0 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.15 C1=CN=CC=C1C(=O)NN 8671 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [0,0,0,0,0,0|0,0,2]=2 4 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 CC(C1=CC=NC=C1)O 9776 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 CN(C)C1=CC=NC=C1 5603 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 CN(C)c1ccncc1 D0718 [1,0,0,0,0,0|2,0,0]=3 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|1,0,0]=2 18 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,0,0,0,0,0|1,0,0]=2 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|2,0,0]=3 22 B9R1.8 c1cnccc1CCN A0195 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 c1cnccc1CCN P0148 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.16 C1=CC=C(C=C1)C(=O)NCO 5641 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br 5388 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O 10265 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN 9266 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN 9274 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.23 CCC(=O)C1=CC(=CC=C1)F 5174 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F 8384 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 C1=CC(=CN=C1)CCl 5990 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 C1=CC(=CN=C1)CN 10146 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 C1=CC(=CN=C1)CO 8600 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.2 C1=CC=NC(=C1)CCl 10463 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 C1=CC=NC(=C1)CN 5496 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.2 C1=CN=CC=C1CCl 8451 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 COC1=CC=NC=C1 10117 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 6811 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br 6596 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.61 CC(c1ccccc1N)O A1015 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F 8828 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.1 C1=CC(=CC=C1CC#N)Cl 6796 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.1 C1=CC(=CC=C1CC#N)F 10336 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [1,1,0,0,0,0|0,0,2]=4 82 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [1,1,0,0,0,0|0,0,0]=2 86 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.10 C1=CC(=CC(=C1)F)CC#N 9476 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.17 C1=CC=C(C=C1)CN=C=S 6108 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.17 CCNCC1=CC=NC=C1 8861 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.17 CNCCC1=CC=CC=N1 10522 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.17 CNCCC1=CC=CC=N1 6724 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.32 CN(CCO)CC1=CC=CC=C1 5730 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N 9362 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.107 C1=CC=C(C=C1)C(CC(=O)[O-])[NH3+] 8928 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.20 CC(C1=CC=C(C=C1)F)C(=O)[O-] 10098 [0,2,0,0,0,0|1,0,1]=4 100 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|1,0,0]=3 101 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.32 c1ccc2c(c1)CC(C2)CN A0089 [0,0,0,1,0,1|0,0,0]=2 103 B12R2.32 c1ccc2c(c1)cc([nH]2)CN A0090 [0,0,0,1,0,1|0,0,2]=4 104 B8R1.8 C1=C(NC=N1)CCN 8849 [1,0,0,0,1,0|2,0,0]=4