0,0,0|2,0,0]=4 26 B2R0.1 O=CO 080324 [2,0,0,0,0,0|1,0,1]=4 27 B2R0.1 [13CH3][13CH2]I 105187 [2,0,0,0,0,0|1,0,0]=3 28 B4R0.2 CCN=C=O 386377 [1,1,0,0,0,0|1,0,1]=4 29 B4R0.2 COCC=O 105128 [1,1,0,0,0,0|1,0,1]=4 30 B4R0.2 CSCCBr 472152 [1,1,0,0,0,0|1,0,0]=3 31 B4R0.3 CC(F)(F)I 105382 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.1 COCC(C)CN 105383 [0,2,0,0,0,0|0,0,0]=2 33 B6R0.2 CC(C)NC(C)C 005001 [0,2,0,0,0,0|2,0,0]=4 34 B6R0.3 CCC(C)C(C)N 214338 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.3 CCC(C)S(=O)[O-] 070719 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.3 CCC(N)C(C)C 214340 [0,2,0,0,0,0|1,0,0]=3 37 B6R0.3 CNC(=O)[C@H](C)N 105085 [0,2,0,0,0,0|0,0,2]=4 38 B6R0.3 COC(C)C(=O)O 219524 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.4 CC(C)CCCBr 113000 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.4 O=CNCC(=O)O 242940 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.8 COC(C)(C)CBr 468927 [0,2,0,0,0,0|1,0,0]=3 42 B6R1.6 ON=C1CCC1 069003 [0,1,0,1,0,0|1,0,1]=4 43 B6R1.7 OCC1(Br)CC1 105295 [0,1,0,1,0,0|2,0,0]=4