0 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 BB_SC-06916 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 BB_SC-02505 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BB_SC-07129 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 BB_SC-06693 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.3 CN(C)C1=NC=C(C=O)C=N1 BB_SC-12402 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 CN(O)C1=CC=C(C=O)C=C1 BB_SC-03089 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 BB_SC-02991 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 BB_SC-09446 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.3 COC1=CC=C(C=O)C=C1 BB_NC-02206 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.3 COC1=CC=C(CN)C=C1 BB_NC-02172 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.3 COC1=CC=C(CO)C=C1 BB_NC-02176 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.3 COC1=CC=C(NN)C=C1 BB_SC-09378 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.3 CSC1=CC=C(C=O)C=C1 BB_SC-11238 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.3 N#CC1=CC=C(CCl)C=C1 BB_SC-03007 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.13 CC(C)C1=CC=C(N)C=C1 BB_SC-12018 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.13 CC(C)C1=CC=C(O)C=C1 BB_SC-12725 [1,0,0,0,0,0|0,0,1]=2 22 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BB_SC-11893 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 BB_SC-06472 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.6 CC(C)(C)C1=CC=C(C=O)C=C1 BB_SC-07015 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 BB_SC-02504 [0,1,0,0,0,0|1,0,1]=3 26 B12R1.113 CC(C)C1=CC=C(N=C=S)C=C1 BB_SC-01817 [0,1,0,0,0,0|0,1,1]=3 27 B12R1.113 CN(C)C1=CC=C(N=C=S)C=C1 BB_SC-01840 [0,1,0,0,0,0|1,1,1]=4 28 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 BB_SC-06874 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 BB_SC-06662 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 BB_SC-12556 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 BB_SC-06997 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.31 CC(C)N1C=C(C=O)C=N1 BB_SC-10453 [0,0,0,0,1,0|2,0,0]=3 33 B10R1.31 CC(C)N1C=CC(C=O)=C1 BB_SC-08150 [0,0,0,0,1,0|1,0,0]=2 34 B10R1.31 CN(C)C1=CC=C(C=O)S1 BB_SC-03404 [0,0,0,0,1,0|2,0,0]=3 35 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BB_NC-02438 [0,0,0,0,0,1|0,0,0]=1 36 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 BB_NC-02444 [0,0,0,0,0,1|1,0,1]=3 37 B9R1.1 CC1=CC=C(CCl)C=C1 BB_SC-06960 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.1 CCC1=CC=C(N)C=C1 BB_SC-07009 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.1 CNC1=CC=C(O)C=C1 BB_SC-07044 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.1 COC1=CC=C(S)C=C1 BB_SC-06511 [2,0,0,0,0,0|1,1,0]=4 41 B9R1.1 ClCC1=CC=C(Br)C=C1 BB_SC-04526 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 FC1=CC=C(CCl)C=C1 BB_SC-06883 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 NC1=CC=C(C=O)C=C1 BB_NC-02192 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.1 NCC1=CC=C(Cl)C=C1 BB_SC-04583 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 NCC1=CC=C(N)C=C1 BB_SC-08895 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 O=CC1=CC=C(F)C=C1 BB_SC-03254 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.1 O=CC1=CC=C(O)C=C1 BB_NC-02207 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.1 OCC1=CC=C(Cl)C=C1 BB_SC-06996 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 OCC1=CC=C(F)C=C1 BB_SC-06738 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.6 CN(C)C1=CC=NC=C1 BB_SC-07248 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.83 CCOC1=CC=C(C=O)C=C1 BB_SC-06983 [1,1,0,0,0,0|0,0,0]=2 55 B11R1.83 COC1=CC=C(CCCl)C=C1 BB_SC-07143 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.83 COC1=CC=C(CCN)C=C1 BB_NC-02181 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.83 COC1=CC=C(CCO)C=C1 BB_SC-09388 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 BB_NC-00676 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.83 O=CC1=CC=C(CCBr)C=C1 BB_SC-09762 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.279 COC1=C(O)C=C(C=O)C=C1 BB_NC-02245 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 BB_SC-00452 [1,1,0,0,0,0|0,0,1]=3 62 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB_NC-01337 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 BB_SC-06774 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 BB_NC-02806 [1,1,0,0,0,0|0,0,1]=3 65 B11R1.166 CN(C)C1=C(N)C=C(Cl)C=C1 BB_SC-02758 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.45 CC(C)(C)N1C=CC(C=O)=C1 BB_SC-08681 [0,1,0,0,1,0|1,0,0]=3 67 B11R1.175 CC(=O)C1=CN(C(C)C)N=C1 BB_SC-10381 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.175 CC(C)C1=NNC(C(=O)O)=C1 BB_SC-10584 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 BB_SC-10452 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.36 COC1=CC=C(C(N)C(C)C)C=C1 BB_NC-02843 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 BB_SC-06953 [0,1,0,0,0,1|1,0,1]=4 72 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 BB_SC-02737 [0,1,0,0,0,1|0,0,0]=2 73 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=N1 BB_NC-02868 [0,1,0,0,0,1|1,0,0]=3 74 B13R1.39 CCN(CC)C1=CC=C(C=O)C=C1 BB_SC-06757 [0,2,0,0,0,0|1,0,0]=3 75 B13R1.537 CC(C)C1=CC=C(C(=O)CCl)C=C1 BB_SC-05742 [0,2,0,0,0,0|0,0,0]=2 76 B13R1.120 CC(C)C1=NC=C(C(=O)O)C(=O)N1 BB_NC-02665 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.43 N1C(C=O)=CC=C1CC(C)C BB_SC-10625 [0,0,1,1,0,0|1,0,1]=4 78 B11R1.159 CC1=CC=CC(C(C)C)=C1N BB_SC-12019 [0,0,1,1,0,0|2,0,0]=4 79 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BB_SC-10569 [1,0,0,0,0,1|1,0,0]=3 80 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 BB_NC-02439 [0,0,0,0,0,2|0,0,0]=2 81 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 BB_NC-02445 [0,0,0,0,0,2|1,0,1]=4