0 B11R1.40 CCC(C)SC1=CC=CC=C1 094611 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 048350 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CCCCC1=CC=CC=N1 180367 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.17 N#CCCC1=CC=NC=C1 024695 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.18 CN(C)CC1=CC=CN=C1 024691 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 024109 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 099861 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.49 CNC(=O)CC1=CC=C(F)C=C1 102257 [0,1,0,0,0,0|1,0,1]=3 9 B12R1.50 CCC(C)OC1=CC=CC(Br)=C1 097851 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.50 CNC(=O)CC1=CC(Cl)=CC=C1 105123 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 505690 [0,1,0,0,0,0|1,0,1]=3 12 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 181847 [0,0,0,1,0,0|1,0,2]=4 13 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 182343 [0,0,0,1,0,0|1,0,2]=4 14 B12R2.18 CN1C(=S)SC2=CC=CC=C21 231343 [0,0,0,1,0,0|2,0,1]=4 15 B12R2.24 CC1COC2=CC=CC=C2N1 068859 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 050608 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [0,0,0,0,1,0|2,0,0]=3 18 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [0,0,0,0,1,0|1,0,2]=4 19 B10R1.15 OC(CF)c1ccccc1 195755 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [0,0,0,0,1,0|0,0,2]=3 21 B12R1.27 CCC(C)SCC1=CC=CC=C1 094712 [0,0,0,0,0,1|1,0,0]=2 22 B12R1.27 CNC(=O)COC1=CC=CC=C1 105775 [0,0,0,0,0,1|1,0,1]=3 23 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.8 CCOC1=CC=CN=C1 180053 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.8 CNCC1=NC=CC=N1 076808 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.1 CCCCC1=CN=C(C)C=C1 032636 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.1 CCCSC1=CC=C(Cl)C=C1 094923 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.1 COCOC1=CC=C(Br)C=C1 235426 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.1 OCCCC1=CC=C(O)C=C1 209107 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.16 CCCC(C)C1=NC=CC=C1 102203 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.17 CCCSC1=C(Cl)C=CC=C1 094634 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.17 COCCC1=[N+]([O-])C=CC=C1 180207 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.24 CCCCC1=NC(F)=CC=C1 094605 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.24 CCCSC1=CC(C)=CC=C1 094817 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.24 CCCSC1=CC(Cl)=CC=C1 095027 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.24 CCCSC1=CC=CC(Br)=C1 094806 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.24 COCCC1=NC=CC(C)=C1 180192 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.28 CCCSCC1=CC=CC=C1 094802 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.28 COCCOC1=CC=CC=C1 336003 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.91 CC(C)SCC1=CC=CC=C1 095090 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.91 CC(O)CCC1=CC=NC=C1 105817 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [1,1,0,0,0,0|0,0,2]=4 44 B11R1.20 CC(C)OC1=CC=C(F)C=C1 098420 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.36 CC(C)C(C)C1=NC=CC=C1 180184 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 209966 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 209970 [1,1,0,0,0,0|0,0,0]=2 48 B11R1.157 CC1=CC=CC(SC(C)C)=C1 094880 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.157 NC(=O)CC1=CC(F)=CC=C1 102220 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.42 CCCC(C)SCC1=CC=CC=C1 094720 [0,1,0,0,0,1|1,0,0]=3 51 B11R2.4 CC1CC1C2=CC=NC=C2 032688 [1,0,0,1,0,0|2,0,0]=4 52 B11R2.40 CC1(C2=CC=NC=C2)CC1 032665 [0,0,0,1,1,0|2,0,0]=4 53 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 104908 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.6 CC(C)[N+]1=CC=CC=C1 184885 [1,0,0,0,1,0|1,0,0]=3