0 B3R0.2 CB(O)O SPC-j988 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#C[C@H](C)O SPC-s670 [0,1,0,0,0,0|1,0,2]=4 2 B4R0.1 C#C[C@H](C)O SPC-t138 [0,1,0,0,0,0|1,0,2]=4 3 B4R0.1 CC(=O)CN SPC-t886 [0,1,0,0,0,0|1,0,0]=2 4 B4R0.1 FC(F)CBr SPC-p180 [0,1,0,0,0,0|3,0,0]=4 5 B4R0.1 NC(=O)CI SPC-s873 [0,1,0,0,0,0|2,0,0]=3 6 B4R0.3 C[N+](C)(C)C SPC-w001 [0,1,0,0,0,0|2,0,0]=3 7 B4R1.2 OC1CC1 SPC-h306 [0,0,0,1,0,0|1,0,1]=3 8 B3R0.1 N#CCF SPC-v280 [1,1,0,0,0,0|2,0,0]=4 9 B5R0.1 CCC[C@H](C)N SPC-k309 [0,2,0,0,0,0|2,0,0]=4 10 B5R0.1 C[C@@H](N)CCO SPC-g658 [0,2,0,0,0,0|2,0,0]=4 11 B5R0.1 C[C@H](N)CCO SPC-n760 [0,2,0,0,0,0|2,0,0]=4 12 B5R0.3 C=C(CCl)CCl SPC-g310 [0,2,0,0,0,0|2,0,0]=4 13 B5R0.3 C=C(CO)CO SPC-g493 [0,2,0,0,0,0|2,0,0]=4 14 B5R0.3 NC[C@@H](F)CO SPC-s654 [0,2,0,0,0,0|2,0,0]=4 15 B5R0.3 NC[C@H](F)CF SPC-w136 [0,2,0,0,0,0|2,0,0]=4 16 B5R0.3 NC[C@H](F)CO SPC-s667 [0,2,0,0,0,0|2,0,0]=4 17 B5R0.4 C=C[Si](C)(C)C SPC-t167 [0,2,0,0,0,0|2,0,0]=4 18 B5R0.4 CC(C)(F)CO SPC-t593 [0,2,0,0,0,0|1,0,1]=4 19 B5R0.4 CC(C)(O)CN SPC-g498 [0,2,0,0,0,0|1,0,1]=4 20 B5R0.4 CC(F)(F)CN SPC-w137 [0,2,0,0,0,0|2,0,0]=4 21 B5R0.4 CNS(N)(=O)=O SPC-u184 [0,2,0,0,0,0|1,0,1]=4 22 B5R0.4 [C-]#[N+]C(C)(C)C SPC-m995 [0,2,0,0,0,0|2,0,0]=4 23 B5R1.2 BrC1CCC1 SPC-p925 [0,1,0,1,0,0|2,0,0]=4 24 B5R1.2 BrC1CNC1 SPC-h907 [0,1,0,1,0,0|2,0,0]=4 25 B5R1.2 BrC1CNC1 SPC-h907 [0,1,0,1,0,0|2,0,0]=4 26 B5R1.2 BrC1COC1 SPC-g331 [0,1,0,1,0,0|2,0,0]=4 27 B5R1.2 CC1CNC1 SPC-h149 [0,1,0,1,0,0|2,0,0]=4 28 B5R1.2 C[C@H]1CCN1 SPC-i601 [0,1,0,1,0,0|2,0,0]=4 29 B5R1.2 ClC1CNC1 SPC-h126 [0,1,0,1,0,0|2,0,0]=4 30 B5R1.2 ClC1COC1 SPC-s928 [0,1,0,1,0,0|2,0,0]=4 31 B5R1.2 FC1CNC1 SPC-g878 [0,1,0,1,0,0|2,0,0]=4 32 B5R1.2 IC1CCC1 SPC-t191 [0,1,0,1,0,0|2,0,0]=4 33 B5R1.2 IC1COC1 SPC-a300 [0,1,0,1,0,0|2,0,0]=4 34 B5R1.2 NC1CCC1 SPC-a094 [0,1,0,1,0,0|2,0,0]=4 35 B5R1.2 NC1CNC1 SPC-h131 [0,1,0,1,0,0|2,0,0]=4 36 B5R1.2 NC1COC1 SPC-a019 [0,1,0,1,0,0|2,0,0]=4 37 B5R1.2 NC1CSC1 SPC-i072 [0,1,0,1,0,0|2,0,0]=4 38 B5R1.2 O=C1CCN1 SPC-t120 [0,1,0,1,0,0|1,0,0]=3 39 B5R1.2 O=C1CNC1 SPC-h722 [0,1,0,1,0,0|1,0,0]=3 40 B5R1.2 O=C1CSC1 SPC-a100 [0,1,0,1,0,0|1,0,0]=3 41 B5R1.2 OC1CNC1 SPC-a234 [0,1,0,1,0,0|1,0,1]=4 42 B5R1.2 OC1COC1 SPC-a002 [0,1,0,1,0,0|1,0,1]=4 43 B5R1.2 OC1CSC1 SPC-t361 [0,1,0,1,0,0|1,0,1]=4 44 B5R1.2 SC1CNC1 SPC-i180 [0,1,0,1,0,0|1,1,0]=4 45 B5R1.2 SC1COC1 SPC-h701 [0,1,0,1,0,0|1,1,0]=4 46 B5R1.3 CNC1CC1 SPC-g900 [0,1,0,1,0,0|2,0,0]=4 47 B5R1.3 OC[C@H]1CO1 SPC-t630 [0,1,0,1,0,0|1,0,1]=4 48 B5R1.4 N[C@H]1C[C@@H]1N SPC-w109 [0,1,0,1,0,0|2,0,0]=4 49 B5R1.4 N[C@H]1C[C@H]1F SPC-v508 [0,1,0,1,0,0|2,0,0]=4 50 B5R1.4 N[C@H]1C[C@H]1N SPC-w110 [0,1,0,1,0,0|2,0,0]=4 51 B5R1.5 CC1(Br)CC1 SPC-m868 [0,1,0,1,0,0|2,0,0]=4 52 B5R1.5 CC1(C)CO1 SPC-p106 [0,1,0,1,0,0|1,0,1]=4 53 B5R1.5 CC1(N)CC1 SPC-q800 [0,1,0,1,0,0|2,0,0]=4 54 B5R1.5 CC1(O)CC1 SPC-m882 [0,1,0,1,0,0|1,0,1]=4