0 B10R1.20 CCC1=C(CC)C=CC=C1 1495AL [0,0,0,0,0,0|2,0,1]=3 1 B10R1.20 COC1=CC=CC=C1NN 6140AD [0,0,0,0,0,0|2,0,0]=2 2 B10R1.20 COC1=CN=NC=C1OC 8058AB [0,0,0,0,0,0|4,0,0]=4 3 B10R1.20 COC1=NC=CN=C1CBr Z2522 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.20 CSC1=CC=CC=C1C=O I066 [0,0,0,0,0,0|0,1,0]=1 5 B10R1.20 CSC1=CC=CC=C1CN Y9469 [0,0,0,0,0,0|1,1,1]=3 6 B10R1.20 NCC1=C(CN)C=CC=C1 8923AA [0,0,0,0,0,0|3,0,1]=4 7 B10R1.20 SCC1=CC=CC=C1CS 0786AP [0,0,0,0,0,0|2,1,1]=4 8 B9R1.15 CC1=C(NN)C=CC=C1 1069AL [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 CC1=C(NN)C=CC=N1 8099AA [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|2,0,1]=4 11 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 CCC1=CC=CN=C1C X8230 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 CCC1=CN=CNC1=O 3205AJ [1,0,0,0,0,0|3,0,0]=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|2,1,0]=4 16 B9R1.15 CSC1=CC=CN=C1Cl Z0760 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.15 N#CC1=C(S)C=CC=C1 Y1771 [1,0,0,0,0,0|1,1,1]=4 18 B9R1.15 N#[N+]C1=CC=CC=C1Cl T270 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 OCC1=C(O)C=NC=C1 W7832 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.37 CC1=CC(C=O)=C(C=O)C=C1 9676AL [0,1,0,0,0,0|2,0,0]=3 21 B11R1.37 CCC1=CC(Br)=CC=C1CO Z0969 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.37 COC1=C(C=O)C=C(I)C=C1 5839AB [0,1,0,0,0,0|0,0,0]=1 23 B11R1.37 COC1=C(CCl)C=CC(F)=C1 9416AJ [0,1,0,0,0,0|1,0,1]=3 24 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 1144AL [0,1,0,0,0,0|0,0,2]=3 25 B11R1.37 COC1=CC(Br)=CC=C1NN X5439 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.37 COC1=CC=C(N)C=C1OC W5712 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.41 COC1=C(CCN)C=CC=C1 Y1181 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.41 COC1=CC=NC=C1CCN 1182AJ [0,1,0,0,0,0|2,0,1]=4 29 B11R1.41 CSC1=CC=CC=C1N=C=O Y9328 [0,1,0,0,0,0|0,1,1]=3 30 B11R1.53 C#CC1=CC=CC=C1C(C)C X5377 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.53 CNC1=CC=CC=C1C(=O)O 8074AF [0,1,0,0,0,0|1,0,0]=2 32 B11R1.53 COC1=C(C(C)Br)C=CC=C1 1291AB [0,1,0,0,0,0|1,0,1]=3 33 B11R1.53 COC1=CC=CC=C1[C@@H](C)N W7850 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.53 COC1=CC=CC=C1[C@H](C)N W7851 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.53 COC1=CC=CN=C1B(O)O V6218 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.53 CSC1=NC=CC=C1C(=O)O Y9981 [0,1,0,0,0,0|1,1,0]=3 37 B11R1.53 N#[N+]C1=C([N+](=O)[O-])C=CC=C1 T274 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.53 NNC1=CC=CC=C1C(=O)O Z1609 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.53 O=C(O)C1=C(CO)C=CN=C1 Y9926 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.53 O=C(O)C1=C([Hg]O)C=CC=C1 7844AF [0,1,0,0,0,0|2,0,0]=3 41 B11R1.265 CCC1=C(C#N)C=CC=C1Br 3169AD [0,1,0,0,0,0|2,0,1]=4 42 B11R1.265 CNC1=C(C#N)C(F)=CC=C1 4535AF [0,1,0,0,0,0|2,0,1]=4 43 B11R1.265 COC1=C(Cl)C=CN=C1CCl 9849AL [0,1,0,0,0,0|2,0,1]=4 44 B11R1.265 CSC1=C(C=O)C(F)=CC=C1 Z0221 [0,1,0,0,0,0|0,1,0]=2 45 B11R1.265 N#CC1=CC=CC(F)=C1C=O 4565AC [0,1,0,0,0,0|2,0,0]=3 46 B11R2.1 CC1=NOC2=C1C=CC=N2 8579AB [0,0,0,1,0,0|3,0,0]=4 47 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [0,0,0,1,0,0|2,0,0]=3 48 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 6111AL [0,0,0,1,0,0|3,0,0]=4 49 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [0,0,0,1,0,0|2,0,1]=4 50 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [0,0,0,1,0,0|2,0,1]=4 51 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [0,0,0,1,0,0|2,0,1]=4 52 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [0,0,0,1,0,0|0,1,2]=4 53 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [0,0,0,1,0,0|1,0,2]=4 54 B11R2.20 C1=CC=C2SCCSC2=C1 6902AE [0,0,0,1,0,0|2,1,0]=4 55 B9R1.14 CCC1=NNC=C1C=O Y5289 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.14 CSC1=C(C=O)C=CS1 Z0839 [0,0,0,0,1,0|1,1,0]=3 57 B9R1.14 O=CC1=CSC=C1C=O 1543AA [0,0,0,0,1,0|3,0,0]=4 58 B8R0.4 CCC\C=C\C=C\C=O R556 [1,0,1,0,0,0|0,0,2]=4 59 B8R0.4 CCC\C=C\C=C\C=O W5281 [1,0,1,0,0,0|0,0,2]=4 60 B8R1.2 CNC1=CC=CC=C1 7883AF [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 NNC1=CC=CC=C1 5128AF [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 O=CC1=CC=NC=C1 7668AH [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 O[Hg]C1=CC=CC=C1 7647AF [2,0,0,0,0,0|1,0,1]=4 65 B8R1.5 CC1=C(Br)C=CN=C1 N224 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 ClC1=CC=CC=C1Cl 9816AF [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 OC1=C(F)C=CN=C1 1350AA [2,0,0,0,0,0|2,0,0]=4 68 B10R1.2 CC1=C(Cl)C=CC=C1CO Z1056 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.2 CNC1=CC=CC(Br)=C1C 2219AJ [1,1,0,0,0,0|1,0,1]=4 70 B10R1.2 COC1=CN=CC(N)=C1N Y7354 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.2 CSC1=C(O)C(F)=CC=C1 Z0334 [1,1,0,0,0,0|0,1,1]=4 72 B10R1.2 O=CC1=C(Cl)C(F)=CN=C1 Y3601 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.4 C=CCC1=C(C)C=CN=C1 Z0085 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.4 CCOC1=C(Br)C=CN=C1 5580AH [1,1,0,0,0,0|2,0,0]=4 75 B10R1.4 CCOC1=CC=CC=C1S I213 [1,1,0,0,0,0|0,1,0]=3 76 B10R1.4 C[N+]1=CC=CC=C1\C=N\O 7885AF [1,1,0,0,0,0|1,0,1]=4 77 B10R1.25 CC1=C(CN)C=CC(Cl)=C1 9031AD [1,1,0,0,0,0|1,0,1]=4 78 B10R1.25 CC1=C(N=O)C=CC(O)=C1 7860AF [1,1,0,0,0,0|1,0,0]=3 79 B10R1.25 CC1=CC=C(CBr)C(C)=C1 Z5135 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.25 CC1=CC=C(NN)C(C)=C1 1052AL [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 COC1=CC=C(C)N=C1F Y3820 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.25 COC1=CC=C(N)C=C1N X6229 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.25 COC1=CN=C(F)C=C1C Y3908 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.25 COC1=NC=C(I)C=C1C Z0408 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.25 O=CC1=CN=C(Cl)C=C1O 3514AJ [1,1,0,0,0,0|1,0,0]=3 86 B10R1.30 C=CC1=CC(Cl)=CC=C1Cl 1914AL [1,1,0,0,0,0|2,0,0]=4 87 B10R1.30 CC1=C(CN)C=C(Cl)C=C1 9032AD [1,1,0,0,0,0|1,0,1]=4 88 B10R1.30 CC1=CC(C#N)=C(C)C=C1 6569AA [1,1,0,0,0,0|1,0,1]=4 89 B10R1.30 CC1=CC([Mg]Br)=C(C)C=C1 7835AJ [1,1,0,0,0,0|2,0,0]=4 90 B10R1.30 CC1=CC=C(C)C(CN)=C1 W9616 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.30 CNC1=C(O)C=CC(N)=C1 9417AJ [1,1,0,0,0,0|1,0,1]=4 92 B10R1.30 COC1=CC(Cl)=CN=C1F Y3901 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.30 COC1=CC(N)=CC=C1I X6495 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.30 COC1=CC(N)=NC=C1C 1509AJ [1,1,0,0,0,0|1,0,1]=4 95 B10R1.30 CSC1=CC(C)=CC=C1Cl Z1327 [1,1,0,0,0,0|1,1,0]=4 96 B10R1.30 CSC1=CC(C)=CC=C1F Z1248 [1,1,0,0,0,0|1,1,0]=4 97 B10R1.30 CSC1=CC(I)=CC=C1Br Y3558 [1,1,0,0,0,0|1,1,0]=4 98 B10R1.30 NC1=NC=C(F)C=C1C=O 0669AD [1,1,0,0,0,0|2,0,0]=4 99 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [1,1,0,0,0,0|2,0,0]=4 102 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [1,1,0,0,0,0|0,0,0]=2 104 B10R1.245 C=CC1=C(C)C=CC=C1C Y8170 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.245 CC1=C(C=O)C(Br)=CC=N1 X3721 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.245 COC1=C(I)C=CN=C1F Y3902 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.245 COC1=[N+]([O-])C=CC=C1C 9988AA [1,1,0,0,0,0|1,0,1]=4 108 B10R1.245 CSC1=C(Br)C=CC=C1Br Z0491 [1,1,0,0,0,0|1,1,0]=4 109 B10R1.245 CSC1=C(Cl)C=CC=C1Br Z1315 [1,1,0,0,0,0|1,1,0]=4 110 B10R1.245 NC1=CC=NC(F)=C1C=O 2626AJ [1,1,0,0,0,0|2,0,0]=4 111 B10R1.245 [C-]#[N+]C1=C(C)C=CC=C1C 9959AL [1,1,0,0,0,0|2,0,0]=4 112 B10R1.39 CSC1=C(C(=O)O)C=CS1 Z0803 [0,1,0,0,1,0|1,1,0]=4 113 B12R1.46 CNC1=C(C(N)=O)C=C(Cl)C=C1 0067AE [0,2,0,0,0,0|1,0,0]=3 114 B12R1.46 CSC1=NC=C(F)C=C1C(C)=O Y5004 [0,2,0,0,0,0|1,1,0]=4 115 B12R1.57 CC1=CC=C(B(O)O)C(C=O)=C1 Z0597 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.57 COC1=C(C(=N)N)C=CC(Br)=C1 2694AJ [0,2,0,0,0,0|1,0,0]=3 117 B12R1.57 NCC1=CC(Br)=CC=C1C(=O)O 5023AA [0,2,0,0,0,0|2,0,0]=4 118 B12R1.78 COC1=CC=C([Mg]Br)C=C1OC 8012AJ [0,2,0,0,0,0|2,0,0]=4 119 B12R1.112 COC1=CC(Br)=CN\C1=C\N=O 8549AC [0,2,0,0,0,0|1,0,0]=3 120 B12R1.234 COC1=C(C=O)C(F)=CC(C)=C1 Z0142 [0,2,0,0,0,0|0,0,0]=2 121 B12R1.234 COC1=CC(Br)=CC(F)=C1CO Z0179 [0,2,0,0,0,0|0,0,2]=4 122 B12R1.268 COC1=C(CCN)C=C(Br)C=C1 7003AD [0,2,0,0,0,0|1,0,1]=4 123 B12R1.448 COC1=CC(C)=C(Br)C=C1C=O 9923AL [0,2,0,0,0,0|0,0,0]=2 124 B12R1.652 COC1=C(CO)C(F)=C(Br)C=C1 Z1222 [0,2,0,0,0,0|0,0,2]=4 125 B12R1.652 COC1=CC=C(F)C(F)=C1CBr 4541AC [0,2,0,0,0,0|1,0,1]=4 126 B12R1.652 CSC1=C(C=O)C(F)=C(F)C=C1 Z1257 [0,2,0,0,0,0|0,1,0]=3 127 B12R1.75 COC1=CC=CC=C1CC(C)N Y6066 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.77 COC1=CC=CC=C1C(C)CN X3857 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.77 COC1=CC=CC=C1C(N)C#N W9819 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.77 N#CC1=C(C(=O)CBr)C=CC=C1 X2068 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.169 CCOC1=CC=CC=C1CCN 2442AE [0,2,0,0,0,0|1,0,1]=4 132 B12R1.283 CCSC1=C(C(=O)O)C=CC=N1 Y8538 [0,2,0,0,0,0|1,1,0]=4 133 B12R1.283 CCSC1=C(C(N)=O)C=CC=N1 Y7855 [0,2,0,0,0,0|1,1,0]=4 134 B12R1.283 NCCC1=CC=CC=C1C(=O)O 1770AC [0,2,0,0,0,0|1,0,0]=3 135 B12R1.87 CSC1=C(Br)C=CC=C1C(=O)O Z0641 [0,2,0,0,0,0|0,1,0]=3 136 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=N1 I178 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.261 CC(N)C1=C(C(=O)O)C=CC=C1 9994AH [0,2,0,0,0,0|1,0,0]=3 138 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] S430 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.437 CC1=C(C(=O)Br)C(CBr)=CC=C1 Q342 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.437 CC1=CC=CC(C=O)=C1[N+](=O)[O-] 2334AJ [0,2,0,0,0,0|2,0,0]=4 141 B12R1.437 COC1=C([N+](=O)[O-])C(N)=NC=C1 Y4180 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.437 COC1=CC=CC(F)=C1C(N)=O 7496AB [0,2,0,0,0,0|0,0,0]=2 143 B12R1.741 COC1=C(I)C=CC(F)=C1C=O Z1590 [0,2,0,0,0,0|0,0,0]=2 144 B12R1.1879 COC1=CC=CC(CBr)=C1CBr 1487AL [0,2,0,0,0,0|1,0,1]=4 145 B10R1.176 COC1=CC(C)=C(C)C=C1 6400AB [0,0,1,1,0,0|1,0,1]=4 146 B10R2.7 C1=CC2=C(CC=C2)N=C1 2529AB [1,0,0,1,0,0|2,0,0]=4 147 B10R2.7 C1=CC2=CNC=C2C=C1 0763AP [1,0,0,1,0,0|1,0,1]=4 148 B10R2.7 C1=CC=C2NCNC2=C1 6469AB [1,0,0,1,0,0|2,0,0]=4 149 B10R2.7 C1=CN=C2OC=CC2=C1 Y8520 [1,0,0,1,0,0|1,0,1]=4 150 B12R2.24 BrC1=CC=C2COCOC2=C1 Y9229 [0,1,0,1,0,0|0,0,2]=4 151 B12R2.24 N[C@@H]1COC2=CC=CC=C2C1 8695AH [0,1,0,1,0,0|1,0,1]=4 152 B12R2.24 O=C1CCC2=CC=CN=C2C1 3036AJ [0,1,0,1,0,0|2,0,0]=4 153 B12R2.132 O=C1CNC2=CC=C(Br)C=C12 9806AB [0,1,0,1,0,0|1,0,0]=3 154 B12R2.612 CN1N=CC2=C1C=CC(Cl)=C2 Y5772 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.18 BrC1=C(Br)C2=CC=CC=C2O1 Z2437 [0,1,0,1,0,0|1,0,1]=4 156 B12R2.18 CN1C(=S)OC2=CC=CC=C21 Y7468 [0,1,0,1,0,0|1,1,0]=4 157 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [0,1,0,1,0,0|0,0,1]=3 158 B12R2.315 O=CC1=C2NCCC2=CC=C1 7023AA [0,1,0,1,0,0|1,0,0]=3 159 B12R2.1081 CC1=CC=CC2=C1OCCN2 3151AC [0,1,0,1,0,0|2,0,0]=4 160 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 Z5959 [0,1,0,1,0,0|1,0,1]=4 161 B12R2.1081 O=C1CCCC2=C1C=NC=C2 1098AB [0,1,0,1,0,0|2,0,0]=4 162 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [0,1,0,1,0,0|1,0,0]=3 163 B12R2.1081 OC1=CC=CC2=C1OCCN2 0912AC [0,1,0,1,0,0|2,0,0]=4 164 B12R2.2028 N=C1NC(=O)C2=C1C=CC=C2 Z6021 [0,1,0,1,0,0|2,0,0]=4 165 B12R2.196 NC1=C2OC=C(Cl)C2=CC=C1 Y8928 [0,1,0,1,0,0|1,0,1]=4