0 B6R1.2 C1=C(C=NN1)Br 6650 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.2 C1=C(C=NN1)Cl 5689 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 C1=C(C=NN1)I 10066 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.2 C1=C(C=NN1)I 5132 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.2 C1=C(N=CS1)Br 9723 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 C1=C(NC=N1)Br 10481 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 C1=C(NN=C1)N 5250 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 C1=CON=C1N 6722 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 C1=CSC(=C1)Br 5377 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 C1=CSC(=C1)Cl 9477 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 C1=CSC(=C1)I 9486 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 C1=CSC=C1Cl 9478 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 C1=NN=C(S1)N 5215 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 C1=NNC(=N1)Br 5082 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 C1CC(=O)C=C1 9804 [0,0,0,0,0,0|3,0,1]=4 15 B6R1.2 CC1=CC=CS1 8742 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 CC1=CC=NN1 8083 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 CC1=CN=CN1 9563 [0,0,0,0,0,0|2,0,0]=2 18 B6R1.2 CC1=CSC=N1 8929 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 CN1C=NC=N1 8972 [0,0,0,0,0,0|3,0,0]=3 20 B6R1.2 Cc1cccs1 M0049 [0,0,0,0,0,0|3,0,0]=3 21 B5R1.1 C1=CNN=C1 9931 [1,0,0,0,0,0|0,0,0]=1 22 B5R1.1 C1=CON=C1 6747 [1,0,0,0,0,0|1,0,0]=2 23 B5R1.1 c1c[nH]nc1 P0008 [1,0,0,0,0,0|0,0,0]=1 24 B7R1.1 C1=C(N=CS1)CCl 8519 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.1 C1=CSC(=C1)CN 6832 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.1 C1=CSC=C1C#N 8541 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 c1cc(oc1)CN F0590 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.1 o1c(ccc1)CN F0591 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.2 CC1=CC(=NN1)C 10496 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.2 CC1=CC(=NO1)C 9870 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.2 CC1=CC(=O)NO1 9631 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.2 CC1=CC=C(S1)Br 6601 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1=CSC(=N1)C 6124 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=CSC(=N1)N 9596 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.2 CC1=NNC(=S)S1 9556 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.2 CN1C=CC(=N1)N 6616 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.2 CN1C=CC(=N1)N 9450 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 Cc1cc(n[nH]1)C D0196 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.2 Cc1csc(n1)C D0198 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.4 C1=C(C(=CS1)Br)Br 5997 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.4 C1=NNC(=C1Br)N 8168 [0,1,0,0,0,0|1,0,0]=2 42 B7R1.4 CC1=C(C=NN1)Br 6719 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.4 CC1=C(SC=C1)Br 5664 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.4 CC1=C(SC=N1)C 5281 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.4 CC1=CC=NN1C 5243 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.3 C1=C(C=NC=N1)Br 5441 [0,0,0,0,0,1|1,0,1]=3 47 B7R1.3 C1=C(C=NC=N1)N 10659 [0,0,0,0,0,1|1,0,1]=3 48 B7R1.3 C1=CC(=CN=C1)N 9511 [0,0,0,0,0,1|2,0,0]=3 49 B7R1.3 C1=CC(=CN=C1)O 6695 [0,0,0,0,0,1|2,0,0]=3 50 B7R1.3 C1=CC(=CN=C1)O 6696 [0,0,0,0,0,1|2,0,0]=3 51 B7R1.3 C1=CC=C(C=C1)F 5387 [0,0,0,0,0,1|3,0,0]=4 52 B7R1.3 C1=CC=C(C=C1)O 5847 [0,0,0,0,0,1|3,0,0]=4 53 B7R1.3 C1=CC=NC(=C1)Br 6647 [0,0,0,0,0,1|3,0,0]=4 54 B7R1.3 C1=CN=C(C=N1)Cl 5278 [0,0,0,0,0,1|2,0,0]=3 55 B7R1.3 C1=CN=C(C=N1)N 6677 [0,0,0,0,0,1|2,0,0]=3 56 B7R1.3 C1=CN=CN=C1N 6491 [0,0,0,0,0,1|2,0,0]=3 57 B7R1.3 CC1=CN=CC=C1 8633 [0,0,0,0,0,1|1,0,0]=2 58 B7R1.3 c1c(cncn1)Br B0314 [0,0,0,0,0,1|1,0,1]=3 59 B7R1.3 c1ccc(cc1)F B0042 [0,0,0,0,0,1|3,0,0]=4 60 B7R1.3 c1ccnc(c1)Br B0025 [0,0,0,0,0,1|3,0,0]=4 61 B4R0.1 C(=NN)(N)N 8253 [1,0,1,0,0,0|2,0,0]=4 62 B8R1.2 C1=CC(=CN=C1)CCl 5990 [0,1,0,0,0,1|1,0,0]=3 63 B8R1.2 C1=CC(=CN=C1)CN 10146 [0,1,0,0,0,1|1,0,0]=3 64 B8R1.2 C1=CC(=CN=C1)CO 8600 [0,1,0,0,0,1|1,0,0]=3 65 B8R1.2 C1=CC=NC(=C1)CCl 10463 [0,1,0,0,0,1|2,0,0]=4 66 B8R1.2 C1=CC=NC(=C1)CN 5496 [0,1,0,0,0,1|2,0,0]=4 67 B8R1.2 C1=CN=C(C=N1)C#N 6122 [0,1,0,0,0,1|1,0,1]=4 68 B8R1.2 C1=CN=CC=C1CCl 8451 [0,1,0,0,0,1|1,0,0]=3 69 B8R1.2 COC1=CC=CC=N1 9619 [0,1,0,0,0,1|2,0,0]=4 70 B8R1.2 COC1=CC=NC=C1 10117 [0,1,0,0,0,1|1,0,0]=3 71 B8R1.2 c1cnccc1C=O P0128 [0,1,0,0,0,1|1,0,1]=4 72 B8R1.2 c1cnccc1C=O P0128 [0,1,0,0,0,1|1,0,1]=4 73 B8R1.3 C1=C(C=NC(=N1)Cl)Br 5202 [0,1,0,0,0,1|1,0,1]=4 74 B8R1.3 C1=C(C=NC(=N1)Cl)Br 9321 [0,1,0,0,0,1|1,0,1]=4 75 B8R1.3 C1=C(C=NC(=N1)Cl)F 6642 [0,1,0,0,0,1|1,0,1]=4 76 B8R1.3 C1=C(C=NC(=N1)I)Br 10468 [0,1,0,0,0,1|1,0,1]=4 77 B8R1.3 C1=C(C=NC(=N1)N)Br 10687 [0,1,0,0,0,1|1,0,1]=4 78 B8R1.3 C1=C(C=NC(=N1)N)Cl 5105 [0,1,0,0,0,1|1,0,1]=4 79 B8R1.3 C1=C(C=NC(=O)N1)Br 10164 [0,1,0,0,0,1|1,0,0]=3 80 B8R1.3 C1=C(N=CC(=N1)Br)Br 6735 [0,1,0,0,0,1|2,0,0]=4 81 B8R1.3 C1=CC(=NC=C1Br)Br 5443 [0,1,0,0,0,1|2,0,0]=4 82 B8R1.3 C1=CC(=NC=C1Br)Cl 9228 [0,1,0,0,0,1|2,0,0]=4 83 B8R1.3 C1=CC(=NC=C1Br)I 9334 [0,1,0,0,0,1|2,0,0]=4 84 B8R1.3 C1=CC(=NC=C1Br)N 10514 [0,1,0,0,0,1|2,0,0]=4 85 B8R1.3 C1=CC(=NC=C1Cl)Br 6467 [0,1,0,0,0,1|2,0,0]=4 86 B8R1.3 C1=CC(=NC=C1Cl)N 8218 [0,1,0,0,0,1|2,0,0]=4 87 B8R1.3 C1=CC(=NC=C1F)Br 10006 [0,1,0,0,0,1|2,0,0]=4 88 B8R1.3 C1=CC(=NC=C1F)Br 6615 [0,1,0,0,0,1|2,0,0]=4 89 B8R1.3 C1=CC(=NC=C1F)Cl 9957 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.3 C1=CC(=NC=C1F)F 5247 [0,1,0,0,0,1|2,0,0]=4 91 B8R1.3 C1=CC(=NC=C1F)N 10320 [0,1,0,0,0,1|2,0,0]=4 92 B8R1.3 C1=CC(=NC=C1I)Br 9940 [0,1,0,0,0,1|2,0,0]=4 93 B8R1.3 C1=CC(=NC=C1I)Cl 5225 [0,1,0,0,0,1|2,0,0]=4 94 B8R1.3 C1=CC(=NC=C1I)N 5110 [0,1,0,0,0,1|2,0,0]=4 95 B8R1.3 C1=CC(=NC=C1O)Br 10436 [0,1,0,0,0,1|2,0,0]=4 96 B8R1.3 C1=CC(=NC=C1O)Cl 9958 [0,1,0,0,0,1|2,0,0]=4 97 B8R1.3 C1=CC(=O)NC=C1Br 8266 [0,1,0,0,0,1|2,0,0]=4 98 B8R1.3 C1=CC(=O)NC=C1Cl 10450 [0,1,0,0,0,1|2,0,0]=4 99 B8R1.3 C1=CC(=O)NC=C1F 8617 [0,1,0,0,0,1|2,0,0]=4 100 B8R1.3 CC1=CN=C(C=C1)Br 9393 [0,1,0,0,0,1|1,0,0]=3 101 B8R1.3 CC1=CN=C(C=C1)F 5449 [0,1,0,0,0,1|1,0,0]=3 102 B8R1.3 CC1=CNC(=O)C=C1 9951 [0,1,0,0,0,1|1,0,0]=3 103 B8R1.3 CC1=NC=C(C=C1)Br 5076 [0,1,0,0,0,1|2,0,0]=4 104 B8R1.3 CC1=NC=C(C=C1)N 10240 [0,1,0,0,0,1|2,0,0]=4 105 B8R1.3 c1c(cnc(n1)F)Br B1994 [0,1,0,0,0,1|1,0,1]=4 106 B8R1.3 c1c(cnc(n1)N)Br A0051 [0,1,0,0,0,1|1,0,1]=4 107 B8R1.4 C1=C(C=NC=C1Br)Br 5217 [0,1,0,0,0,1|2,0,0]=4 108 B8R1.4 C1=C(C=NC=C1Br)F 5671 [0,1,0,0,0,1|2,0,0]=4 109 B8R1.4 C1=C(C=NC=C1Br)O 10431 [0,1,0,0,0,1|2,0,0]=4 110 B8R1.4 C1=C(C=NC=C1Cl)Cl 10175 [0,1,0,0,0,1|2,0,0]=4 111 B8R1.4 C1=C(C=NC=C1Cl)F 8265 [0,1,0,0,0,1|2,0,0]=4 112 B8R1.4 C1=C(C=NC=C1F)F 5685 [0,1,0,0,0,1|2,0,0]=4 113 B8R1.4 C1=C(C=NC=C1F)N 6698 [0,1,0,0,0,1|2,0,0]=4 114 B8R1.4 C1=C(N=C(C=N1)Cl)Cl 6123 [0,1,0,0,0,1|2,0,0]=4 115 B8R1.4 C1=CN=C(C=C1Br)Br 5241 [0,1,0,0,0,1|2,0,0]=4 116 B8R1.4 C1=CN=C(C=C1Br)Cl 8808 [0,1,0,0,0,1|2,0,0]=4 117 B8R1.4 C1=CN=C(C=C1Br)F 6500 [0,1,0,0,0,1|2,0,0]=4 118 B8R1.4 C1=CN=C(C=C1Br)N 8459 [0,1,0,0,0,1|2,0,0]=4 119 B8R1.4 C1=CN=C(C=C1Cl)Cl 5661 [0,1,0,0,0,1|2,0,0]=4 120 B8R1.4 C1=CN=C(C=C1I)F 8362 [0,1,0,0,0,1|2,0,0]=4 121 B8R1.4 C1=CN=C(C=C1N)Br 9320 [0,1,0,0,0,1|2,0,0]=4 122 B8R1.4 C1=CN=C(C=C1N)Cl 5451 [0,1,0,0,0,1|2,0,0]=4 123 B8R1.4 C1=CN=C(N=C1N)Cl 6711 [0,1,0,0,0,1|2,0,0]=4 124 B8R1.4 C1=CN=C(N=C1N)N 9571 [0,1,0,0,0,1|2,0,0]=4 125 B8R1.4 C1=CNC(=O)C=C1O 10547 [0,1,0,0,0,1|2,0,0]=4 126 B8R1.4 C1=NNC(=O)NC1=O 5252 [0,1,0,0,0,1|1,0,0]=3 127 B8R1.4 CC1=CC(=CC=C1)Br 9432 [0,1,0,0,0,1|2,0,0]=4 128 B8R1.4 CC1=CC(=CC=C1)I 8771 [0,1,0,0,0,1|2,0,0]=4 129 B8R1.4 CC1=CC(=CN=C1)N 8645 [0,1,0,0,0,1|1,0,0]=3 130 B8R1.4 CC1=CC(=NC=C1)Br 9012 [0,1,0,0,0,1|1,0,0]=3 131 B8R1.4 CC1=CC(=NC=C1)Cl 5069 [0,1,0,0,0,1|1,0,0]=3 132 B8R1.4 CC1=CC(=NC=C1)F 5561 [0,1,0,0,0,1|1,0,0]=3 133 B8R1.4 CC1=CC(=NC=C1)F 6308 [0,1,0,0,0,1|1,0,0]=3 134 B8R1.4 CC1=NC(=CC=C1)Br 5660 [0,1,0,0,0,1|2,0,0]=4 135 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [0,1,0,0,0,1|2,0,0]=4 136 B8R1.4 CC1=NC(=CC=C1)F 9658 [0,1,0,0,0,1|2,0,0]=4 137 B8R1.4 CC1=NC(=NC=C1)Br B1240 [0,1,0,0,0,1|1,0,0]=3 138 B8R1.4 CC1=NC(=NC=C1)Cl 5673 [0,1,0,0,0,1|1,0,0]=3 139 B8R1.4 CC1=NC=CC(=C1)N 6613 [0,1,0,0,0,1|2,0,0]=4 140 B8R1.4 Cc1ccnc(n1)N A0244 [0,1,0,0,0,1|1,0,0]=3 141 B8R1.4 Cc1ccnc(n1)O H0124 [0,1,0,0,0,1|1,0,0]=3 142 B8R1.4 c1c(ncnc1O)O D0129 [0,1,0,0,0,1|2,0,0]=4 143 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [0,1,0,0,0,1|2,0,0]=4 144 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [0,1,0,0,0,1|2,0,0]=4 145 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [0,1,0,0,0,1|2,0,0]=4 146 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [0,1,0,0,0,1|2,0,0]=4 147 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [0,1,0,0,0,1|2,0,0]=4 148 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [0,1,0,0,0,1|2,0,0]=4 149 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [0,1,0,0,0,1|2,0,0]=4 150 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [0,1,0,0,0,1|2,0,0]=4 151 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [0,1,0,0,0,1|2,0,0]=4 152 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [0,1,0,0,0,1|2,0,0]=4 153 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [0,1,0,0,0,1|2,0,0]=4 154 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [0,1,0,0,0,1|2,0,0]=4 155 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [0,1,0,0,0,1|2,0,0]=4 156 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [0,1,0,0,0,1|2,0,0]=4 157 B8R1.5 C1=CN=C(C(=N1)N)Cl 8111 [0,1,0,0,0,1|2,0,0]=4 158 B8R1.5 C1=CN=CC(=C1Br)Cl 6714 [0,1,0,0,0,1|2,0,0]=4 159 B8R1.5 C1=CN=CC(=C1Cl)Cl 6626 [0,1,0,0,0,1|2,0,0]=4 160 B8R1.5 C1=CN=CC(=C1Cl)F 6867 [0,1,0,0,0,1|2,0,0]=4 161 B8R1.5 C1=CN=CC(=C1I)F 8281 [0,1,0,0,0,1|2,0,0]=4 162 B8R1.5 C1=CN=CC(=C1N)Br 9751 [0,1,0,0,0,1|2,0,0]=4 163 B8R1.5 C1=CN=CC(=C1N)N 9425 [0,1,0,0,0,1|2,0,0]=4 164 B8R1.5 C1=CNC=C(C1=O)N 9533 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.5 CC1=C(C=CC=N1)Br 5675 [0,1,0,0,0,1|2,0,0]=4 166 B8R1.5 CC1=C(C=CC=N1)N 10626 [0,1,0,0,0,1|2,0,0]=4 167 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [0,1,0,0,0,1|1,0,0]=3 168 B8R1.5 CC1=C(C=NC=C1)Br 10003 [0,1,0,0,0,1|1,0,0]=3 169 B8R1.5 CC1=C(N=CC=C1)Br 8086 [0,1,0,0,0,1|1,0,0]=3 170 B8R1.5 CC1=CC=CC=C1Cl 5808 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.5 CC1=CC=CC=C1I 5298 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.5 CC1=NC=CN=C1C 10470 [0,1,0,0,0,1|1,0,0]=3 173 B8R1.5 c1c(c(cnn1)Cl)Cl D1249 [0,1,0,0,0,1|1,0,1]=4 174 B8R1.1 C1=C(SC(=N1)Cl)CCl 9706 [0,2,0,0,0,0|2,0,0]=4 175 B8R1.1 CC1=NOC(=C1)CO M0741 [0,2,0,0,0,0|2,0,0]=4 176 B8R1.1 CN1C=C(C=N1)C=O 8131 [0,2,0,0,0,0|0,0,1]=3 177 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [0,2,0,0,0,0|0,0,1]=3 178 B8R1.7 C1=C(C=NN1)[N+](=O)[O-] 9369 [0,2,0,0,0,0|1,0,0]=3 179 B8R1.8 C1=C(NC=N1)CCN 8849 [0,2,0,0,0,0|2,0,0]=4 180 B8R1.11 C1=NNC(=C1Cl)C=O 9704 [0,2,0,0,0,0|1,0,0]=3 181 B8R1.11 CN1C=CN=C1CO 10537 [0,2,0,0,0,0|2,0,0]=4 182 B8R1.50 CC1=C(C(=NO1)C)I 5030 [0,2,0,0,0,0|2,0,0]=4 183 B6R1.1 C1=CC=NC=C1 8793 [0,0,1,1,0,0|1,0,1]=4 184 B6R1.1 C1=CC=NN=C1 6802 [0,0,1,1,0,0|0,0,2]=4 185 B6R1.1 C1=CN=CC=N1 6118 [0,0,1,1,0,0|2,0,0]=4 186 B6R1.1 C1=CN=CC=N1 8999 [0,0,1,1,0,0|2,0,0]=4