0 B9R1.15 C1=CC(=C(N=C1)C#N)F 5084 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 C1=CC(=C(N=C1)Cl)C#N 5375 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 C1=CC(=C(N=C1)F)C#N 5238 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 CC1=CC=CC=C1CO 6723 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 CCC1=CC=CC=C1I 6010 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 CCC1=CC=CC=C1S 5060 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.15 COC1=C(C=CC=N1)N 6512 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.15 COC1=CC=CC=C1Br 6133 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 COC1=CC=CC=C1F 6115 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.15 COC1=CC=CC=C1I 9182 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.15 COC1=CC=CC=C1N 6674 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.15 COc1ccccc1Br B0022 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.15 CSC1=CC=CC=C1Br 5058 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.15 CSC1=CC=CC=C1Cl 6157 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 CSC1=CC=CC=C1N 8226 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.15 CSC1=CC=CC=C1O 8029 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 C1=CC(=CN=C1)CCl 5990 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 C1=CC(=CN=C1)CN 10146 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 C1=CC(=CN=C1)CO 8600 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 C1=CC=NC(=C1)CCl 10463 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 C1=CC=NC(=C1)CN 5496 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 C1=CN=C(C=N1)C#N 6122 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.2 COC1=CC=CC=N1 9619 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 c1ccnc(c1)C=O P0092 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 C1=CN=C(C(=N1)N)Cl 8111 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.5 CC1=C(C=CC=N1)Br 5675 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.5 CC1=C(C=CC=N1)N 10626 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.5 CC1=C(N=CC=C1)Br 8086 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.5 CC1=CC=CC=C1Cl 5808 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 CC1=CC=CC=C1I 5298 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.5 CC1=NC=CN=C1C 10470 [1,0,0,0,0,0|0,0,0]=1 58 B10R1.2 CC1=C(C(=CC=C1)CN)C 6546 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.2 CC1=C(C=CC=C1Cl)CN 6533 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.2 CCC1=C(C(=NC=N1)Cl)F 8648 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.4 CCOC1=CC=CC=C1F 5372 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.20 CCC1=CC=CC=C1NN 10327 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.20 CCC1=NC=CN=C1OC 5339 [0,1,0,0,0,0|0,0,0]=1 66 B10R1.20 COC1=CC=CC=C1OC 9439 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.20 COC1=CC=CC=C1SC 5663 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.25 COC1=C(C=C(C=N1)Br)Br 9537 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.25 COC1=C(C=C(C=N1)Cl)Br 6646 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.25 COC1=NC=C(C=C1N)Br 9588 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.25 Cc1cc(ccc1CN)F F0029 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.30 CC1=C(C=C(C=C1)Cl)CN 6534 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.30 CC1=C(C=C(C=C1)F)CBr 8570 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.61 CC(c1ccccc1N)O A1015 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,1,0,0,0,0|0,0,1]=2 80 B10R1.245 CC1=C(C(=CC=C1)C)CCl 6548 [0,1,0,0,0,0|3,0,0]=4 81 B10R2.7 c1ccc2c(c1)CCC2 I009 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.11 CC1=C(SC=N1)C=O 8622 [0,0,0,0,1,0|2,0,1]=4 83 B8R1.11 CN1C=CN=C1CO 10537 [0,0,0,0,1,0|2,0,0]=3 84 B7R1.3 C1=CC(=CN=C1)N 9511 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.3 C1=CC(=CN=C1)O 6695 [2,0,0,0,0,0|2,0,0]=4 86 B7R1.3 C1=CC(=CN=C1)O 6696 [2,0,0,0,0,0|2,0,0]=4 87 B7R1.3 C1=CC=NC(=C1)Br 6647 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.3 C1=CN=C(C=N1)Cl 5278 [2,0,0,0,0,0|1,0,0]=3 89 B7R1.3 C1=CN=C(C=N1)N 6677 [2,0,0,0,0,0|1,0,0]=3 90 B7R1.3 CC1=CN=CC=C1 8633 [2,0,0,0,0,0|1,0,0]=3 91 B7R1.3 c1ccnc(c1)Br B0025 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.1 C1=CC(=NC=C1Br)CO 8417 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.1 C1=CC(=NC=C1CCl)Cl 5674 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.1 COC1=NC=C(C=C1)Br 9358 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.1 COC1=NC=C(C=C1)Br 9555 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.1 COC1=NC=C(C=C1)N 9999 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.2 C1=CN=C(C=C1Cl)CO 9975 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.2 COC1=CC(=CN=C1)Br 10627 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.2 COC1=CC(=CN=C1)Br 5648 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.2 COC1=NC(=CC=C1)Br 6692 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.2 COC1=NC(=CC=C1)Cl 8886 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [1,1,0,0,0,0|1,0,1]=4 104 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [1,1,0,0,0,0|0,0,1]=3 105 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,1,0,0,0,0|1,0,0]=3 108 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,1,0,0,0,0|1,0,0]=3 109 B9R1.3 CC1=C(C(=CC=C1)F)C 6112 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.69 CC1=C(C=C(C=C1)F)C 6113 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.69 CC1=C(C=CC(=N1)Br)Br 10157 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.69 CC1=C(C=CC(=N1)Cl)Br 5242 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.69 CC1=C(C=CC(=N1)Cl)F 5081 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.69 CC1=C(C=CC(=N1)Cl)N 10002 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.69 CC1=C(C=CC(=N1)F)Br 5681 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.69 CC1=C(C=CC(=N1)F)N 8257 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.69 CC1=C(C=CC(=N1)N)Br 5101 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.69 CC1=C(C=CC(=N1)N)Cl C2896 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.69 CC1=CC(=CN=C1Br)Br 5235 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.69 CC1=CC(=CN=C1Cl)N 9387 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.69 CC1=CC(=CN=C1F)Br 5236 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.69 CC1=CC(=CN=C1N)Br 5024 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.69 CC1=CC(=CN=C1N)I 6628 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.69 CC1=NC(=C(C=C1)Br)C 6834 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.222 COC(=O)C1=NC=CN=C1N 10013 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.53 CC(C1=CC=CC=C1OC)O 9994 [0,2,0,0,0,0|2,0,0]=4 127 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [0,1,0,1,0,0|2,0,0]=4 128 B11R2.20 C1CNCC2=CC=CC=C21 8407 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.1 C1=C(N=CS1)CCl 8519 [1,0,0,0,1,0|2,0,0]=4 130 B7R1.1 C1=CSC(=C1)CN 6832 [1,0,0,0,1,0|2,0,0]=4 131 B7R1.1 CCN1C=CC=N1 8885 [1,0,0,0,1,0|1,0,0]=3 132 B7R1.1 c1cc(oc1)CN F0590 [1,0,0,0,1,0|2,0,0]=4 133 B7R1.1 o1c(ccc1)CN F0591 [1,0,0,0,1,0|2,0,0]=4 134 B7R1.4 CC1=C(SC=C1)Br 5664 [1,0,0,0,1,0|2,0,0]=4 135 B7R1.4 CC1=C(SC=N1)C 5281 [1,0,0,0,1,0|1,0,0]=3 136 B7R1.4 CC1=CC=NN1C 5243 [1,0,0,0,1,0|1,0,0]=3