0 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 B(C1=CN=CC=C1)(O)O 5559 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,0,0,0,0,0|1,1,1]=4 9 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 CC(C1=CC=NC=C1)O 9776 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 CN(C)C1=CC=NC=C1 5603 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 CN(C)c1ccncc1 D0718 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 c1ccnc(c1)C(=O)O P2885 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CCCC1=CC=NC=C1 8669 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 c1cnccc1CCN A0195 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 c1cnccc1CCN P0148 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.16 C1=CC=C(C=C1)C(=O)NCO 5641 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br 5388 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O 10265 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [0,1,0,0,0,0|0,0,2]=3 32 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl 8550 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.23 COC(=O)C1=CC(=CC=C1)I 9834 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.23 COC(=O)C1=CC(=CC=C1)O 10660 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [0,1,0,0,0,0|1,0,2]=4 40 B9R1.11 CCC(=O)C1=CC=CS1 10053 [0,0,0,0,1,0|1,0,2]=4 41 B8R1.2 C1=CC(=CN=C1)CCl 5990 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 C1=CC(=CN=C1)CN 10146 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 C1=CC(=CN=C1)CO 8600 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 C1=CC=NC(=C1)CCl 10463 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 C1=CC=NC(=C1)CN 5496 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 C1=CN=CC=C1CCl 8451 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 COC1=CC=NC=C1 10117 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,1,0,0,0,0|0,0,2]=4 61 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,1,0,0,0,0|0,0,2]=4 62 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.28 C1=CC=C(C=C1)S(=N)(=O)O 5501 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 6811 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br 6596 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [1,1,0,0,0,0|0,0,2]=4 78 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.61 CC(c1ccccc1N)O A1015 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O 10119 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.113 B(C1=CC(=CC=C1)F)(O)O 5003 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F 8828 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [1,1,0,0,0,0|0,0,2]=4 91 B10R1.1 C1=CC(=CC=C1CC#N)Cl 6796 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.1 C1=CC(=CC=C1CC#N)F 10336 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.10 C1=CC(=CC(=C1)F)CC#N 9476 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.17 CCNCC1=CC=NC=C1 8861 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.17 CNCCC1=CC=CC=N1 10522 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.17 CNCCC1=CC=CC=N1 6724 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.32 CN(CCO)CC1=CC=CC=C1 5730 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.43 C1=CC=C(C=C1)C[C@H](C(=O)O)O 10498 [0,1,0,0,0,1|1,0,1]=4 115 B12R1.39 C1=CC=C(C=C1)S(=O)(=O)CCCl 8545 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N 10375 [0,2,0,0,0,0|0,0,2]=4 117 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br 10165 [0,2,0,0,0,0|0,0,2]=4 118 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F 5606 [0,2,0,0,0,0|0,0,2]=4 119 B12R1.16 CCOC(=O)C1=CC=C(C=C1)I 5062 [0,2,0,0,0,0|0,0,2]=4 120 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N 10608 [0,2,0,0,0,0|0,0,2]=4 121 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F 6293 [0,2,0,0,0,0|0,0,2]=4 122 B12R1.17 CCOC(=O)C1=CC(=CC=C1)I 5004 [0,2,0,0,0,0|0,0,2]=4 123 B12R1.30 CCCOC(=O)C1=CC=CC=C1 5507 [0,2,0,0,0,0|0,0,2]=4 124 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N 9362 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.107 C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+] 8928 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl 5514 [0,2,0,0,0,0|0,0,2]=4 127 B12R1.308 CCOC(=O)C1=CC=CC=C1F 5379 [0,2,0,0,0,0|0,0,2]=4 128 B12R1.308 CCOC(=O)C1=CC=CC=C1I 8646 [0,2,0,0,0,0|0,0,2]=4 129 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br 5459 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)F 5356 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F 6217 [0,2,0,0,0,0|0,0,2]=4 132 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)F 5666 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.564 CC(C)(C(=O)C1=CC=CC=C1)O 5517 [0,2,0,0,0,0|0,0,2]=4 134 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|0,0,0]=2 135 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.32 c1ccc2c(c1)CC(C2)CN A0089 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 8243 [0,1,0,1,0,0|0,0,2]=4 138 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,1,0,1,0,0|0,0,2]=4 139 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,1,0,1,0,0|0,0,2]=4 140 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)F 9344 [0,1,0,1,0,0|0,0,2]=4 141 B12R2.132 CC1=CC2=C(CCC2=O)C=C1 5495 [0,1,0,1,0,0|0,0,2]=4 142 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 B1144 [0,1,0,1,0,0|0,0,2]=4