0 B10R1.4 C=CCC1=C(C)C=CN=C1 Z0085 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.4 CCCC1=C(C)C=CN=C1 Z0694 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.4 CCOC1=C(Br)C=CN=C1 5580AH [0,0,0,0,0,0|3,0,0]=3 3 B10R1.4 CCOC1=CC=CC=C1S I213 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.8 CCCC1=CN=CC=C1 6392AB [1,0,0,0,0,0|1,0,0]=2 5 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.8 N#C[Se]C1=CC=CC=C1 7419AD [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 O=C=NC1=CC=CC=C1 9929AF [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 O\N=C\C1=CC=CC=C1 R588 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.15 CC1=C(NN)C=CC=C1 1069AL [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 CCC1=C(C)C=CN=C1 R348 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 CCC1=CC=CN=C1C X8230 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 CCC1=CN=CNC1=O 3205AJ [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 CNC1=NC=CC=C1I Y3706 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 CSC1=C(Br)C=CN=C1 Z1487 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 CSC1=CC=CN=C1Cl Z0760 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 FC1=C(CBr)C=CN=C1 Y7275 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 FC1=C(CBr)N=CC=C1 4239AA [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 N#CC1=C(S)C=CC=C1 Y1771 [1,0,0,0,0,0|1,1,1]=4 20 B9R1.15 N#[N+]C1=CC=CC=C1Cl T270 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 OCC1=C(O)C=NC=C1 W7832 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.13 CC1=C(C)C(CC#N)=CC=C1 R019 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.17 COCOC1=CC=CN=C1I Y4451 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.17 NCCOC1=CC=CC=C1Cl V4787 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.17 O=C\C=C\C1=CC=CC=C1O W2100 [0,1,0,0,0,0|0,0,3]=4 26 B11R1.17 OCCNC1=NC=CC=C1I Y4622 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.41 COC1=C(CCN)C=CC=C1 Y1181 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.41 COC1=CC=NC=C1CCN 1182AJ [0,1,0,0,0,0|2,0,0]=3 29 B11R1.81 CCOC1=CC=C(C)N=C1F Y3506 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.81 CCOC1=CC=C(Cl)C=C1Cl Z0674 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.81 CCOC1=CC=C(Cl)N=C1Cl Z0180 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.81 CCOC1=CN=C(Cl)C=C1I 9927AL [0,1,0,0,0,0|3,0,0]=4 33 B11R1.81 O\N=C\C1=CC=C(O)C=C1O H019 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.86 CC(C)OC1=CC=CN=C1F Z0174 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.86 CC(N)CC1=CC=CC=C1F 8826AA [0,1,0,0,0,0|1,0,0]=2 36 B11R1.182 CCOC1=CC(Br)=CN=C1F Z0178 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.182 N#CCC1=C(I)C=CC(Br)=C1 Y1652 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.182 N#CCC1=CC(N)=CC=C1F 3073AJ [0,1,0,0,0,0|2,0,1]=4 39 B11R1.182 NCCC1=C(Br)C=CC(O)=C1 1933AJ [0,1,0,0,0,0|2,0,0]=3 40 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 3166AC [0,1,0,0,0,0|2,0,0]=3 41 B11R1.222 NC[C@H](O)C1=CC=CC=C1Cl 6826AC [0,1,0,0,0,0|2,0,0]=3 42 B11R1.605 CCOC1=C(Cl)C=CC=C1Cl Z0538 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.605 NC1=CC=CC(N)=C1CCO Z2364 [0,1,0,0,0,0|2,0,0]=3 44 B11R2.10 CC1=NC2=CC=CC=C2[Se]1 E607 [0,0,0,1,0,0|1,1,1]=4 45 B11R2.10 NC1=CC2=C(C=CC=C2)O1 6755AA [0,0,0,1,0,0|1,0,2]=4 46 B11R2.20 C1=CC=C2SCCSC2=C1 6902AE [0,0,0,1,0,0|1,1,0]=3 47 B11R2.106 ClC1=NC=NC2=C1CCC2 W1351 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.106 IC1=C2OCCC2=CC=C1 Y8502 [0,0,0,1,0,0|2,0,0]=3 49 B11R2.106 OC1=CC=CC2=C1SC=N2 3829AJ [0,0,0,1,0,0|2,0,1]=4 50 B8R0.4 CCC\C=C\C=C\C=O R556 [1,0,1,0,0,0|0,0,1]=3 51 B8R0.4 CCC\C=C\C=C\C=O W5281 [1,0,1,0,0,0|0,0,1]=3 52 B8R1.2 BrCC1=CN=CC=C1 0834AC [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 BrCC1=NC=CC=C1 8088AB [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 CNC1=CC=CC=C1 7883AF [2,0,0,0,0,0|1,0,0]=3 55 B8R1.2 NNC1=CC=CC=C1 5128AF [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 O[Hg]C1=CC=CC=C1 7647AF [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 CC1=C(Br)C=CN=C1 N224 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 ClC1=CC=CC=C1Cl 9816AF [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 OC1=C(F)C=CN=C1 1350AA [2,0,0,0,0,0|2,0,0]=4 61 B10R0.71 CCCCC\C=C\C=C\CO U655 [0,1,1,0,0,0|0,0,2]=4 62 B10R1.1 CC1=CC=C(CC=O)C=C1 U064 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.1 CNCC1=CC=C(Cl)N=C1 0994AD [1,1,0,0,0,0|2,0,0]=4 64 B10R1.1 CNCC1=CC=C(O)C=C1 9883AL [1,1,0,0,0,0|1,0,0]=3 65 B10R1.1 COCC1=CN=C(Cl)C=C1 Z2539 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 COCC1=NC=C(Br)C=C1 Y3500 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.1 FC1=CC=C(C[Mg]Cl)C=C1 8149AJ [1,1,0,0,0,0|2,0,0]=4 68 B10R1.1 O=CCC1=CC=C(O)C=C1 Y9945 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.10 CC1=CC(CCN)=CC=C1 1118AJ [1,1,0,0,0,0|1,0,0]=3 70 B10R1.10 CC1=CC(CCN)=CC=C1 W6970 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.10 CCOC1=CC(C)=CN=C1 Y3973 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.10 N#CCC1=CC(Br)=CC=C1 D570 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.10 NCCC1=CC(O)=CC=C1 1935AJ [1,1,0,0,0,0|1,0,0]=3 74 B10R1.10 NCCC1=NC(Cl)=CC=C1 4992AA [1,1,0,0,0,0|2,0,0]=4 75 B10R1.10 NNCC1=CC=CC(Br)=C1 2389AL [1,1,0,0,0,0|2,0,0]=4 76 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 0659AD [1,1,0,0,0,0|2,0,0]=4 77 B10R1.15 C[C@H](NO)C1=CC=CC=C1 9770AE [1,1,0,0,0,0|2,0,0]=4 78 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 0124AA [1,1,0,0,0,0|1,0,1]=4 79 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.15 O[C@@H](CCl)C1=CC=CN=C1 8986AA [1,1,0,0,0,0|2,0,0]=4 81 B10R1.17 CCCCC1=NC=CN=C1 2999AB [1,1,0,0,0,0|2,0,0]=4 82 B10R1.17 CCOCC1=NC=CN=C1 3692AB [1,1,0,0,0,0|2,0,0]=4 83 B10R1.17 CC\C=C\C1=NC=CC=C1 Y6363 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [1,1,0,0,0,0|0,0,2]=4 85 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 8993AJ [1,1,0,0,0,0|1,0,0]=3 86 B10R1.17 NNCCC1=CC=CC=C1 5405AE [1,1,0,0,0,0|1,0,0]=3 87 B10R1.18 CC(N)CC1=CCCC=C1 7207AB [1,1,0,0,0,0|0,0,2]=4 88 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 9362AB [1,1,0,0,0,0|2,0,0]=4 89 B10R1.18 OB(O)CC1=CC=CC=C1 X0808 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.2 BrCC1=C(Br)C(I)=CC=C1 5062AA [1,1,0,0,0,0|2,0,0]=4 91 B10R1.2 CC1=C(Cl)C=CC=C1CO Z1056 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.2 CNC1=CC=CC(Br)=C1C 2219AJ [1,1,0,0,0,0|2,0,0]=4 93 B10R1.2 CSC1=C(O)C(F)=CC=C1 Z0334 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.20 CCC1=C(CC)C=CC=C1 1495AL [1,1,0,0,0,0|1,0,0]=3 95 B10R1.20 COC1=CC=CC=C1NN 6140AD [1,1,0,0,0,0|2,0,0]=4 96 B10R1.20 CSC1=CC=CC=C1C=O I066 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.20 CSC1=CC=CC=C1CN Y9469 [1,1,0,0,0,0|1,1,0]=4 98 B10R1.20 NCC1=C(CN)C=CC=C1 8923AA [1,1,0,0,0,0|2,0,0]=4 99 B10R1.20 SCC1=CC=CC=C1CS 0786AP [1,1,0,0,0,0|1,1,0]=4 100 B10R1.25 CC1=C(CN)C=CC(Cl)=C1 9031AD [1,1,0,0,0,0|2,0,0]=4 101 B10R1.25 CC1=CC=C(CBr)C(C)=C1 Z5135 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 COC1=CC=C(N)C=C1N X6229 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.30 CC1=C(CN)C=C(Cl)C=C1 9032AD [1,1,0,0,0,0|2,0,0]=4 104 B10R1.30 CC1=CC=C(C)C(CN)=C1 W9616 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.30 CNC1=C(O)C=CC(N)=C1 9417AJ [1,1,0,0,0,0|1,0,0]=3 106 B10R1.30 COC1=CC(N)=CC=C1I X6495 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.30 CSC1=CC(C)=CC=C1Cl Z1327 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.30 CSC1=CC(C)=CC=C1F Z1248 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.30 CSC1=CC(I)=CC=C1Br Y3558 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.61 CC(O)C1=C(N)C=CC=N1 9430AH [1,1,0,0,0,0|2,0,0]=4 111 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.245 CCC1=C(Br)C=NC=C1Br 5257AH [1,1,0,0,0,0|2,0,0]=4 114 B10R1.245 CSC1=C(Br)C=CC=C1Br Z0491 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.245 CSC1=C(Cl)C=CC=C1Br Z1315 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.544 CCOC1=CC=C(Br)C(C)=C1C Z1247 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.69 CCCOC1=CC=C(F)C=C1F Z0437 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.125 CC(=O)OCC1=C(C)C=CC=C1 5689AF [0,2,0,0,0,0|1,0,1]=4 119 B12R1.267 C=CCNCC1=CC=CC=C1F 6954AE [0,2,0,0,0,0|1,0,1]=4 120 B12R1.267 CCNCCC1=C(F)C=CC=C1 6821AJ [0,2,0,0,0,0|1,0,0]=3 121 B12R1.267 N#CCCNC1=C(Cl)C=CC=C1 6303AC [0,2,0,0,0,0|1,0,1]=4 122 B12R1.267 NCCOCC1=CC=CC=C1Cl 7563AE [0,2,0,0,0,0|1,0,0]=3 123 B12R1.267 OCCNCC1=CC=CC=C1F 9917AB [0,2,0,0,0,0|1,0,0]=3 124 B12R1.75 COC1=CC=CC=C1CC(C)N Y6066 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.77 COC1=CC=CC=C1C(C)CN X3857 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.77 COC1=CC=CC=C1C(N)C#N W9819 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.77 N#CC1=C(C(O)CN)C=CC=C1 6021AC [0,2,0,0,0,0|2,0,0]=4 128 B12R1.169 CCOC1=CC=CC=C1CCN 2442AE [0,2,0,0,0,0|1,0,0]=3 129 B12R1.268 COC1=C(CCN)C=C(Br)C=C1 7003AD [0,2,0,0,0,0|1,0,0]=3 130 B12R1.283 CCOC1=C(B(O)O)C=CN=C1 5699AA [0,2,0,0,0,0|2,0,0]=4 131 B12R1.283 CCSC1=C(C(=O)O)C=CC=N1 Y8538 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.283 NCCC1=CC=CC=C1C(=O)O 1770AC [0,2,0,0,0,0|1,0,0]=3 133 B12R1.233 CC(C)OC1=CC=C(F)C=C1F Z0351 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.233 O=C(O)CC1=CC=C(O)C=C1O W1999 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.1095 CCOC1=C(Cl)C=C(Br)C=C1Br Z0968 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.1703 N[C@@H](CO)C1=CC=C(F)C=C1O X6902 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.1703 OC(CCl)C1=C(Cl)C=C(Cl)C=C1 6531AA [0,2,0,0,0,0|2,0,0]=4 138 B12R1.124 NC(C(=O)O)C1=CC=CC=C1O W4840 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.127 CC(C)OC1=C(N)C=CC(Br)=C1 2693AJ [0,2,0,0,0,0|2,0,0]=4 140 B12R1.127 CC1=CC=C(Br)C(CN(C)C)=C1 Z0463 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.151 CC(C)(N)CC1=C(F)C=CC=C1 0106AB [0,2,0,0,0,0|1,0,0]=3 142 B12R1.151 CC(C)(N)CC1=C(F)C=CC=C1 9630AA [0,2,0,0,0,0|1,0,0]=3 143 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 4898AJ [0,2,0,0,0,0|1,0,0]=3 144 B12R1.1009 CC(C)OC1=C(Cl)C=CC=C1Cl Z0703 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.270 COC1=CC=C(Br)C(CCN)=C1 1030AJ [0,2,0,0,0,0|2,0,0]=4 146 B12R1.3441 CC[C@@H](N)C1=C(F)C=CC=C1F 3962AA [0,2,0,0,0,0|1,0,0]=3 147 B10R2.7 C1=CC=C2NCNC2=C1 6469AB [1,0,0,1,0,0|2,0,0]=4 148 B12R2.82 CC1=NC=C2COCC2=C1O 7290AB [0,1,0,1,0,0|2,0,0]=4 149 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 8732AD [0,1,0,1,0,0|0,0,2]=4 150 B12R2.1081 CC1=CC=CC2=C1OCCN2 3151AC [0,1,0,1,0,0|1,0,0]=3 151 B12R2.1081 CC1CNCC2=CC=CC=C21 8754AC [0,1,0,1,0,0|2,0,0]=4 152 B12R2.1081 FC1CNCC2=C1C=CC=C2 Y9380 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.1081 NC1=CC=CC2=C1NCCC2 3750AJ [0,1,0,1,0,0|1,0,0]=3 154 B12R2.1081 N[C@@H]1CCNC2=C1C=CC=C2 8806AH [0,1,0,1,0,0|1,0,0]=3 155 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 Z5959 [0,1,0,1,0,0|0,0,0]=2 156 B12R2.1081 N[C@H]1CCNC2=CC=CC=C21 9089AH [0,1,0,1,0,0|1,0,0]=3 157 B12R2.1081 O=C1CCCC2=C1C=NC=C2 1098AB [0,1,0,1,0,0|1,0,1]=4 158 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [0,1,0,1,0,0|1,0,1]=4 159 B12R2.1081 OC1=CC=CC2=C1OCCN2 0912AC [0,1,0,1,0,0|1,0,0]=3 160 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 4916AL [0,1,0,1,0,0|0,0,0]=2 161 B12R2.24 BrC1=CC=C2COCOC2=C1 Y9229 [0,1,0,1,0,0|1,0,0]=3 162 B12R2.24 CC1=CC2=C(C=C1)CCCC2 8578AA [0,1,0,1,0,0|1,0,0]=3 163 B12R2.24 CC1CC2=CC=CC=C2CN1 3049AB [0,1,0,1,0,0|1,0,0]=3 164 B12R2.24 CC1CCC2=C(C=CC=C2)N1 U603 [0,1,0,1,0,0|1,0,0]=3 165 B12R2.24 NC1CCC2=C(C1)N=CC=C2 6045AA [0,1,0,1,0,0|2,0,0]=4 166 B12R2.24 N[C@@H]1COC2=CC=CC=C2C1 8695AH [0,1,0,1,0,0|0,0,0]=2 167 B12R2.225 IC1=CC=CC=C1OC2CC2 Y7298 [0,1,0,1,0,0|1,0,0]=3 168 B12R2.225 NC1=CC=CC=C1OC2CC2 Y7299 [0,1,0,1,0,0|1,0,0]=3 169 B12R2.18 O[C@@H]1CC2=C(C=CC=C2)[C@H]1O Y9791 [0,1,0,1,0,0|1,0,0]=3 170 B12R2.315 O=CC1=C2NCCC2=CC=C1 7023AA [0,1,0,1,0,0|1,0,1]=4 171 B12R2.2048 COC1=NC=CC=C1C2CC2 Z1430 [0,1,0,1,0,0|1,0,0]=3 172 B12R2.606 NC1CC2=C(C=C(Br)C=C2)C1 Y6373 [0,1,0,1,0,0|2,0,0]=4 173 B12R2.606 NC1CC2=CC=C(Br)C=C2C1 2318AC [0,1,0,1,0,0|2,0,0]=4 174 B12R2.1317 CC1=CC(F)=NC=C1C2CC2 Z1558 [0,1,0,1,0,0|2,0,0]=4 175 B12R2.1317 FC1=CC=C(C2CC2)C(F)=C1 Z0171 [0,1,0,1,0,0|1,0,0]=3 176 B12R2.95 CC1(N)CC2=C(C=CC=C2)C1 3339AB [0,1,0,1,0,0|1,0,0]=3 177 B12R2.95 ClC1(Cl)OC2=C(C=CC=C2)O1 6858AD [0,1,0,1,0,0|2,0,0]=4 178 B8R1.8 CNCC1=CC=CO1 6487AB [1,0,0,0,1,0|2,0,0]=4