0 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(C)NC1=CC=CC=C1 6823 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 CCCC1=CC=NC=C1 8669 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 c1cnccc1CCN A0195 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 c1cnccc1CCN P0148 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br 5312 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.20 C1=CC(=CC=C1CC(=O)O)F 9282 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.20 C1=CC(=CC=C1CC(=O)O)I 6666 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.20 C1=CC(=CC=C1CC(=O)O)N 6676 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 C1=CC(=CC=C1N)OC(F)F 5637 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.20 C1=CC(=CC=C1NC(=S)N)F 8121 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 C1=CC(=CC=C1OC(F)F)Br 5636 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.20 C1=CC(=CC=C1OC(F)F)Cl 6686 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.20 C1=CC(=CC=C1OC(F)F)I 6213 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl 5593 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.20 CC(C)OC1=CC=C(C=C1)Br 8626 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.20 CC(C)OC1=CC=C(C=C1)N 9611 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O 9216 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.36 CC(C1=CC=CC=C1)C(=O)O 9014 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br 5311 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)I 8438 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.86 C1=CC=C(C(=C1)OC(F)F)Br 6212 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.86 CC1=CC=CC=C1CC(=O)O 6025 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.86 CC1=CC=CC=C1NC(=S)N 8725 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O 6004 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O 10404 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.157 C1=CC(=CC(=C1)F)CC(=O)[O-] 10031 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.157 C1=CC(=CC(=C1)N)CC(=O)O 8680 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.157 C1=CC(=CC(=C1)O)CC(=O)O 10176 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.157 CC(=O)NC1=CC(=CC=C1)F 8345 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.509 C1=CC=C(C=C1)SC(F)(F)F 5601 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 6771 [0,1,0,0,0,0|2,0,0]=3 41 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [0,0,0,1,0,0|2,0,1]=4 43 B11R2.10 C1C(=O)CC2=CC=CC=C21 8484 [0,0,0,1,0,0|1,0,1]=3 44 B11R2.10 C1C2=CC=CC=C2NC1=O 8296 [0,0,0,1,0,0|1,0,1]=3 45 B11R2.10 C1C2=CC=CC=C2NC1=O 8629 [0,0,0,1,0,0|1,0,1]=3 46 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [0,0,0,1,0,0|0,0,2]=3 47 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [0,0,0,0,1,0|2,0,1]=4 48 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [0,0,0,0,1,0|1,0,1]=3 49 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [0,0,0,0,1,0|2,0,1]=4 52 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [0,0,0,0,1,0|2,0,1]=4 53 B9R1.6 CC(C1=CC=NC=C1)O 9776 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.6 CN(C)C1=CC=NC=C1 5603 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.6 CN(C)c1ccncc1 D0718 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.91 C1=CC=C(C=C1)OCC(=O)N 5996 [0,0,0,0,0,1|1,0,1]=3 57 B11R1.91 CC(=O)NCC1=CC=NC=C1 10075 [0,0,0,0,0,1|2,0,1]=4 58 B11R1.91 CC(C)NCC1=CC=CC=C1 8834 [0,0,0,0,0,1|1,0,0]=2 59 B8R1.2 C1=CC(=CN=C1)CCl 5990 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 C1=CC(=CN=C1)CN 10146 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 C1=CC(=CN=C1)CO 8600 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 C1=CC=NC(=C1)CCl 10463 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 C1=CC=NC(=C1)CN 5496 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 C1=CN=CC=C1CCl 8451 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 COC1=CC=CC=N1 9619 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 COC1=CC=NC=C1 10117 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.1 C1=CC(=CC=C1CC#N)Cl 6796 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.1 C1=CC(=CC=C1CC#N)F 10336 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [1,1,0,0,0,0|0,0,2]=4 78 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.4 CCOC1=CC=CC=C1F 5372 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.10 C1=CC(=CC(=C1)Br)CCN 8847 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.10 C1=CC(=CC(=C1)Cl)CCN 8166 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.10 C1=CC(=CC(=C1)F)CC#N 9476 [1,1,0,0,0,0|0,0,2]=4 84 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,1,0,0,0,0|0,0,1]=3 86 B10R1.15 CC(C#N)C1=CC=CC=C1 5998 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.15 CC(CN)C1=CC=CC=C1 9559 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.15 c1ccc(cc1)C(C[NH3+])O A1811 [1,1,0,0,0,0|0,0,1]=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|1,0,0]=3 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 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,1,0,0,1,0|1,0,1]=4 94 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,1,0,0,1,0|1,0,1]=4 95 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,1,0,0,1,0|1,0,1]=4 98 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,1,0,0,1,0|1,0,0]=3 100 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 6811 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,1,0,0,1,0|1,0,1]=4 103 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [0,1,0,0,1,0|1,0,1]=4 104 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br 6596 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,1,0,0,1,0|1,0,1]=4 106 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,1,0,0,1,0|1,0,1]=4 107 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,1,0,0,1,0|1,0,1]=4 108 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [0,1,0,0,1,0|1,0,0]=3 109 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [0,1,0,0,1,0|1,0,0]=3 110 B10R1.61 CC(c1ccccc1N)O A1015 [0,1,0,0,1,0|1,0,0]=3 111 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F 8828 [0,1,0,0,1,0|2,0,0]=4 112 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [0,1,0,0,1,0|1,0,1]=4 113 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [0,1,0,0,1,0|1,0,1]=4 114 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [0,1,0,0,1,0|1,0,1]=4 115 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [0,1,0,0,1,0|1,0,1]=4 116 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N 9990 [0,1,0,0,0,1|1,0,1]=4 117 B12R1.27 COC(=O)COC1=CC=CC=C1 5583 [0,1,0,0,0,1|1,0,1]=4 118 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O 10413 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br 9444 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.106 CC(C)(C)OC1=CC=C(C=C1)O 8442 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O 8773 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.564 CC(C)(C(=O)C1=CC=CC=C1)O 5517 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.32 CN(CCO)CC1=CC=CC=C1 5730 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.50 COC(=O)CC1=CC(=CC=C1)F 8246 [0,2,0,0,0,0|1,0,1]=4 125 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|0,0,0]=2 126 B10R2.7 c1ccc2c(c1)OCO2 B0143 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C 6591 [0,1,0,1,0,0|0,0,2]=4 129 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [0,1,0,1,0,0|0,0,2]=4 130 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [0,1,0,1,0,0|0,0,2]=4 131 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO 8088 [0,1,0,1,0,0|0,0,2]=4 132 B12R2.32 c1ccc2c(c1)CC(C2)CN A0089 [0,1,0,1,0,0|0,0,0]=2 133 B12R2.32 c1ccc2c(c1)cc([nH]2)CN A0090 [0,1,0,1,0,0|0,0,2]=4 134 B12R2.32 c1ccc2c(c1)cc([nH]2)CO I2706 [0,1,0,1,0,0|0,0,2]=4 135 B8R1.8 C1=C(NC=N1)CCN 8849 [1,0,0,0,1,0|2,0,0]=4