0 B12R1.256 CC(C)C1=CC=C(C(=N)N)C=C1 BB01-8171 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 BB05-0761 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.256 CC(N)C1=CC=C(C(=O)O)C=C1 BB31-9136 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.256 CC(O)C1=CC=C([N+](=O)[O-])C=C1 BB57-4690 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.256 CN(C)C1=CC=C([N+](=O)[O-])C=C1 BB17-0745 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 BB12-3628 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 CC(C)C1=CC=C(NN)C=C1 BB56-1861 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.3 CNC1=CC=C(N(C)C)C=C1 BB32-2491 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.3 COC1=CC=C(C(=N)N)C=C1 BB58-0024 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.3 COC1=CC=C(C(C)N)C=C1 BB05-0764 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.3 COC1=NC=C(C(=O)O)C=C1 BB54-0843 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 BB12-1599 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 BB53-1358 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 BB12-2672 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB56-2538 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.120 CN(C)C1=C(N)C=C(C(=O)O)C=C1 BB12-4764 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.338 CC(Cl)C1=CC=C(C(C)(C)C)C=C1 BB57-2525 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 BB54-0481 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.537 CC(C)C1=CC=C(C(N)CO)C=C1 BB56-2163 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.537 CCC(=O)C1=CC=C(N(C)C)C=C1 BB20-0388 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.537 CCC(C)C1=CC=C(B(O)O)C=C1 BB55-6216 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 BB05-0918 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 BB55-1063 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.537 CCC(N)C1=CC=C(C(C)C)C=C1 BB55-1071 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.537 CN(C)C1=CC=C(\C(N)=N\O)C=C1 BB01-3936 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.537 COC(=O)C1=CC=C(C(=O)O)C=C1 BB01-7001 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.537 COC(C)C1=CC=C(B(O)O)C=C1 BB55-7849 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.537 NCC(=O)C1=CC=C([N+](=O)[O-])C=C1 BB26-0171 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.537 O=[N+]([O-])C1=CC=C(C(O)CO)C=C1 BB57-5957 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.175 CC(C)C1=CC(C(=O)Cl)=CS1 BB55-5697 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.175 CC(C)C1=CC(C(=O)Cl)=NO1 BB55-4168 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 BB55-0639 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.175 CC(C)C1=CC(C(=O)O)=NO1 BB55-3899 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.175 CC(C)C1=CSC(C(=O)O)=N1 BB32-0918 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 BB12-3273 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.175 CC(C)C1=NNC(C(=O)O)=C1 BB54-2325 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.175 CC(C)C1=NOC(C(=O)O)=C1 BB05-4152 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 BB05-2533 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 BB12-1474 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.175 CC(C)N1C=CC(C(=O)O)=N1 BB05-2502 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.175 CC(C)N1C=CC(C(=O)O)=N1 BB57-1283 [0,0,0,0,1,0|3,0,0]=4 41 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 BB12-1266 [0,0,0,0,0,1|1,0,1]=3 42 B13R1.585 CC(C)OC1=CC=C(C(=O)Cl)C=C1 BB55-5561 [0,0,0,0,0,1|1,0,0]=2 43 B13R1.585 CC(C)OC1=CC=C(C(N)=O)C=C1 BB17-0471 [0,0,0,0,0,1|1,0,0]=2 44 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 BB01-2509 [0,0,0,0,0,1|2,0,0]=3 45 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 BB55-8245 [0,0,0,0,0,1|2,0,0]=3 46 B10R1.3 C=CC1=CC=C(CC)C=C1 BB01-8156 [2,0,0,0,0,0|0,0,1]=3 47 B10R1.3 CCC1=CC=C(NN)C=C1 BB01-8045 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.3 CCC1=CC=C(NN)C=C1 BB56-0994 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.3 [C-]#[N+]C1=CC=C(CC)C=C1 BB56-1198 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.5 C#CC(=O)C1=CC=C(OC)C=C1 BB54-5201 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.5 CCC(=O)C1=CC=C(C#N)C=C1 BB54-5210 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.5 CCC(C)C1=CC=C(NN)C=C1 BB56-0337 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.5 CCC1=CC=C(C(=O)NN)N=C1 BB17-2220 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 BB12-3362 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 BB12-3364 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.5 COC(=O)C1=CC=C(CBr)N=C1 BB58-0697 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 BB12-2994 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 BB58-0692 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB26-0170 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.5 CSC1=CC=C(C(N)CO)C=C1 BB56-2165 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 BB56-2619 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.6 C[N+](C)(C)C1=CC=C(C=O)C=C1 BB58-2133 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.48 CC1=CC(N(C)C)=CC=C1C=O BB55-3567 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 BB54-4504 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 BB53-1298 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 BB53-1497 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 BB12-0014 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 BB01-6587 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.113 CC(=O)C1=CC=C(N=C=S)C=C1 BB53-1311 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.113 CC(C)C1=CC=C(CNN)C=C1 BB57-4033 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.113 CC(C)C1=CC=C(N=C=S)C=C1 BB53-1310 [1,1,0,0,0,0|0,1,1]=4 75 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 BB05-0917 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 BB57-2920 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 BB12-2998 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 BB58-2784 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.452 CN(C)C1=CC=C(C=O)C=C1Br BB58-0145 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 BB32-1283 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.111 CC(C)C1=CC(C(N)=O)=C(N)S1 BB55-1361 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.254 CC(C)(C)C1=CC=C(C(=O)O)O1 BB55-4877 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.359 CC(C)C1=CC(C(=O)NN)=CS1 BB55-2101 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.359 COC(=O)C1=CC(C(C)C)=NN1 BB05-4088 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.359 COC(=O)C1=CC(C(C)C)=NO1 BB57-3002 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.359 COC(=O)C1=NN(C(C)C)C=C1 BB05-3497 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.359 COC(=O)C1=NOC(C(C)C)=C1 BB05-3804 [0,1,0,0,1,0|2,0,0]=4 88 B14R1.124 CC(=O)C1=CC(F)=C(OC(C)C)C=C1 BB53-1299 [0,1,0,0,0,1|0,0,0]=2 89 B14R1.717 CC(C)OC1=CC=C(C(N)CO)C=C1 BB56-2095 [0,1,0,0,0,1|1,0,1]=4 90 B14R1.806 CC(C)(C)C1=CC=C(CC(=O)O)C=C1 BB56-0555 [0,1,0,0,0,1|1,0,0]=3 91 B14R1.806 CC(C)(C)C1=CC=C(CC(N)=S)C=C1 BB20-4659 [0,1,0,0,0,1|1,1,0]=4 92 B14R1.2879 CC(C)C1=CC=C(NC(=O)CBr)C=C1 BB17-0240 [0,1,0,0,0,1|0,0,0]=2 93 B14R1.2879 CCC(C)OC1=CC=C(C(=O)O)C=C1 BB57-3844 [0,1,0,0,0,1|1,0,0]=3 94 B14R1.2879 CCC(C)OC1=CC=C(C(N)=O)C=C1 BB17-2647 [0,1,0,0,0,1|1,0,0]=3 95 B14R1.2879 C\C(C=O)=C\C1=CC=C(C(C)C)C=C1 BB12-2872 [0,1,0,0,0,1|0,0,0]=2 96 B14R1.6402 CC(C)C1=CC=C(C(N)C(=O)O)C=C1 BB56-0263 [0,1,0,0,0,1|1,0,0]=3 97 B14R1.6402 CN(C)C(=N)C1=CC=C(C(=O)O)C=C1 BB54-2171 [0,1,0,0,0,1|2,0,0]=4 98 B14R1.6402 CN(C)C1=CC=C(C(N)C(=O)O)C=C1 BB56-0253 [0,1,0,0,0,1|2,0,0]=4 99 B14R1.307 CC(C)C1=CC=C(S(=O)(=O)NN)C=C1 BB55-2180 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.719 CC(C)(C)C1=CC=C(C(=O)NN)C=C1 BB12-3462 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.719 CC(CN)C1=CC=C(C(C)(C)C)C=C1 BB57-2526 [0,2,0,0,0,0|1,0,1]=4 102 B14R1.719 CCC(N)C1=CC=C(C(C)(C)C)C=C1 BB05-2729 [0,2,0,0,0,0|1,0,1]=4 103 B14R1.719 CS(=O)(=O)C1=CC=C(C(=O)CN)C=C1 BB31-8486 [0,2,0,0,0,0|2,0,0]=4 104 B14R1.395 CC\C(=N/O)C1=CC=C(C(C)C)C=C1 BB05-1464 [0,2,0,0,0,0|0,0,1]=3 105 B14R1.718 CCC(C)C1=CC=C(C(N)CC)C=C1 BB05-0762 [0,2,0,0,0,0|1,0,1]=4 106 B14R1.718 CCC(C)C1=CC=C(C(N)CC)C=C1 BB55-1058 [0,2,0,0,0,0|1,0,1]=4 107 B14R2.601 CC(C)C1=CC=C2NC(=O)CC2=C1 BB17-0214 [0,0,0,1,0,1|0,0,0]=2 108 B14R2.601 CC1CC2=CC(C(=O)O)=CC=C2O1 BB57-6404 [0,0,0,1,0,1|1,0,0]=3 109 B14R2.4349 O=C(O)C1=CC=C(C2CC2)N=C1O BB58-3322 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.9476 O=[N+]([O-])C1=CC=C(C2(O)CC2)C=C1 BB01-3761 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.31 CC(=O)C1=CC(CCl)=CS1 BB54-5393 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.31 CC(=O)C1=CC(CO)=CS1 BB54-2746 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.31 CC(C)N1C=C(C=O)C=N1 BB05-3796 [1,0,0,0,1,0|2,0,0]=4 114 B10R1.31 CCC1=CC(C(=O)Cl)=CS1 BB55-5695 [1,0,0,0,1,0|2,0,0]=4 115 B10R1.31 CCC1=CC(C(=O)O)=CS1 BB55-0637 [1,0,0,0,1,0|2,0,0]=4 116 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 BB55-5709 [1,0,0,0,1,0|2,0,0]=4 117 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB05-0002 [1,0,0,0,1,0|2,0,0]=4 118 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB55-0647 [1,0,0,0,1,0|2,0,0]=4 119 B10R1.31 CCN1C=C(C(C)=O)C=N1 BB54-1680 [1,0,0,0,1,0|2,0,0]=4 120 B10R1.31 CN(C)C1=CC=C(C=O)O1 BB17-1323 [1,0,0,0,1,0|2,0,0]=4 121 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 BB55-6334 [1,0,0,0,0,1|1,0,0]=3 122 B12R1.4 CN(C)CC1=CC=C(C=O)C=C1 BB55-8249 [1,0,0,0,0,1|1,0,0]=3 123 B14R1.419 CC(C)C1=CC=C(OCC(=O)Cl)C=C1 BB55-5590 [0,0,0,0,0,2|1,0,0]=3 124 B14R1.419 CC(C)COC1=CC=C(C(=O)Cl)C=C1 BB55-5565 [0,0,0,0,0,2|1,0,0]=3 125 B14R1.419 CC(C)COC1=CC=C(C(=O)O)C=C1 BB12-4734 [0,0,0,0,0,2|1,0,0]=3