0 B7R1.4 CC1=C(C=NN1)Br 6719 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 CC1=C(SC=C1)Br 5664 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.4 CC1=C(SC=N1)C 5281 [0,0,0,0,0,0|0,0,0]=0 3 B7R1.4 CC1=CC=NN1C 5243 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 C1=C(C=NN1)Br 6650 [1,0,0,0,0,0|3,0,0]=4 5 B6R1.2 C1=C(C=NN1)Cl 5689 [1,0,0,0,0,0|3,0,0]=4 6 B6R1.2 C1=C(C=NN1)I 10066 [1,0,0,0,0,0|3,0,0]=4 7 B6R1.2 C1=C(C=NN1)I 5132 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 C1=C(N=CS1)Br 9723 [1,0,0,0,0,0|1,0,0]=2 9 B6R1.2 C1=C(NC=N1)Br 10481 [1,0,0,0,0,0|2,0,0]=3 10 B6R1.2 C1=C(NN=C1)N 5250 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 C1=CON=C1N 6722 [1,0,0,0,0,0|3,0,0]=4 12 B6R1.2 C1=CSC(=C1)Br 5377 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 C1=CSC(=C1)Cl 9477 [1,0,0,0,0,0|2,0,0]=3 14 B6R1.2 C1=CSC(=C1)I 9486 [1,0,0,0,0,0|2,0,0]=3 15 B6R1.2 C1=CSC(=N1)Br 5317 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 C1=CSC(=N1)N 6775 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 C1=CSC=C1Cl 9478 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 C1=NN=C(S1)N 5215 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 C1=NNC(=N1)Br 5082 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 CC1=CC=CS1 8742 [1,0,0,0,0,0|1,0,0]=2 21 B6R1.2 CC1=CC=NN1 8083 [1,0,0,0,0,0|2,0,0]=3 22 B6R1.2 CC1=CN=CN1 9563 [1,0,0,0,0,0|1,0,0]=2 23 B6R1.2 CC1=CSC=N1 8929 [1,0,0,0,0,0|0,0,0]=1 24 B6R1.2 CN1C=NC=N1 8972 [1,0,0,0,0,0|2,0,0]=3 25 B6R1.2 Cc1cccs1 M0049 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.11 C1=CSC(=C1C#N)N 6513 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.11 CC1=C(SC=N1)C=O 8622 [0,1,0,0,0,0|0,0,1]=2 28 B8R1.11 CN1C=CN=C1CO 10537 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.50 CC1=C(C(=NO1)C)I 5030 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.4 C1=CN=C(C=C1Br)Br 5241 [0,0,0,0,0,1|3,0,0]=4 31 B8R1.4 C1=CN=C(C=C1Br)Cl 8808 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.4 C1=CN=C(C=C1Br)F 6500 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.4 C1=CN=C(C=C1Br)N 8459 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.4 C1=CN=C(C=C1Cl)Cl 5661 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.4 C1=CN=C(C=C1I)F 8362 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.4 C1=CN=C(C=C1N)Br 9320 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.4 C1=CN=C(C=C1N)Cl 5451 [0,0,0,0,0,1|3,0,0]=4 38 B8R1.4 C1=CN=C(N=C1N)Cl 6711 [0,0,0,0,0,1|3,0,0]=4 39 B8R1.4 C1=CN=C(N=C1N)N 9571 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.4 C1=NC(=O)NC(=N1)N 8219 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.4 CC1=CC(=CC=C1)Br 9432 [0,0,0,0,0,1|3,0,0]=4 42 B8R1.4 CC1=CC(=CC=C1)I 8771 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.4 CC1=CC(=NC=C1)Br 9012 [0,0,0,0,0,1|2,0,0]=3 44 B8R1.4 CC1=CC(=NC=C1)Cl 5069 [0,0,0,0,0,1|2,0,0]=3 45 B8R1.4 CC1=CC(=NC=C1)F 5561 [0,0,0,0,0,1|2,0,0]=3 46 B8R1.4 CC1=CC(=NC=C1)F 6308 [0,0,0,0,0,1|2,0,0]=3 47 B8R1.4 CC1=NC(=CC=C1)Br 5660 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.4 CC1=NC(=CC=C1)F 9658 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.4 CC1=NC(=NC=C1)Br B1240 [0,0,0,0,0,1|2,0,0]=3 51 B8R1.4 CC1=NC(=NC=C1)Cl 5673 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.4 CC1=NC=CC(=C1)N 6613 [0,0,0,0,0,1|2,0,0]=3 53 B8R1.4 Cc1ccnc(n1)N A0244 [0,0,0,0,0,1|2,0,0]=3 54 B8R1.4 Cc1ccnc(n1)O H0124 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.4 c1c(ncnc1O)O D0129 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [0,0,0,0,0,1|3,0,0]=4 59 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [0,0,0,0,0,1|3,0,0]=4 63 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [0,0,0,0,0,1|3,0,0]=4 64 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [0,0,0,0,0,1|3,0,0]=4 68 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.5 C1=CN=C(C(=N1)N)Cl 8111 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.5 C1=CN=CC(=C1Br)Cl 6714 [0,0,0,0,0,1|3,0,0]=4 72 B8R1.5 C1=CN=CC(=C1Cl)Cl 6626 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.5 C1=CN=CC(=C1Cl)F 6867 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.5 C1=CN=CC(=C1I)F 8281 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.5 C1=CN=CC(=C1N)Br 9751 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.5 C1=CN=CC(=C1N)N 9425 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.5 CC1=C(C=CC=N1)Br 5675 [0,0,0,0,0,1|2,0,0]=3 78 B8R1.5 CC1=C(C=CC=N1)N 10626 [0,0,0,0,0,1|2,0,0]=3 79 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [0,0,0,0,0,1|2,0,0]=3 80 B8R1.5 CC1=C(C=NC=C1)Br 10003 [0,0,0,0,0,1|2,0,0]=3 81 B8R1.5 CC1=C(N=CC=C1)Br 8086 [0,0,0,0,0,1|2,0,0]=3 82 B8R1.5 CC1=CC=CC=C1Cl 5808 [0,0,0,0,0,1|3,0,0]=4 83 B8R1.5 CC1=CC=CC=C1I 5298 [0,0,0,0,0,1|3,0,0]=4 84 B8R1.5 CC1=NC=CN=C1C 10470 [0,0,0,0,0,1|1,0,0]=2 85 B5R1.1 C1=CNN=C1 9931 [2,0,0,0,0,0|2,0,0]=4 86 B5R1.1 C1=CON=C1 6747 [2,0,0,0,0,0|2,0,0]=4 87 B5R1.1 c1c[nH]nc1 P0008 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.1 C1=C(N=CS1)CCl 8519 [1,1,0,0,0,0|0,0,0]=2 89 B7R1.1 C1=CSC(=C1)C#N 6398 [1,1,0,0,0,0|1,0,1]=4 90 B7R1.1 C1=CSC(=C1)CN 6832 [1,1,0,0,0,0|1,0,0]=3 91 B7R1.1 C1=CSC=C1C#N 8541 [1,1,0,0,0,0|1,0,1]=4 92 B7R1.1 CCN1C=CC=N1 8885 [1,1,0,0,0,0|2,0,0]=4 93 B7R1.1 c1cc(oc1)CN F0590 [1,1,0,0,0,0|1,1,0]=4 94 B7R1.1 c1cc(sc1)C=O T0002 [1,1,0,0,0,0|1,0,1]=4 95 B7R1.1 o1c(ccc1)CN F0591 [1,1,0,0,0,0|1,1,0]=4 96 B7R1.2 C1(=NN=C(S1)Br)N 9502 [1,1,0,0,0,0|2,0,0]=4 97 B7R1.2 C1(=NNC(=S)S1)N 10184 [1,1,0,0,0,0|2,0,0]=4 98 B7R1.2 C1=C(N=C(S1)Br)Br 9503 [1,1,0,0,0,0|1,0,0]=3 99 B7R1.2 C1=C(SC(=C1)Cl)Cl 6132 [1,1,0,0,0,0|2,0,0]=4 100 B7R1.2 CC1=CC(=NN1)C 10496 [1,1,0,0,0,0|2,0,0]=4 101 B7R1.2 CC1=CC(=NO1)C 9870 [1,1,0,0,0,0|2,0,0]=4 102 B7R1.2 CC1=CC=C(S1)Br 6601 [1,1,0,0,0,0|1,0,0]=3 103 B7R1.2 CC1=CSC(=N1)C 6124 [1,1,0,0,0,0|0,0,0]=2 104 B7R1.2 CC1=CSC(=N1)N 9596 [1,1,0,0,0,0|0,0,0]=2 105 B7R1.2 CC1=NNC(=S)S1 9556 [1,1,0,0,0,0|1,0,1]=4 106 B7R1.2 CC1=NSC(=N1)N 9028 [1,1,0,0,0,0|1,0,0]=3 107 B7R1.2 CN1C=CC(=N1)N 6616 [1,1,0,0,0,0|2,0,0]=4 108 B7R1.2 CN1C=CC(=N1)N 9450 [1,1,0,0,0,0|2,0,0]=4 109 B7R1.2 Cc1cc(n[nH]1)C D0196 [1,1,0,0,0,0|2,0,0]=4 110 B7R1.2 Cc1csc(n1)C D0198 [1,1,0,0,0,0|0,0,0]=2 111 B9R1.2 C1=CN=C(C=C1CO)Br 8980 [0,1,0,0,0,1|2,0,0]=4 112 B9R1.2 C1=CN=C(C=C1Cl)CO 9975 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.2 CC1=NC(=NC=C1)SC 8077 [0,1,0,0,0,1|1,0,0]=3 115 B9R1.2 COC1=NC(=NC=C1)Cl 8785 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.3 CC1=C(C(=CC=C1)C)Br 8575 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.3 CC1=C(C(=CC=C1)C)O 5710 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.3 CC1=C(C(=NC=C1)Cl)N 5231 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.34 CC1=CC(=CC(=C1)Br)C 6396 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.34 CC1=CC(=CC(=C1)Br)C 8945 [0,1,0,0,0,1|2,0,0]=4 121 B9R1.34 CC1=CC(=CC(=C1)C)C 5777 [0,1,0,0,0,1|2,0,0]=4 122 B9R1.34 CC1=CC(=CC(=C1)I)C 9209 [0,1,0,0,0,1|2,0,0]=4 123 B9R1.34 CC1=CC(=NC(=N1)Cl)C 9808 [0,1,0,0,0,1|1,0,0]=3 124 B9R1.34 CC1=CC(=NC(=N1)Cl)Cl 8104 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.34 CC1=CC(=NC(=S)N1)C 6651 [0,1,0,0,0,1|1,0,0]=3 126 B9R1.34 CC1=CC(=NC(=S)N1)C 8595 [0,1,0,0,0,1|1,0,0]=3 127 B9R1.34 CC1=CC(=O)C=C(N1)C 6464 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.69 CC1=CC(=C(C=C1)I)C 9318 [0,1,0,0,0,1|2,0,0]=4 129 B9R1.69 CC1=CC(=NC=C1Br)Br 8455 [0,1,0,0,0,1|2,0,0]=4 130 B9R1.69 CC1=NC(=C(C=C1)Br)C 6834 [0,1,0,0,0,1|2,0,0]=4 131 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [0,1,0,0,0,1|2,0,0]=4 132 B9R1.15 CC1=CC=CC=C1CO 6723 [0,1,0,0,0,1|2,0,0]=4 133 B9R1.15 COC1=C(C=CC=N1)N 6512 [0,1,0,0,0,1|2,0,0]=4 134 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [0,1,0,0,0,1|2,0,0]=4 135 B9R1.41 CC1=C(SC=N1)C(=O)O 8869 [0,2,0,0,0,0|0,0,1]=3