0 B10R1.1 CC1=CC=C(N=C=S)C=C1 BB_SC-06558 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.1 FC1=CC=C(N=C=S)C=C1 BB_SC-01854 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 NC1=CC=C(CCO)C=C1 BB_SC-12672 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 NCCC1=CC=C(F)C=C1 BB_SC-03162 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.1 NCCC1=CC=C(O)C=C1 BB_NC-01362 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 BB_SC-06546 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.1 S=C=NC1=CC=C(Cl)C=C1 BB_SC-01852 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.1 CC1=CC=C(CCl)C=C1 BB_SC-06960 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.1 CCC1=CC=C(N)C=C1 BB_SC-07009 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.1 CNC1=CC=C(O)C=C1 BB_SC-07044 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.1 COC1=CC=C(S)C=C1 BB_SC-06511 [1,0,0,0,0,0|0,1,0]=2 11 B9R1.1 COC1=NN=C(Cl)C=C1 BB_SC-07781 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.1 ClCC1=CC=C(Br)C=C1 BB_SC-04526 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.1 ClCC1=CC=C(Cl)N=C1 BB_SC-02080 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 FC1=CC=C(CCl)C=C1 BB_SC-06883 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.1 N#CC1=CC=C(F)C=C1 BB_SC-04560 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.1 N#CC1=CC=C(N)C=C1 BB_SC-12619 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.1 NC1=CC=C(C=O)C=C1 BB_NC-02192 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.1 NCC1=CC=C(Cl)C=C1 BB_SC-04583 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 NCC1=CC=C(N)C=C1 BB_SC-08895 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.1 NNC1=CC=C(Br)C=C1 BB_SC-06247 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.1 NNC1=CC=C(Cl)C=C1 BB_SC-05223 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 O=CC1=CC=C(F)C=C1 BB_SC-03254 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 O=CC1=CC=C(O)C=C1 BB_NC-02207 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.1 OCC1=CC=C(Cl)C=C1 BB_SC-06996 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 OCC1=CC=C(F)C=C1 BB_SC-06738 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 S=C=NC1=CC=CC=C1 BB_SC-09412 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.1 CCCCC1=CC=C(N)C=C1 BB_SC-07013 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.1 CCCOC1=CC=C(O)C=C1 BB_SC-06487 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.1 NC1=CC=C(OCCO)C=C1 BB_SC-08224 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.1 NCCOC1=CC=C(Br)C=C1 BB_SC-11794 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.1 NCCOC1=CC=C(Cl)C=C1 BB_SC-11793 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB_SC-07000 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BB_SC-10569 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.20 CC(C)OC1=NN=C(Cl)C=C1 BB_SC-08822 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 BB_SC-06050 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB_SC-06931 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BB_SC-06905 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB_SC-07445 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BB_NC-02783 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB_SC-11368 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB_NC-01337 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BB_SC-06259 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 BB_SC-07012 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.83 CCOC1=CC=C(C=O)C=C1 BB_SC-06983 [0,1,0,0,0,0|0,0,1]=2 59 B11R1.83 COC1=CC=C(CCCl)C=C1 BB_SC-07143 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.83 COC1=CC=C(CCN)C=C1 BB_NC-02181 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.83 COC1=CC=C(CCO)C=C1 BB_SC-09388 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.83 COC1=CC=C(N=C=S)C=C1 BB_SC-01850 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 BB_NC-00676 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.83 O=CC1=CC=C(CCBr)C=C1 BB_SC-09762 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 BB_NC-00472 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.192 CNCC1=CC(Cl)=C(O)C=C1 BB_SC-12468 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.192 NCCC1=CC(O)=C(O)C=C1 BB_NC-01356 [0,1,0,0,0,0|2,0,0]=3 68 B11R2.36 NC1=CC2=C(C=C1)OCO2 BB_SC-12006 [0,0,0,1,0,0|2,0,0]=3 69 B11R2.36 OC1=CC2=C(C=C1)NC=C2 BB_SC-01866 [0,0,0,1,0,0|1,0,2]=4 70 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-01237 [0,0,0,1,0,0|1,0,0]=2 71 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-02931 [0,0,0,1,0,0|1,0,0]=2 72 B11R2.36 OC1=CC2=NSN=C2C=C1 BB_SC-00228 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.3 CC1=CC=[N+]([O-])C=C1 BB_SC-06930 [2,0,0,0,0,0|1,0,1]=4 82 B8R1.3 CC1=CN=C(N)C=C1 BB_SC-07181 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.3 NC1=CC=C(N)C=C1 BB_SC-07053 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.3 NC1=CC=C(O)C=C1 BB_SC-06973 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.3 O=C1C=CC(=O)C=C1 BB_NC-02313 [2,0,0,0,0,0|0,0,2]=4 86 B8R1.3 OC1=CC=C(O)C=C1 BB_NC-02226 [2,0,0,0,0,0|0,0,0]=2 87 B8R1.3 OC1=NC=C(Cl)C=C1 BB_SC-07238 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.3 COC1=CC=C(C=O)C=C1 BB_NC-02206 [1,1,0,0,0,0|0,0,1]=3 89 B10R1.3 COC1=CC=C(CN)C=C1 BB_NC-02172 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.3 COC1=CC=C(CO)C=C1 BB_NC-02176 [1,1,0,0,0,0|0,0,0]=2 91 B10R1.3 COC1=CC=C(NN)C=C1 BB_SC-09378 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.3 CSC1=CC=C(C=O)C=C1 BB_SC-11238 [1,1,0,0,0,0|0,1,1]=4 93 B10R1.3 N#CC1=CC=C(CCl)C=C1 BB_SC-03007 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.13 CC(C)C1=CC=C(N)C=C1 BB_SC-12018 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.13 CC(C)C1=CC=C(O)C=C1 BB_SC-12725 [1,1,0,0,0,0|0,0,0]=2 102 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BB_SC-11893 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BB_SC-03474 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.25 COC1=CC=C(N)C=C1Cl BB_SC-11214 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.25 ClCC1=CC=C(Cl)C=C1Cl BB_SC-07005 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.25 O=CC1=C(O)C=C(O)C=C1 BB_NC-02242 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 BB_SC-12456 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.176 O=C1C=C(CCl)OC=C1O BB_NC-02049 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.176 O=C1C=C(CO)OC=C1O BB_NC-00714 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 BB_SC-04600 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BB_NC-02317 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.10 CNCC1=CC(N)=CC=C1 BB_SC-08896 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.10 NCCC1=CC(F)=CC=C1 BB_SC-08693 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.17 CNCCC1=NC=CC=C1 BB_SC-03651 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [1,1,0,0,0,0|0,1,0]=3 126 B10R1.17 OCC#CC1=CC=CC=C1 BB_SC-02014 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.1 CCCCOC1=CC=C(N)C=C1 BB_SC-06677 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.1 NCCOCC1=CC=C(Br)C=C1 BB_SC-12608 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 BB_SC-06976 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 BB_SC-00019 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BB_SC-07124 [0,2,0,0,0,0|0,0,0]=2 137 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 BB_NC-02800 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB_SC-07359 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB_SC-01486 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.71 C=CCOC1=CC=C(C=O)C=C1 BB_NC-00320 [0,2,0,0,0,0|0,0,2]=4 144 B12R1.71 CCCOC1=CC=C(C=O)C=C1 BB_SC-07120 [0,2,0,0,0,0|0,0,1]=3 145 B12R1.71 COC1=CC=C(OCCBr)C=C1 BB_SC-08040 [0,2,0,0,0,0|0,0,0]=2 146 B12R1.71 COC1=CC=C(OCCN)C=C1 BB_SC-11754 [0,2,0,0,0,0|0,0,0]=2 147 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 BB_SC-07354 [0,2,0,0,0,0|0,0,1]=3 148 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BB_NC-02438 [0,2,0,0,0,0|0,0,1]=3 149 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 BB_NC-02444 [0,2,0,0,0,0|1,0,0]=3 150 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BB_NC-02170 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.106 NC1=CC=C(OC(F)(F)F)C=C1 BB_SC-02093 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 BB_SC-01602 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB_NC-02952 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 BB_SC-07001 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.367 CCC(C)C1=CC(N)=C(O)C=C1 BB_SC-00358 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 BB_SC-02713 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 BB_SC-12620 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O BB_SC-05956 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 BB_SC-03282 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 BB_SC-06872 [0,2,0,0,0,0|0,0,1]=3 161 B12R1.288 CCCC1=CC(O)=C(OC)C=C1 BB_NC-00502 [0,2,0,0,0,0|1,0,0]=3 162 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB_NC-00503 [0,2,0,0,0,0|1,0,0]=3 163 B10R2.6 C1=CC=C(C2CO2)C=C1 BB_NC-02270 [1,0,0,1,0,0|2,0,0]=4 164 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [1,0,0,1,0,0|1,0,0]=3 165 B12R2.24 NC1=CC=C2OCCOC2=C1 BB_SC-05353 [0,1,0,1,0,0|1,0,0]=3 166 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 BB_SC-05336 [0,1,0,1,0,0|1,0,1]=4 167 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB_NC-02097 [0,1,0,1,0,0|2,0,0]=4 168 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BB_SC-02862 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 BB_SC-02400 [0,1,0,1,0,0|1,0,1]=4 170 B12R2.44 OCC1=CC2=C(C=C1)OCO2 BB_NC-01744 [0,1,0,1,0,0|1,0,0]=3