0 B9R1.69 BrC1=CN=C(Br)C=C1Br 36286 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.69 BrC1=CN=C(Br)C=C1I 34489 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.69 CC1=C(F)C=CC(Br)=C1 1599 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=C(F)C=CC(Br)=N1 1135 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 CC1=C(F)C=CC(Cl)=C1 1609 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=C(F)C=CC(Cl)=N1 6219 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 CC1=C(F)C=CC(F)=C1 1613 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 CC1=C(F)C=CC(I)=C1 1619 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 CC1=C(F)C=CC(N)=C1 1513 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 CC1=C(F)C=CC(N)=N1 26666 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 CC1=C(F)C=CC(O)=C1 1501 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 CC1=C(N)C=C(Br)C=C1 3801 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 CC1=C(N)C=C(Cl)C=C1 14280 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 CC1=C(N)C=C(Cl)C=C1 35457 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 CC1=C(N)C=C(F)C=C1 1512 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 CC1=C(N)C=C(I)C=C1 31023 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 CC1=C(N)C=C(N)C=C1 21656 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 CC1=C(N)C=C(O)C=C1 4524 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.69 CC1=C(N)C=NC(F)=C1 17516 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 CC1=CC(=O)C=CC1=O 14604 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 CC1=CC(Br)=C(F)C=C1 1600 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 CC1=CC(Br)=C(O)C=N1 30312 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 CC1=CC(Br)=NC=C1Br 2411 [0,0,0,0,0,0|3,1,0]=4 23 B9R1.69 CC1=CC(Br)=NC=C1N 5960 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 CC1=CC(C)=C(N)C=N1 25045 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 CC1=CC(Cl)=C(F)C=C1 3436 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 CC1=CC(Cl)=NC=C1Br 6207 [0,0,0,0,0,0|3,1,0]=4 27 B9R1.69 CC1=CC(Cl)=NC=C1Cl 15130 [0,0,0,0,0,0|3,1,0]=4 28 B9R1.69 CC1=CC(Cl)=NC=C1F 10460 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.69 CC1=CC(Cl)=NC=C1I 13517 [0,0,0,0,0,0|3,1,0]=4 30 B9R1.69 CC1=CC(Cl)=NC=C1N 6206 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.69 CC1=CC(F)=C(F)C=C1 1615 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 CC1=CC(F)=NC=C1Br 3547 [0,0,0,0,0,0|3,1,0]=4 33 B9R1.69 CC1=CC(F)=NC=C1Cl 15262 [0,0,0,0,0,0|3,1,0]=4 34 B9R1.69 CC1=CC(F)=NC=C1I 13514 [0,0,0,0,0,0|3,1,0]=4 35 B9R1.69 CC1=CC(I)=C(F)C=C1 1623 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 CC1=CC(N)=C(Br)C=C1 4337 [0,0,0,0,0,0|3,1,0]=4 37 B9R1.69 CC1=CC(N)=C(Cl)C=C1 18921 [0,0,0,0,0,0|3,1,0]=4 38 B9R1.69 CC1=CC(N)=C(F)C=C1 1507 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.69 CC1=CC(N)=C(I)C=C1 20232 [0,0,0,0,0,0|3,1,0]=4 40 B9R1.69 CC1=CC(N)=C(N)C=C1 19699 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.69 CC1=CC(N)=C(N)C=N1 17738 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.69 CC1=CC(N)=C(S)C=C1 24155 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.69 CC1=CC(N)=NC=C1Br 2241 [0,0,0,0,0,0|3,1,0]=4 44 B9R1.69 CC1=CC(N)=NC=C1Cl 5717 [0,0,0,0,0,0|3,1,0]=4 45 B9R1.69 CC1=CC(N)=NC=C1F 1256 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.69 CC1=CC(N)=NC=C1I 9289 [0,0,0,0,0,0|3,1,0]=4 47 B9R1.69 CC1=CC(N)=NC=C1N 5494 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 CC1=CC(O)=C(F)C=C1 1498 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.69 CC1=CC(O)=NC=C1Br 6564 [0,0,0,0,0,0|2,1,1]=4 50 B9R1.69 CC1=CC(O)=NC=C1N 6706 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.69 CC1=CC=C(Br)C(N)=N1 1235 [0,0,0,0,0,0|2,1,1]=4 52 B9R1.69 CC1=CC=C(Br)N=C1N 31947 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.69 CC1=CC=C(F)C(Br)=N1 3001 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.69 CC1=CC=C(F)C(Cl)=N1 1137 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.69 CC1=CC=C(I)C(N)=N1 17046 [0,0,0,0,0,0|2,1,1]=4 56 B9R1.69 CC1=CC=C(N)C(N)=N1 5393 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.69 CC1=CC=C(O)C(N)=N1 5622 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.69 CC1=CN=C(C)C=C1Br 45193 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.69 CC1=CN=C(C)N=C1O 26180 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.69 CC1=CN=C(Cl)C=C1Cl 5464 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.69 CC1=CN=C(Cl)C=C1I 27337 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.69 CC1=CN=C(Cl)N=C1Cl 5288 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.69 CC1=CN=C(Cl)N=C1N 14612 [0,0,0,0,0,0|2,0,1]=3 64 B9R1.69 CC1=CN=C(F)C=C1Br 36220 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.69 CC1=CN=C(F)C=C1I 1305 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.69 CC1=CN=C(N)NC1=O 34226 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.69 CC1=CN=C(O)N=C1O 9313 [0,0,0,0,0,0|2,0,2]=4 68 B9R1.69 CC1=NC(Br)=NC=C1Br 27842 [0,0,0,0,0,0|2,1,1]=4 69 B9R1.69 CC1=NC(Br)=NC=C1N 34805 [0,0,0,0,0,0|3,0,1]=4 70 B9R1.69 CC1=NC(Cl)=NC=C1F 23794 [0,0,0,0,0,0|2,0,1]=3 71 B9R1.69 CC1=NC(N)=NC=C1Br 21500 [0,0,0,0,0,0|2,1,1]=4 72 B9R1.69 CC1=NC=C(Br)C(Cl)=C1 6670 [0,0,0,0,0,0|3,1,0]=4 73 B9R1.69 CC1=NC=C(F)C(Cl)=C1 6671 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.69 CC1=NC=C(N)C(C)=N1 22767 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.69 CN1C=CC(=O)NC1=S 26429 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 ClC1=CC(Cl)=NC=C1Br 13542 [0,0,0,0,0,0|3,1,0]=4 77 B9R1.69 ClC1=CC(Cl)=NC=C1I 13544 [0,0,0,0,0,0|3,1,0]=4 78 B9R1.69 ClC1=CN=C(Cl)C=C1Br 13541 [0,0,0,0,0,0|3,1,0]=4 79 B9R1.69 ClC1=CN=C(Cl)C=C1Cl 22309 [0,0,0,0,0,0|3,1,0]=4 80 B9R1.69 ClC1=CN=C(Cl)C=C1I 13546 [0,0,0,0,0,0|3,1,0]=4 81 B9R1.69 ClC1=CN=C(Cl)N=C1Cl 5302 [0,0,0,0,0,0|2,1,1]=4 82 B9R1.69 ClC1=NC=C(Br)C(Cl)=N1 3993 [0,0,0,0,0,0|2,1,1]=4 83 B9R1.69 ClC1=NC=C(I)C(Cl)=N1 13936 [0,0,0,0,0,0|2,1,1]=4 84 B9R1.69 FC1=C(Br)C=C(Br)C=C1 3446 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.69 FC1=C(Br)C=C(Cl)C=C1 3210 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.69 FC1=C(Br)C=C(I)C=C1 13485 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 FC1=C(Cl)C=C(Br)C=C1 2169 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.69 FC1=C(Cl)C=C(Cl)C=C1 2312 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.69 FC1=C(Cl)C=C(I)C=C1 3433 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.69 FC1=C(Cl)C=C(S)C=C1 2857 [0,0,0,0,0,0|3,1,0]=4 91 B9R1.69 FC1=C(F)C=C(Br)C=C1 2303 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.69 FC1=C(F)C=C(Cl)C=C1 3417 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.69 FC1=C(F)C=C(I)C=C1 3461 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.69 FC1=C(F)C=C(S)C=C1 6772 [0,0,0,0,0,0|3,1,0]=4 95 B9R1.69 FC1=C(I)C=C(Br)C=C1 4294 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.69 FC1=C(I)C=C(Cl)C=C1 8538 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.69 FC1=CC(Br)=C(F)C=C1 2302 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.69 FC1=CC(Cl)=C(F)C=C1 8529 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.69 FC1=CC(F)=C(F)C=C1 1068 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.69 FC1=CC(I)=C(F)C=C1 4402 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.69 FC1=CC(S)=C(F)C=C1 6873 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.69 FC1=CC=C(Cl)C=C1F 4274 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.69 FC1=CC=C(Cl)N=C1Cl 15136 [0,0,0,0,0,0|3,0,1]=4 104 B9R1.69 FC1=CC=C(F)C(F)=N1 7955 [0,0,0,0,0,0|3,0,1]=4 105 B9R1.69 FC1=CN=C(Cl)C=C1Br 1282 [0,0,0,0,0,0|3,0,0]=3 106 B9R1.69 FC1=CN=C(Cl)C=C1I 6183 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.69 FC1=CN=C(Cl)N=C1Cl 5290 [0,0,0,0,0,0|2,0,1]=3 108 B9R1.69 FC1=CN=C(F)C=C1I 22303 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.69 FC1=CN=C(F)N=C1F 22310 [0,0,0,0,0,0|2,0,1]=3 110 B9R1.69 FC1=NC=C(Br)C(Cl)=C1 13550 [0,0,0,0,0,0|3,1,0]=4 111 B9R1.69 FC1=NC=C(Cl)C(I)=C1 6316 [0,0,0,0,0,0|3,1,0]=4 112 B9R1.69 FC1=NC=C(I)C(Cl)=C1 13548 [0,0,0,0,0,0|3,1,0]=4 113 B9R1.69 Fc1cc(F)c(F)cn1 22313 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.69 NC1=C(Br)C=CC(Br)=C1 3452 [0,0,0,0,0,0|3,1,0]=4 115 B9R1.69 NC1=C(Br)C=CC(Cl)=C1 3577 [0,0,0,0,0,0|3,1,0]=4 116 B9R1.69 NC1=C(Br)C=CC(F)=C1 1524 [0,0,0,0,0,0|3,1,0]=4 117 B9R1.69 NC1=C(Br)C=CC(O)=C1 32237 [0,0,0,0,0,0|2,1,1]=4 118 B9R1.69 NC1=C(Cl)C=CC(Cl)=C1 10755 [0,0,0,0,0,0|3,1,0]=4 119 B9R1.69 NC1=C(Cl)C=CC(F)=C1 1517 [0,0,0,0,0,0|3,1,0]=4 120 B9R1.69 NC1=C(F)C=CC(Br)=C1 13482 [0,0,0,0,0,0|3,0,0]=3 121 B9R1.69 NC1=C(F)C=CC(Br)=C1 5319 [0,0,0,0,0,0|3,0,0]=3 122 B9R1.69 NC1=C(F)C=CC(Cl)=C1 1515 [0,0,0,0,0,0|3,0,0]=3 123 B9R1.69 NC1=C(F)C=CC(F)=C1 1531 [0,0,0,0,0,0|3,0,0]=3 124 B9R1.69 NC1=C(F)C=CC(O)=C1 4776 [0,0,0,0,0,0|2,0,1]=3 125 B9R1.69 NC1=C(I)C=CC(Br)=C1 5332 [0,0,0,0,0,0|3,1,0]=4 126 B9R1.69 NC1=C(I)C=CC(Cl)=C1 5286 [0,0,0,0,0,0|3,1,0]=4 127 B9R1.69 NC1=C(I)C=CC(F)=C1 1535 [0,0,0,0,0,0|3,1,0]=4 128 B9R1.69 NC1=C(N)C=C(Br)C=C1 4315 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.69 NC1=C(N)C=C(Cl)C=C1 4350 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.69 NC1=C(N)C=C(Cl)N=C1 9342 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.69 NC1=C(N)C=C(I)C=C1 28451 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.69 NC1=C(O)C=CC(Br)=C1 4511 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.69 NC1=C(O)C=CC(F)=C1 2825 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.69 NC1=C(O)C=NC(Cl)=C1 24434 [0,0,0,0,0,0|3,0,0]=3 135 B9R1.69 NC1=C(S)C=CC(Cl)=C1 5427 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.69 NC1=CC(Br)=C(F)C=C1 2924 [0,0,0,0,0,0|4,0,0]=4 137 B9R1.69 NC1=CC(Br)=CC=C1Cl 3132 [0,0,0,0,0,0|3,1,0]=4 138 B9R1.69 NC1=CC(Br)=CN=C1F 1146 [0,0,0,0,0,0|4,0,0]=4 139 B9R1.69 NC1=CC(Cl)=C(F)C=C1 2951 [0,0,0,0,0,0|4,0,0]=4 140 B9R1.69 NC1=CC(Cl)=CN=C1F 1150 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.69 NC1=CC(Cl)=NC=C1Br 19507 [0,0,0,0,0,0|2,1,0]=3 142 B9R1.69 NC1=CC(Cl)=NC=C1F 45001 [0,0,0,0,0,0|2,0,0]=2 143 B9R1.69 NC1=CC(Cl)=NC=C1I 36428 [0,0,0,0,0,0|2,1,0]=3 144 B9R1.69 NC1=CC(F)=C(F)C=C1 2295 [0,0,0,0,0,0|4,0,0]=4 145 B9R1.69 NC1=CC(N)=C(Br)C=C1 27515 [0,0,0,0,0,0|3,1,0]=4 146 B9R1.69 NC1=CC(N)=C(F)C=C1 2538 [0,0,0,0,0,0|3,0,0]=3 147 B9R1.69 NC1=CC(N)=NC=C1Br 23225 [0,0,0,0,0,0|2,1,0]=3 148 B9R1.69 NC1=CC=C(Cl)N=C1N 19958 [0,0,0,0,0,0|3,0,1]=4 149 B9R1.69 NC1=CC=C(F)C=C1N 4357 [0,0,0,0,0,0|4,0,0]=4 150 B9R1.69 NC1=CN=C(Cl)C=C1Cl 17045 [0,0,0,0,0,0|4,0,0]=4 151 B9R1.69 NC1=CN=C(Cl)C=C1O 24435 [0,0,0,0,0,0|4,0,0]=4 152 B9R1.69 NC1=CN=C(Cl)N=C1Cl 21459 [0,0,0,0,0,0|3,0,1]=4 153 B9R1.69 NC1=CN=C(Cl)N=C1N 9481 [0,0,0,0,0,0|2,0,1]=3 154 B9R1.69 NC1=NC(Cl)=CC=C1Cl 33640 [0,0,0,0,0,0|2,1,1]=4 155 B9R1.69 NC1=NC(Cl)=NC=C1Br 18570 [0,0,0,0,0,0|1,1,1]=3 156 B9R1.69 NC1=NC(Cl)=NC=C1Cl 18569 [0,0,0,0,0,0|1,1,1]=3 157 B9R1.69 NC1=NC(Cl)=NC=C1F 6930 [0,0,0,0,0,0|1,0,1]=2 158 B9R1.69 NC1=NC(O)=NC=C1Br 14986 [0,0,0,0,0,0|0,1,2]=3 159 B9R1.69 NC1=NC=C(Br)C(Cl)=C1 13538 [0,0,0,0,0,0|3,1,0]=4 160 B9R1.69 NC1=NC=C(Br)C(Cl)=N1 26602 [0,0,0,0,0,0|2,1,1]=4 161 B9R1.69 NC1=NC=C(Br)C(O)=N1 21810 [0,0,0,0,0,0|2,1,1]=4 162 B9R1.69 NC1=NC=C(Cl)C(Br)=C1 34734 [0,0,0,0,0,0|3,1,0]=4 163 B9R1.69 NC1=NC=C(Cl)C(Cl)=C1 19502 [0,0,0,0,0,0|3,1,0]=4 164 B9R1.69 NC1=NC=C(Cl)C(Cl)=N1 35918 [0,0,0,0,0,0|2,1,1]=4 165 B9R1.69 NC1=NC=C(Cl)C(I)=C1 35582 [0,0,0,0,0,0|3,1,0]=4 166 B9R1.69 NC1=NC=C(F)C(Cl)=N1 27292 [0,0,0,0,0,0|2,0,1]=3 167 B9R1.69 NC1=NC=C(I)C(Cl)=C1 15065 [0,0,0,0,0,0|3,1,0]=4 168 B9R1.69 NC1=NNC(=O)NC1=O 22939 [0,0,0,0,0,0|3,0,1]=4 169 B9R1.69 O=C1NC(Cl)=CC=C1Br 34301 [0,0,0,0,0,0|3,1,0]=4 170 B9R1.69 O=C1NC(Cl)=NC=C1Br 34886 [0,0,0,0,0,0|2,1,0]=3 171 B9R1.69 O=C1NC=C(Br)C(=O)N1 23771 [0,0,0,0,0,0|1,1,1]=3 172 B9R1.69 O=C1NC=C(Cl)C(=O)N1 14138 [0,0,0,0,0,0|1,1,1]=3 173 B9R1.69 O=C1NC=C(I)C(=O)N1 21474 [0,0,0,0,0,0|1,1,1]=3 174 B9R1.69 O=C1NN=C(Br)C(=O)N1 22937 [0,0,0,0,0,0|2,1,1]=4 175 B9R1.69 O=C1NN=C(S)C(=O)N1 15772 [0,0,0,0,0,0|3,0,1]=4 176 B9R1.69 OC1=C(F)C=CC(Br)=C1 1490 [0,0,0,0,0,0|4,0,0]=4 177 B9R1.69 OC1=C(F)C=CC(Cl)=C1 1492 [0,0,0,0,0,0|4,0,0]=4 178 B9R1.69 OC1=C(F)C=CC(F)=C1 3464 [0,0,0,0,0,0|4,0,0]=4 179 B9R1.69 OC1=C(F)C=CC(I)=C1 18134 [0,0,0,0,0,0|4,0,0]=4 180 B9R1.69 OC1=CC(Br)=C(F)C=C1 1486 [0,0,0,0,0,0|3,0,1]=4 181 B9R1.69 OC1=CC(Cl)=C(F)C=C1 2856 [0,0,0,0,0,0|3,0,1]=4 182 B9R1.69 OC1=CC(F)=C(F)C=C1 2315 [0,0,0,0,0,0|3,0,1]=4 183 B9R1.69 OC1=CC(I)=C(F)C=C1 33431 [0,0,0,0,0,0|3,0,1]=4 184 B9R1.69 OC1=CC(O)=C(F)C=C1 22656 [0,0,0,0,0,0|3,0,1]=4 185 B9R1.69 OC1=CC(O)=NC=C1Cl 19875 [0,0,0,0,0,0|2,1,1]=4 186 B9R1.69 OC1=CN=C(O)N=C1O 9614 [0,0,0,0,0,0|2,0,2]=4 187 B9R1.69 OC1=NC(Cl)=NC=C1F 7029 [0,0,0,0,0,0|2,0,1]=3 188 B9R1.69 OC1=NC=C(Cl)C(I)=C1 20389 [0,0,0,0,0,0|2,1,1]=4 189 B9R1.69 OC1=NC=C(F)C(Br)=C1 6559 [0,0,0,0,0,0|2,0,1]=3 190 B8R1.3 BrC1=CN=C(Br)C=C1 1111 [1,0,0,0,0,0|2,1,0]=4 191 B8R1.3 BrC1=CN=C(Br)N=C1 17477 [1,0,0,0,0,0|1,1,1]=4 192 B8R1.3 BrC1=CN=C(I)C=C1 2409 [1,0,0,0,0,0|2,1,0]=4 193 B8R1.3 BrC1=CN=C(I)N=C1 6900 [1,0,0,0,0,0|1,1,1]=4 194 B8R1.3 BrC1=NC=C(I)C=C1 5969 [1,0,0,0,0,0|2,1,0]=4 195 B8R1.3 BrC1=NC=C(I)C=N1 34786 [1,0,0,0,0,0|1,1,1]=4 196 B8R1.3 CC1=CC=C(F)C=C1 12887 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.3 CC1=CN=C(Br)C=C1 1185 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.3 CC1=CN=C(Br)N=C1 34383 [1,0,0,0,0,0|2,0,1]=4 199 B8R1.3 CC1=CN=C(C)C=C1 20994 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.3 CC1=CN=C(Cl)C=C1 1193 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.3 CC1=CN=C(Cl)N=C1 11095 [1,0,0,0,0,0|2,0,1]=4 202 B8R1.3 CC1=CN=C(F)C=C1 4059 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.3 CC1=CN=C(I)N=C1 34875 [1,0,0,0,0,0|2,0,1]=4 204 B8R1.3 CC1=CN=C(N)C=C1 1159 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.3 CC1=CN=C(O)C=C1 14321 [1,0,0,0,0,0|2,0,1]=4 206 B8R1.3 CC1=CN=C(O)C=C1 27251 [1,0,0,0,0,0|2,0,1]=4 207 B8R1.3 CC1=NC=C(Br)C=C1 4058 [1,0,0,0,0,0|2,1,0]=4 208 B8R1.3 CC1=NC=C(Br)C=N1 15231 [1,0,0,0,0,0|1,1,1]=4 209 B8R1.3 CC1=NC=C(Cl)C=C1 6694 [1,0,0,0,0,0|2,1,0]=4 210 B8R1.3 CC1=NC=C(F)C=C1 2224 [1,0,0,0,0,0|2,0,0]=3 211 B8R1.3 CC1=NC=C(I)C=C1 6698 [1,0,0,0,0,0|2,1,0]=4 212 B8R1.3 CC1=NC=C(N)C=C1 1280 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.3 CC1=NC=C(N)C=N1 22766 [1,0,0,0,0,0|2,0,1]=4 214 B8R1.3 CC1=NC=C(O)C=C1 6696 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.3 CC1=NC=C(O)C=N1 21855 [1,0,0,0,0,0|2,0,1]=4 216 B8R1.3 CC1=NNC(=O)C=C1 28171 [1,0,0,0,0,0|3,0,0]=4 217 B8R1.3 ClC1=CN=C(Br)C=C1 1169 [1,0,0,0,0,0|2,1,0]=4 218 B8R1.3 ClC1=CN=C(Br)N=C1 17481 [1,0,0,0,0,0|1,1,1]=4 219 B8R1.3 ClC1=CN=C(Cl)C=C1 1199 [1,0,0,0,0,0|2,1,0]=4 220 B8R1.3 ClC1=CN=C(Cl)N=C1 13600 [1,0,0,0,0,0|1,1,1]=4 221 B8R1.3 ClC1=CN=C(I)C=C1 6574 [1,0,0,0,0,0|2,1,0]=4 222 B8R1.3 ClC1=CN=C(I)N=C1 14957 [1,0,0,0,0,0|1,1,1]=4 223 B8R1.3 ClC1=NC=C(Br)C=C1 1168 [1,0,0,0,0,0|2,1,0]=4 224 B8R1.3 ClC1=NC=C(Br)C=N1 5159 [1,0,0,0,0,0|1,1,1]=4 225 B8R1.3 ClC1=NC=C(I)C=C1 2078 [1,0,0,0,0,0|2,1,0]=4 226 B8R1.3 ClC1=NC=C(I)C=N1 21488 [1,0,0,0,0,0|1,1,1]=4 227 B8R1.3 FC1=CC=C(Br)C=C1 2251 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.3 FC1=CC=C(Cl)C=C1 3420 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.3 FC1=CC=C(F)C=C1 2309 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.3 FC1=CC=C(I)C=C1 2103 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.3 FC1=CC=C(S)C=C1 5431 [1,0,0,0,0,0|2,1,0]=4 232 B8R1.3 FC1=CN=C(Br)C=C1 1099 [1,0,0,0,0,0|2,0,0]=3 233 B8R1.3 FC1=CN=C(Br)C=N1 27381 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.3 FC1=CN=C(Cl)C=C1 1097 [1,0,0,0,0,0|2,0,0]=3 235 B8R1.3 FC1=CN=C(Cl)N=C1 4684 [1,0,0,0,0,0|1,0,1]=3 236 B8R1.3 FC1=CN=C(F)C=C1 14398 [1,0,0,0,0,0|2,0,0]=3 237 B8R1.3 FC1=NC=C(Br)C=C1 3550 [1,0,0,0,0,0|2,1,0]=4 238 B8R1.3 FC1=NC=C(Br)C=N1 3589 [1,0,0,0,0,0|1,1,1]=4 239 B8R1.3 FC1=NC=C(Cl)C=C1 1186 [1,0,0,0,0,0|2,1,0]=4 240 B8R1.3 FC1=NC=C(I)C=C1 6324 [1,0,0,0,0,0|2,1,0]=4 241 B8R1.3 IC1=CN=C(I)C=C1 5524 [1,0,0,0,0,0|2,1,0]=4 242 B8R1.3 NC1=CC=C(F)C=C1 10782 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.3 NC1=CC=C(F)C=C1 5246 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.3 NC1=CN=C(Br)C=C1 1100 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.3 NC1=CN=C(Br)N=C1 24711 [1,0,0,0,0,0|2,0,1]=4 246 B8R1.3 NC1=CN=C(Cl)C=C1 2406 [1,0,0,0,0,0|3,0,0]=4 247 B8R1.3 NC1=CN=C(Cl)N=C1 6963 [1,0,0,0,0,0|2,0,1]=4 248 B8R1.3 NC1=CN=C(F)C=C1 1155 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.3 NC1=CN=C(I)C=C1 6572 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.3 NC1=CN=C(N)C=C1 13202 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.3 NC1=CN=C(N)C=C1 5497 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.3 NC1=CN=C(O)C=C1 14125 [1,0,0,0,0,0|2,0,1]=4 253 B8R1.3 NC1=CN=C(O)C=C1 6563 [1,0,0,0,0,0|2,0,1]=4 254 B8R1.3 NC1=NC=C(Br)C=C1 1107 [1,0,0,0,0,0|2,1,0]=4 255 B8R1.3 NC1=NC=C(Br)C=N1 6986 [1,0,0,0,0,0|1,1,1]=4 256 B8R1.3 NC1=NC=C(Cl)C=C1 1153 [1,0,0,0,0,0|2,1,0]=4 257 B8R1.3 NC1=NC=C(Cl)C=N1 9619 [1,0,0,0,0,0|1,1,1]=4 258 B8R1.3 NC1=NC=C(F)C=C1 1109 [1,0,0,0,0,0|2,0,0]=3 259 B8R1.3 NC1=NC=C(I)C=C1 2407 [1,0,0,0,0,0|2,1,0]=4 260 B8R1.3 NC1=NC=C(O)C=C1 5754 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.3 NC1=NC=C(O)C=N1 21503 [1,0,0,0,0,0|2,0,1]=4 262 B8R1.3 O=C1C=CC(=O)C=C1 14592 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.3 O=C1N=CC(Br)=CN1 6903 [1,0,0,0,0,0|0,1,0]=2 264 B8R1.3 OC1=CC=C(Br)N=C1 24844 [1,0,0,0,0,0|3,0,0]=4 265 B8R1.3 OC1=CC=C(F)C=C1 2314 [1,0,0,0,0,0|2,0,1]=4 266 B8R1.3 OC1=CN=C(Br)C=C1 5967 [1,0,0,0,0,0|3,0,0]=4 267 B8R1.3 OC1=CN=C(Cl)C=C1 2410 [1,0,0,0,0,0|3,0,0]=4 268 B8R1.3 OC1=CN=C(Cl)N=C1 10664 [1,0,0,0,0,0|2,0,1]=4 269 B8R1.3 OC1=CN=C(F)C=C1 6321 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.3 OC1=CN=C(O)C=C1 5522 [1,0,0,0,0,0|2,0,1]=4 271 B8R1.3 OC1=NC=C(Br)C=C1 1178 [1,0,0,0,0,0|1,1,1]=4 272 B8R1.3 OC1=NC=C(Br)C=N1 24602 [1,0,0,0,0,0|0,1,2]=4 273 B8R1.3 OC1=NC=C(Cl)C=C1 1187 [1,0,0,0,0,0|1,1,1]=4 274 B8R1.3 OC1=NC=C(Cl)C=N1 7009 [1,0,0,0,0,0|0,1,2]=4 275 B8R1.3 OC1=NC=C(F)C=C1 6566 [1,0,0,0,0,0|1,0,1]=3 276 B8R1.3 OC1=NC=C(I)C=C1 6567 [1,0,0,0,0,0|1,1,1]=4 277 B8R1.3 SC1=NC=C(Cl)C=C1 19566 [1,0,0,0,0,0|1,2,0]=4 278 B8R1.4 BrC1=CC(Br)=NC=C1 5452 [1,0,0,0,0,0|3,0,0]=4 279 B8R1.4 BrC1=CC(Br)=NC=C1 5453 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.4 BrC1=NC(Br)=NC=C1 6894 [1,0,0,0,0,0|2,0,1]=4 281 B8R1.4 BrC1=NC=CC(I)=C1 5956 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.4 CC1=CC(Br)=NC=C1 1184 [1,0,0,0,0,0|3,0,0]=4 283 B8R1.4 CC1=CC(C)=NC=C1 20508 [1,0,0,0,0,0|3,0,0]=4 284 B8R1.4 CC1=CC(Cl)=NC=C1 1192 [1,0,0,0,0,0|3,0,0]=4 285 B8R1.4 CC1=CC(F)=NC=C1 1203 [1,0,0,0,0,0|3,0,0]=4 286 B8R1.4 CC1=CC(I)=NC=C1 13513 [1,0,0,0,0,0|3,0,0]=4 287 B8R1.4 CC1=CC(N)=NC=C1 2238 [1,0,0,0,0,0|3,0,0]=4 288 B8R1.4 CC1=CC(O)=NC=C1 1206 [1,0,0,0,0,0|2,0,1]=4 289 B8R1.4 CC1=CC=CC(N)=N1 5922 [1,0,0,0,0,0|2,0,1]=4 290 B8R1.4 CC1=NC(Br)=NC=C1 7007 [1,0,0,0,0,0|2,0,1]=4 291 B8R1.4 CC1=NC(Cl)=NC=C1 6906 [1,0,0,0,0,0|2,0,1]=4 292 B8R1.4 CC1=NC(N)=NC=C1 6978 [1,0,0,0,0,0|2,0,1]=4 293 B8R1.4 CC1=NC(O)=NC=C1 22005 [1,0,0,0,0,0|1,0,2]=4 294 B8R1.4 CC1=NC(S)=NC=C1 21990 [1,0,0,0,0,0|1,1,1]=4 295 B8R1.4 CC1=NC=CC(Br)=C1 4035 [1,0,0,0,0,0|3,0,0]=4 296 B8R1.4 CC1=NC=CC(Cl)=C1 2071 [1,0,0,0,0,0|3,0,0]=4 297 B8R1.4 CC1=NC=CC(Cl)=N1 16387 [1,0,0,0,0,0|2,0,1]=4 298 B8R1.4 CC1=NC=CC(F)=C1 21038 [1,0,0,0,0,0|3,0,0]=4 299 B8R1.4 CC1=NC=CC(N)=C1 1118 [1,0,0,0,0,0|2,0,0]=3 300 B8R1.4 CC1=NC=CC(O)=C1 17657 [1,0,0,0,0,0|3,0,0]=4 301 B8R1.4 ClC1=CC(Br)=NC=C1 13533 [1,0,0,0,0,0|3,0,0]=4 302 B8R1.4 ClC1=CC(Cl)=NC=C1 3531 [1,0,0,0,0,0|3,0,0]=4 303 B8R1.4 ClC1=CC(I)=NC=C1 33538 [1,0,0,0,0,0|3,0,0]=4 304 B8R1.4 ClC1=NC(Br)=NC=C1 27256 [1,0,0,0,0,0|2,0,1]=4 305 B8R1.4 ClC1=NC(Cl)=NC=C1 4006 [1,0,0,0,0,0|2,0,1]=4 306 B8R1.4 ClC1=NC=CC(Br)=C1 1171 [1,0,0,0,0,0|3,0,0]=4 307 B8R1.4 ClC1=NC=CC(Br)=N1 27431 [1,0,0,0,0,0|2,0,1]=4 308 B8R1.4 ClC1=NC=CC(I)=C1 2579 [1,0,0,0,0,0|3,0,0]=4 309 B8R1.4 FC1=CC(Br)=NC=C1 3004 [1,0,0,0,0,0|3,0,0]=4 310 B8R1.4 FC1=CC(Cl)=NC=C1 6180 [1,0,0,0,0,0|3,0,0]=4 311 B8R1.4 FC1=CC(F)=NC=C1 16929 [1,0,0,0,0,0|3,0,0]=4 312 B8R1.4 FC1=NC=CC(Br)=C1 1228 [1,0,0,0,0,0|3,0,0]=4 313 B8R1.4 FC1=NC=CC(Br)=N1 22389 [1,0,0,0,0,0|2,0,1]=4 314 B8R1.4 FC1=NC=CC(Cl)=C1 13535 [1,0,0,0,0,0|3,0,0]=4 315 B8R1.4 FC1=NC=CC(I)=C1 3510 [1,0,0,0,0,0|3,0,0]=4 316 B8R1.4 NC1=CC(Br)=CC=C1 3723 [1,0,0,0,0,0|3,0,0]=4 317 B8R1.4 NC1=CC(Br)=NC=C1 1222 [1,0,0,0,0,0|2,0,0]=3 318 B8R1.4 NC1=CC(Cl)=CC=C1 20239 [1,0,0,0,0,0|3,0,0]=4 319 B8R1.4 NC1=CC(Cl)=NC=C1 1248 [1,0,0,0,0,0|2,0,0]=3 320 B8R1.4 NC1=CC(F)=CC=C1 10751 [1,0,0,0,0,0|3,0,0]=4 321 B8R1.4 NC1=CC(F)=CC=C1 13943 [1,0,0,0,0,0|3,0,0]=4 322 B8R1.4 NC1=CC(F)=NC=C1 1227 [1,0,0,0,0,0|2,0,0]=3 323 B8R1.4 NC1=CC(I)=CC=C1 10577 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.4 NC1=CC(N)=NC=C1 5418 [1,0,0,0,0,0|2,0,0]=3 325 B8R1.4 NC1=CC(N)=NC=N1 7074 [1,0,0,0,0,0|3,0,0]=4 326 B8R1.4 NC1=CC(O)=NC=C1 6648 [1,0,0,0,0,0|1,0,1]=3 327 B8R1.4 NC1=CC=CC(N)=N1 15371 [1,0,0,0,0,0|2,0,1]=4 328 B8R1.4 NC1=CC=CC(O)=C1 18119 [1,0,0,0,0,0|2,0,1]=4 329 B8R1.4 NC1=CC=CC(O)=N1 25861 [1,0,0,0,0,0|1,0,2]=4 330 B8R1.4 NC1=CC=CC(S)=C1 2470 [1,0,0,0,0,0|2,1,0]=4 331 B8R1.4 NC1=NC(=O)NC=C1 14137 [1,0,0,0,0,0|0,0,2]=3 332 B8R1.4 NC1=NC(=O)NC=N1 11082 [1,0,0,0,0,0|1,0,2]=4 333 B8R1.4 NC1=NC(Br)=CC=C1 17525 [1,0,0,0,0,0|2,0,1]=4 334 B8R1.4 NC1=NC(Br)=CC=C1 7663 [1,0,0,0,0,0|2,0,1]=4 335 B8R1.4 NC1=NC(Br)=NC=C1 27388 [1,0,0,0,0,0|1,0,1]=3 336 B8R1.4 NC1=NC(Cl)=CC=C1 9117 [1,0,0,0,0,0|2,0,1]=4 337 B8R1.4 NC1=NC(Cl)=NC=C1 6955 [1,0,0,0,0,0|1,0,1]=3 338 B8R1.4 NC1=NC(F)=CC=C1 2979 [1,0,0,0,0,0|2,0,1]=4 339 B8R1.4 NC1=NC(I)=CC=C1 26933 [1,0,0,0,0,0|2,0,1]=4 340 B8R1.4 NC1=NC(N)=NC=C1 7056 [1,0,0,0,0,0|1,0,1]=3 341 B8R1.4 NC1=NC=CC(=O)N1 15780 [1,0,0,0,0,0|2,0,0]=3 342 B8R1.4 NC1=NC=CC(Br)=C1 4039 [1,0,0,0,0,0|3,0,0]=4 343 B8R1.4 NC1=NC=CC(Br)=N1 16291 [1,0,0,0,0,0|2,0,1]=4 344 B8R1.4 NC1=NC=CC(Cl)=C1 5695 [1,0,0,0,0,0|3,0,0]=4 345 B8R1.4 NC1=NC=CC(Cl)=N1 7347 [1,0,0,0,0,0|2,0,1]=4 346 B8R1.4 NC1=NC=CC(F)=C1 19911 [1,0,0,0,0,0|3,0,0]=4 347 B8R1.4 NC1=NC=CC(O)=C1 6677 [1,0,0,0,0,0|3,0,0]=4 348 B8R1.4 NC1=NC=NC(Cl)=C1 6990 [1,0,0,0,0,0|3,0,0]=4 349 B8R1.4 NC1=NC=NC(O)=C1 6996 [1,0,0,0,0,0|2,0,1]=4 350 B8R1.4 O=C1C=CNC(=O)N1 14135 [1,0,0,0,0,0|1,0,1]=3 351 B8R1.4 O=C1C=CNC(=O)N1 35602 [1,0,0,0,0,0|1,0,1]=3 352 B8R1.4 O=C1C=CNC(=S)N1 27221 [1,0,0,0,0,0|1,1,1]=4 353 B8R1.4 O=C1C=NNC(=O)N1 20340 [1,0,0,0,0,0|2,0,1]=4 354 B8R1.4 OC1=CC(Br)=NC=C1 23393 [1,0,0,0,0,0|3,0,0]=4 355 B8R1.4 OC1=CC(Cl)=NC=C1 2578 [1,0,0,0,0,0|3,0,0]=4 356 B8R1.4 OC1=CC(O)=NC=C1 5487 [1,0,0,0,0,0|2,0,1]=4 357 B8R1.4 OC1=NC(Cl)=NC=C1 19316 [1,0,0,0,0,0|2,0,1]=4 358 B8R1.4 OC1=NC=CC(Br)=C1 6560 [1,0,0,0,0,0|2,0,1]=4 359 B8R1.4 OC1=NC=CC(Cl)=C1 9621 [1,0,0,0,0,0|2,0,1]=4 360 B8R1.4 OC1=NC=CC(I)=C1 27672 [1,0,0,0,0,0|2,0,1]=4 361 B8R1.4 SC1=NC(S)=NC=C1 13569 [1,0,0,0,0,0|1,1,1]=4 362 B8R1.5 BrC1=C(Br)C=NC=C1 6611 [1,0,0,0,0,0|2,1,0]=4 363 B8R1.5 BrC1=C(I)C=CN=C1 35720 [1,0,0,0,0,0|2,1,0]=4 364 B8R1.5 CC1=C(Br)C=CN=C1 10604 [1,0,0,0,0,0|3,0,0]=4 365 B8R1.5 CC1=C(Br)C=CN=C1 6889 [1,0,0,0,0,0|3,0,0]=4 366 B8R1.5 CC1=C(Br)C=NC=C1 3994 [1,0,0,0,0,0|2,1,0]=4 367 B8R1.5 CC1=C(Cl)C=CN=C1 17464 [1,0,0,0,0,0|3,0,0]=4 368 B8R1.5 CC1=C(Cl)C=CN=C1 9218 [1,0,0,0,0,0|3,0,0]=4 369 B8R1.5 CC1=C(Cl)C=NC=C1 14323 [1,0,0,0,0,0|2,1,0]=4 370 B8R1.5 CC1=C(F)C=CN=C1 15249 [1,0,0,0,0,0|3,0,0]=4 371 B8R1.5 CC1=C(F)C=NC=C1 9251 [1,0,0,0,0,0|2,0,0]=3 372 B8R1.5 CC1=C(N)C=CN=C1 1119 [1,0,0,0,0,0|2,0,0]=3 373 B8R1.5 CC1=C(N)C=NC=C1 1278 [1,0,0,0,0,0|3,0,0]=4 374 B8R1.5 CC1=C(O)C=NC=C1 15184 [1,0,0,0,0,0|3,0,0]=4 375 B8R1.5 CC1=CC=CC=C1N 20202 [1,0,0,0,0,0|3,0,0]=4 376 B8R1.5 CC1=CC=CN=C1N 1217 [1,0,0,0,0,0|2,0,1]=4 377 B8R1.5 CC1=CN=CN=C1Cl 21457 [1,0,0,0,0,0|2,0,1]=4 378 B8R1.5 CC1=NC=CC=C1F 14381 [1,0,0,0,0,0|2,0,1]=4 379 B8R1.5 CC1=NC=NC=C1Br 17240 [1,0,0,0,0,0|1,1,1]=4 380 B8R1.5 CC1=NC=NC=C1Cl 16949 [1,0,0,0,0,0|1,1,1]=4 381 B8R1.5 CC1=NC=NC=C1N 19924 [1,0,0,0,0,0|2,0,1]=4 382 B8R1.5 ClC1=C(Br)C=CN=C1 1288 [1,0,0,0,0,0|2,1,0]=4 383 B8R1.5 ClC1=C(Br)C=NC=C1 1287 [1,0,0,0,0,0|2,1,0]=4 384 B8R1.5 ClC1=C(Br)C=NC=C1 27014 [1,0,0,0,0,0|2,1,0]=4 385 B8R1.5 ClC1=C(Cl)C=NC=C1 6613 [1,0,0,0,0,0|2,1,0]=4 386 B8R1.5 ClC1=C(Cl)C=NC=C1 9823 [1,0,0,0,0,0|2,1,0]=4 387 B8R1.5 ClC1=C(I)C=CN=C1 9822 [1,0,0,0,0,0|2,1,0]=4 388 B8R1.5 ClC1=C(I)C=NC=C1 8083 [1,0,0,0,0,0|2,1,0]=4 389 B8R1.5 ClC1=CN=CN=C1Cl 12434 [1,0,0,0,0,0|1,1,1]=4 390 B8R1.5 ClC1=NC=NC=C1Br 35503 [1,0,0,0,0,0|1,1,1]=4 391 B8R1.5 ClC1=NC=NC=C1I 7344 [1,0,0,0,0,0|1,1,1]=4 392 B8R1.5 FC1=C(Br)C=CC=C1 3215 [1,0,0,0,0,0|3,0,0]=4 393 B8R1.5 FC1=C(Br)C=CN=C1 18130 [1,0,0,0,0,0|2,0,0]=3 394 B8R1.5 FC1=C(Br)C=CN=C1 6660 [1,0,0,0,0,0|2,0,0]=3 395 B8R1.5 FC1=C(Br)C=NC=C1 3009 [1,0,0,0,0,0|2,1,0]=4 396 B8R1.5 FC1=C(Cl)C=CC=C1 3418 [1,0,0,0,0,0|3,0,0]=4 397 B8R1.5 FC1=C(Cl)C=CN=C1 6667 [1,0,0,0,0,0|2,0,0]=3 398 B8R1.5 FC1=C(Cl)C=CN=C1 6668 [1,0,0,0,0,0|2,0,0]=3 399 B8R1.5 FC1=C(Cl)C=NC=C1 6675 [1,0,0,0,0,0|2,1,0]=4 400 B8R1.5 FC1=C(F)C=CC=C1 2307 [1,0,0,0,0,0|3,0,0]=4 401 B8R1.5 FC1=C(F)C=NC=C1 16287 [1,0,0,0,0,0|2,0,0]=3 402 B8R1.5 FC1=C(I)C=CC=C1 3496 [1,0,0,0,0,0|3,0,0]=4 403 B8R1.5 FC1=C(I)C=CN=C1 9249 [1,0,0,0,0,0|2,0,0]=3 404 B8R1.5 FC1=C(S)C=CC=C1 5428 [1,0,0,0,0,0|3,0,0]=4 405 B8R1.5 FC1=CC=CN=C1Br 3002 [1,0,0,0,0,0|2,0,1]=4 406 B8R1.5 FC1=CC=CN=C1Cl 2532 [1,0,0,0,0,0|2,0,1]=4 407 B8R1.5 FC1=CC=CN=C1F 5414 [1,0,0,0,0,0|2,0,1]=4 408 B8R1.5 FC1=CC=CN=C1I 6569 [1,0,0,0,0,0|2,0,1]=4 409 B8R1.5 FC1=CN=CN=C1Cl 18607 [1,0,0,0,0,0|1,0,1]=3 410 B8R1.5 NC1=C(Br)C=CC=C1 3722 [1,0,0,0,0,0|2,1,0]=4 411 B8R1.5 NC1=C(Br)C=CN=C1 6658 [1,0,0,0,0,0|3,0,0]=4 412 B8R1.5 NC1=C(Br)C=NC=C1 1242 [1,0,0,0,0,0|1,1,0]=3 413 B8R1.5 NC1=C(Cl)C=CC=C1 19107 [1,0,0,0,0,0|2,1,0]=4 414 B8R1.5 NC1=C(Cl)C=CN=C1 6665 [1,0,0,0,0,0|3,0,0]=4 415 B8R1.5 NC1=C(Cl)C=NC=C1 6653 [1,0,0,0,0,0|1,1,0]=3 416 B8R1.5 NC1=C(F)C=CC=C1 15382 [1,0,0,0,0,0|2,0,0]=3 417 B8R1.5 NC1=C(F)C=CC=C1 5245 [1,0,0,0,0,0|2,0,0]=3 418 B8R1.5 NC1=C(F)C=NC=C1 1261 [1,0,0,0,0,0|1,0,0]=2 419 B8R1.5 NC1=C(F)C=NC=C1 26667 [1,0,0,0,0,0|1,0,0]=2 420 B8R1.5 NC1=C(I)C=CC=C1 10573 [1,0,0,0,0,0|2,1,0]=4 421 B8R1.5 NC1=C(I)C=CN=C1 6681 [1,0,0,0,0,0|3,0,0]=4 422 B8R1.5 NC1=C(I)C=NC=C1 6632 [1,0,0,0,0,0|1,1,0]=3 423 B8R1.5 NC1=C(N)C=CC=C1 32376 [1,0,0,0,0,0|3,0,0]=4 424 B8R1.5 NC1=C(N)C=NC=C1 1295 [1,0,0,0,0,0|2,0,0]=3 425 B8R1.5 NC1=C(O)C=CN=C1 6679 [1,0,0,0,0,0|3,0,0]=4 426 B8R1.5 NC1=C(O)C=NC=C1 6654 [1,0,0,0,0,0|2,0,0]=3 427 B8R1.5 NC1=C(S)C=CC=C1 5424 [1,0,0,0,0,0|3,0,0]=4 428 B8R1.5 NC1=CC=CN=C1F 1259 [1,0,0,0,0,0|3,0,0]=4 429 B8R1.5 NC1=CC=CN=C1N 1296 [1,0,0,0,0,0|2,0,1]=4 430 B8R1.5 NC1=CC=CN=C1N 5394 [1,0,0,0,0,0|2,0,1]=4 431 B8R1.5 NC1=CN=CN=C1Br 34253 [1,0,0,0,0,0|2,0,1]=4 432 B8R1.5 NC1=CN=CN=C1N 44977 [1,0,0,0,0,0|1,0,1]=3 433 B8R1.5 NC1=CN=CN=C1N 7057 [1,0,0,0,0,0|1,0,1]=3 434 B8R1.5 NC1=NC=CC=C1Br 1241 [1,0,0,0,0,0|1,1,1]=4 435 B8R1.5 NC1=NC=CC=C1Cl 5562 [1,0,0,0,0,0|1,1,1]=4 436 B8R1.5 NC1=NC=CC=C1F 2976 [1,0,0,0,0,0|1,0,1]=3 437 B8R1.5 NC1=NC=CC=C1I 1265 [1,0,0,0,0,0|1,1,1]=4 438 B8R1.5 NC1=NC=CC=C1O 2574 [1,0,0,0,0,0|2,0,1]=4 439 B8R1.5 NC1=NC=CC=C1S 16432 [1,0,0,0,0,0|2,0,1]=4 440 B8R1.5 NC1=NC=NC=C1Br 14978 [1,0,0,0,0,0|0,1,1]=3 441 B8R1.5 Nc1ccccc1N 23346 [1,0,0,0,0,0|3,0,0]=4 442 B8R1.5 OC1=C(Br)C=CN=C1 6661 [1,0,0,0,0,0|3,0,0]=4 443 B8R1.5 OC1=C(Br)C=NC=C1 6678 [1,0,0,0,0,0|2,1,0]=4 444 B8R1.5 OC1=C(Cl)C=CN=C1 6669 [1,0,0,0,0,0|3,0,0]=4 445 B8R1.5 OC1=C(Cl)C=NC=C1 6680 [1,0,0,0,0,0|2,1,0]=4 446 B8R1.5 OC1=C(F)C=CC=C1 2313 [1,0,0,0,0,0|3,0,0]=4 447 B8R1.5 OC1=NC=CC=C1F 1200 [1,0,0,0,0,0|2,0,1]=4 448 B8R1.5 OC1=NC=NC=C1Br 24352 [1,0,0,0,0,0|1,1,1]=4 449 B8R1.5 OC1=NC=NC=C1F 7191 [1,0,0,0,0,0|1,0,1]=3 450 B10R1.22 CC1=NC(Cl)=C(O)C(N)=N1 19898 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.22 FC1=CC(F)=C(F)C(F)=N1 22302 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.22 NC1=C(F)C(Br)=CC(Cl)=C1 35105 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.22 NC1=C(F)C(Cl)=CC(Br)=C1 31083 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.22 NC1=C(F)C(Cl)=CC(Cl)=C1 31080 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.22 NC1=C(F)C(F)=CC(F)=C1 1549 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.22 NC1=C(N)C(Br)=NC(Br)=C1 28212 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.22 NC1=C(N)C(Cl)=NC(Cl)=C1 28177 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.22 NC1=C(N)C(O)=NC(O)=N1 21483 [0,1,0,0,0,0|1,0,2]=4 459 B10R1.22 NC1=NC(N)=C(N)C(N)=N1 13592 [0,1,0,0,0,0|2,0,1]=4 460 B10R1.22 NC1=NC(N)=C(N)C(N)=N1 13634 [0,1,0,0,0,0|2,0,1]=4 461 B10R1.22 NC1=NC(N)=C(N)C(N)=N1 7213 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.22 NC1=NC(N)=C(N)C(O)=N1 17580 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.22 NC1=NC(O)=C(N)C(N)=N1 21496 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.22 NC1=NC(S)=NC(O)=C1N 9484 [0,1,0,0,0,0|1,1,1]=4 465 B10R1.22 NC1=NC(S)=NC(S)=C1N 9483 [0,1,0,0,0,0|1,1,1]=4 466 B10R1.25 CC1=NC=C(C#N)C(N)=N1 6987 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.25 CCC1=CNC(=O)NC1=O 35402 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.25 N#CC1=C(N)NC(=O)N=C1 33340 [0,1,0,0,0,0|1,0,0]=2 469 B10R1.25 N#CC1=CN=C(Cl)N=C1N 6934 [0,1,0,0,0,0|2,0,1]=4 470 B10R1.25 N#CC1=CNC(=O)NC1=O 14994 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.25 NC1=C(C=O)C=NC(Cl)=C1 22052 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.25 NC1=NC=C(C=O)C(N)=N1 10458 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.25 NC1=NC=C(CBr)C(N)=N1 21450 [0,1,0,0,0,0|1,1,1]=4 474 B10R1.25 NC1=NC=C(CO)C(N)=N1 21449 [0,1,0,0,0,0|2,0,1]=4 475 B10R1.30 NCC1=C(F)C=CC(Br)=C1 3227 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 4378 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.30 NCC1=C(F)C=CC(F)=C1 4401 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 4471 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.30 NNC1=C(F)C=CC(F)=C1 1082 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.30 NNC1=C(F)C=CC(F)=C1 2467 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.30 O=CC1=CC(Cl)=NC=C1F 15227 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.30 OCC1=CC(Cl)=NC=C1F 17086 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.118 CC1=C(O)C=C(N)C(F)=C1 2833 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.118 CC1=CC(F)=C(N)C=C1Br 31067 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.118 CC1=CC(F)=C(N)C=C1F 10406 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.118 CC1=CC(N)=C(F)C=C1Br 2556 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.118 CC1=CC(N)=C(F)C=C1Cl 2966 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.118 NC1=C(F)C=C(Br)C(F)=C1 2928 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.118 NC1=C(F)C=C(Cl)C(F)=C1 31050 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.118 NC1=C(F)C=C(F)C(Br)=C1 23418 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.118 NC1=C(F)C=C(F)C(Cl)=C1 26639 [0,1,0,0,0,0|3,0,0]=4 492 B10R1.118 NC1=C(F)C=C(F)C(F)=C1 2469 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.118 NC1=C(F)C=C(I)C(F)=C1 31054 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.118 NC1=CC(F)=C(O)C=C1F 2830 [0,1,0,0,0,0|3,0,0]=4 495 B10R1.118 NC1=CC(O)=C(Cl)C=C1F 4516 [0,1,0,0,0,0|2,0,1]=4 496 B10R1.118 NC1=CC(O)=C(F)C=C1F 35633 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.119 CC1=C(I)C(F)=CN=C1Cl 6182 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.119 CC1=C(O)C(N)=NC=C1F 5619 [0,1,0,0,0,0|3,0,0]=4 499 B10R1.119 FC1=CN=C(F)C(F)=C1F 2177 [0,1,0,0,0,0|3,0,0]=4 500 B10R1.119 NC1=C(Br)C(F)=CN=C1Br 1250 [0,1,0,0,0,0|3,0,0]=4 501 B10R1.119 NC1=C(F)C(Br)=CC=C1F 31061 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.119 NC1=C(F)C(Cl)=CC=C1F 31033 [0,1,0,0,0,0|3,0,0]=4 503 B10R1.119 NC1=C(F)C(F)=CC=C1F 3020 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.119 NC1=C(N)C(Br)=NC=C1Br 25382 [0,1,0,0,0,0|2,1,0]=4 505 B10R1.119 NC1=NC=C(F)C(F)=C1O 5593 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.176 CC1=C(F)C=CC(C=O)=C1 1457 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.176 COC1=CC(N)=C(F)C=C1 15806 [0,1,0,0,0,0|2,0,1]=4 508 B10R1.176 COC1=NC=C(F)C(=O)N1 21484 [0,1,0,0,0,0|1,0,1]=3 509 B10R1.176 COC1=NC=C(F)C(Br)=C1 17047 [0,1,0,0,0,0|2,0,1]=4 510 B10R1.176 COC1=NC=C(F)C(C)=C1 6604 [0,1,0,0,0,0|2,0,1]=4 511 B10R1.176 COC1=NC=C(F)C(I)=C1 15251 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.176 COC1=NC=C(F)C(N)=C1 34238 [0,1,0,0,0,0|1,0,1]=3 513 B10R1.176 N#CC1=CC(N)=C(F)C=C1 4645 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 2878 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 1409 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.176 O=CC1=CC(F)=C(F)C=C1 1413 [0,1,0,0,0,0|3,0,0]=4 517 B10R1.176 O=CC1=CC(I)=C(F)C=C1 5255 [0,1,0,0,0,0|3,0,0]=4 518 B10R1.176 OCC1=NC=C(F)C(Cl)=C1 32243 [0,1,0,0,0,0|2,0,1]=4 519 B8R1.18 BrC1=NC(Br)=C(Br)N1 7150 [0,0,0,0,1,0|2,1,0]=4 520 B8R1.18 CC1=C(Br)NC(Br)=N1 8964 [0,0,0,0,1,0|3,0,0]=4 521 B8R1.18 CC1=C(I)NC(I)=N1 8982 [0,0,0,0,1,0|3,0,0]=4 522 B8R1.18 CC1=CC(=O)OC1=O 35240 [0,0,0,0,1,0|3,0,0]=4 523 B8R1.18 CC1=NC(Br)=C(Br)N1 8965 [0,0,0,0,1,0|2,1,0]=4 524 B8R1.18 CC1=NC(I)=C(I)N1 8990 [0,0,0,0,1,0|2,1,0]=4 525 B8R1.18 ClC1=C(Cl)NC(Br)=N1 35303 [0,0,0,0,1,0|2,1,0]=4 526 B8R1.18 IC1=NC(I)=C(I)N1 9642 [0,0,0,0,1,0|2,1,0]=4 527 B8R1.50 CC1=NOC(C)=C1N 8659 [0,0,0,0,1,0|3,0,0]=4 528 B8R1.50 NC1=C(O)COC1=O 35510 [0,0,0,0,1,0|2,0,1]=4 529 B7R1.3 BrC1=CC=CN=C1 2571 [2,0,0,0,0,0|1,1,0]=4 530 B7R1.3 BrC1=CC=NC=C1 15950 [2,0,0,0,0,0|2,0,0]=4 531 B7R1.3 BrC1=CC=NC=C1 2589 [2,0,0,0,0,0|2,0,0]=4 532 B7R1.3 BrC1=CN=CN=C1 6902 [2,0,0,0,0,0|0,1,1]=4 533 B7R1.3 BrC1=NC=CC=C1 2570 [2,0,0,0,0,0|2,0,0]=4 534 B7R1.3 BrC1=NC=CC=N1 6901 [2,0,0,0,0,0|1,0,1]=4 535 B7R1.3 CC1=CN=CN=C1 7207 [2,0,0,0,0,0|1,0,1]=4 536 B7R1.3 CC1=NC=CC=C1 15899 [2,0,0,0,0,0|2,0,0]=4 537 B7R1.3 CC1=NC=CC=N1 21974 [2,0,0,0,0,0|1,0,1]=4 538 B7R1.3 CC1=NC=NC=C1 20803 [2,0,0,0,0,0|1,0,1]=4 539 B7R1.3 Cc1ccccn1 18185 [2,0,0,0,0,0|2,0,0]=4 540 B7R1.3 ClC1=CC=CN=C1 2576 [2,0,0,0,0,0|1,1,0]=4 541 B7R1.3 ClC1=CC=NC=C1 1195 [2,0,0,0,0,0|2,0,0]=4 542 B7R1.3 ClC1=CC=NC=C1 23503 [2,0,0,0,0,0|2,0,0]=4 543 B7R1.3 ClC1=CN=CN=C1 7041 [2,0,0,0,0,0|0,1,1]=4 544 B7R1.3 ClC1=NC=CC=C1 13200 [2,0,0,0,0,0|2,0,0]=4 545 B7R1.3 ClC1=NC=CC=N1 7040 [2,0,0,0,0,0|1,0,1]=4 546 B7R1.3 ClC1=NC=NC=C1 15531 [2,0,0,0,0,0|1,0,1]=4 547 B7R1.3 FC1=CC=CC=C1 29401 [2,0,0,0,0,0|2,0,0]=4 548 B7R1.3 FC1=CC=CN=C1 1095 [2,0,0,0,0,0|1,0,0]=3 549 B7R1.3 FC1=CC=NC=C1 14322 [2,0,0,0,0,0|2,0,0]=4 550 B7R1.3 FC1=CC=NC=C1 2616 [2,0,0,0,0,0|2,0,0]=4 551 B7R1.3 FC1=CN=CN=C1 7193 [2,0,0,0,0,0|0,0,1]=3 552 B7R1.3 FC1=NC=CC=C1 1094 [2,0,0,0,0,0|2,0,0]=4 553 B7R1.3 FC1=NC=CN=C1 13961 [2,0,0,0,0,0|2,0,0]=4 554 B7R1.3 FC1=NC=NC=C1 13598 [2,0,0,0,0,0|1,0,1]=4 555 B7R1.3 IC1=CC=CN=C1 6634 [2,0,0,0,0,0|1,1,0]=4 556 B7R1.3 IC1=CC=NC=C1 2584 [2,0,0,0,0,0|2,0,0]=4 557 B7R1.3 IC1=CN=CN=C1 25074 [2,0,0,0,0,0|0,1,1]=4 558 B7R1.3 IC1=NC=CC=C1 4074 [2,0,0,0,0,0|2,0,0]=4 559 B7R1.3 IC1=NC=CC=N1 23553 [2,0,0,0,0,0|1,0,1]=4 560 B7R1.3 IC1=NC=NC=C1 33551 [2,0,0,0,0,0|1,0,1]=4 561 B7R1.3 NC1=CC=CN=C1 2569 [2,0,0,0,0,0|2,0,0]=4 562 B7R1.3 NC1=CC=NC=C1 1281 [2,0,0,0,0,0|1,0,0]=3 563 B7R1.3 NC1=CN=CN=C1 25064 [2,0,0,0,0,0|1,0,1]=4 564 B7R1.3 NC1=NC=CC=C1 10484 [2,0,0,0,0,0|1,0,1]=4 565 B7R1.3 NC1=NC=CC=N1 4106 [2,0,0,0,0,0|1,0,1]=4 566 B7R1.3 NC1=NC=NC=C1 21825 [2,0,0,0,0,0|0,0,1]=3 567 B7R1.3 NC1=NC=NC=N1 14498 [2,0,0,0,0,0|1,0,1]=4 568 B7R1.3 O=C1C=CC=NN1 9528 [2,0,0,0,0,0|2,0,0]=4 569 B7R1.3 OC1=CC=CN=C1 2568 [2,0,0,0,0,0|2,0,0]=4 570 B7R1.3 OC1=CC=NC=C1 1116 [2,0,0,0,0,0|2,0,0]=4 571 B7R1.3 OC1=CN=CN=C1 20799 [2,0,0,0,0,0|1,0,1]=4 572 B7R1.3 OC1=C[NH+]=CN=C1 23934 [2,0,0,0,0,0|1,0,1]=4 573 B7R1.3 OC1=NC=CC=C1 2567 [2,0,0,0,0,0|1,0,1]=4 574 B7R1.3 OC1=NC=CC=N1 20310 [2,0,0,0,0,0|0,0,2]=4 575 B7R1.3 OC1=NC=CC=N1 21046 [2,0,0,0,0,0|0,0,2]=4 576 B7R1.3 OC1=NC=NC=C1 11012 [2,0,0,0,0,0|1,0,1]=4 577 B7R1.3 OC1=NC=NC=C1 20805 [2,0,0,0,0,0|1,0,1]=4 578 B7R1.3 SC1=CC=NC=C1 9746 [2,0,0,0,0,0|2,0,0]=4 579 B7R1.3 SC1=NC=CC=C1 10835 [2,0,0,0,0,0|1,1,0]=4 580 B7R1.3 SC1=NC=CC=C1 16329 [2,0,0,0,0,0|1,1,0]=4 581 B7R1.3 SC1=NC=CC=N1 21982 [2,0,0,0,0,0|0,1,1]=4 582 B9R1.1 CC1=CN=C(C=O)C=C1 17169 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.1 COC1=NC=C(F)C=C1 11248 [1,1,0,0,0,0|1,0,1]=4 584 B9R1.1 N#CC1=NC=C(F)C=C1 16479 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.1 NCC1=CNC(=O)C=C1 19427 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.1 O=CC1=NC=C(Br)C=C1 5059 [1,1,0,0,0,0|1,1,0]=4 588 B9R1.1 O=CC1=NC=C(Cl)C=C1 17153 [1,1,0,0,0,0|1,1,0]=4 589 B9R1.1 O=CC1=NC=C(F)C=C1 5149 [1,1,0,0,0,0|1,0,0]=3 590 B9R1.1 O=CC1=NC=C(O)C=C1 33708 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.2 CC1=CC(C=O)=NC=C1 17166 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.2 CC1=NC=CC(CN)=C1 34737 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.2 CNC1=CC(Br)=NC=C1 33713 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.2 COC1=NC=CC(N)=C1 32235 [1,1,0,0,0,0|1,0,1]=4 595 B9R1.2 COC1=NC=CC(N)=C1 6595 [1,1,0,0,0,0|1,0,1]=4 596 B9R1.2 COC1=NC=CC(N)=N1 28087 [1,1,0,0,0,0|0,0,2]=4 597 B9R1.2 CSC1=NC=CC(N)=N1 22250 [1,1,0,0,0,0|0,1,1]=4 598 B9R1.2 N#CC1=NC=CC(N)=C1 23209 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.2 NCC1=CC(F)=NC=C1 34830 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.2 NCC1=CC(N)=NC=C1 18667 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.2 NNC1=CC(Cl)=NC=C1 19455 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.2 O=CC1=NC=CC(Cl)=C1 24779 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.3 CC1=NC=CC(N)=C1Cl 6652 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.3 CN1C(=O)C=CC=C1Br 27775 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.3 NC1=C(Br)C(Cl)=NC=C1 2607 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.3 NC1=C(I)C(Cl)=NC=C1 22625 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.3 NC1=C(N)C(Cl)=NC=C1 25253 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.3 NC1=C(N)C(O)=NC=C1 25039 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.34 CC1=CC(N)=CC(Br)=N1 21994 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.34 CC1=CC(N)=CC(C)=N1 19474 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.34 CC1=CC(N)=CC(Cl)=N1 27883 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.34 CC1=CC(N)=NC(Cl)=N1 23059 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.34 CC1=NC(Cl)=CC(N)=N1 9335 [1,1,0,0,0,0|1,0,1]=4 614 B9R1.34 NC1=CC(=O)NC(=O)N1 21419 [1,1,0,0,0,0|0,0,1]=3 615 B9R1.34 NC1=CC(Br)=NC(Br)=C1 28211 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 5530 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.34 NC1=CC(Cl)=NC(N)=N1 7008 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.34 NC1=CC(F)=NC(F)=C1 33559 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.34 NC1=CC(N)=NC(N)=N1 7216 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.34 NC1=CC(N)=NC(S)=N1 7043 [1,1,0,0,0,0|0,1,1]=4 621 B9R1.34 NC1=NC(Cl)=NC(Cl)=C1 6924 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.34 NC1=NC(F)=NC(F)=C1 6925 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.34 NC1=NC(N)=NC(F)=C1 7052 [1,1,0,0,0,0|1,0,1]=4 624 B9R1.34 NC1=NC(N)=NC(O)=C1 7054 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.34 NC1=NC(S)=NC(O)=C1 28178 [1,1,0,0,0,0|0,1,1]=4 626 B9R1.34 NC1=NC(S)=NC(O)=C1 6994 [1,1,0,0,0,0|0,1,1]=4 627 B9R1.34 O=C1C=C(Cl)NC(=O)N1 4063 [1,1,0,0,0,0|1,0,1]=4 628 B9R1.34 O=C1C=C(I)NC(=O)N1 23784 [1,1,0,0,0,0|1,0,1]=4 629 B9R1.15 CCC1=NC=NC=C1F 17408 [1,1,0,0,0,0|1,0,1]=4 630 B9R1.15 CNC1=C(F)C=CC=C1 15527 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 CNC1=C(N)C=NC=C1 29063 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 COC1=C(N)C=CN=C1 27755 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.15 N#CC1=CN=CN=C1N 6999 [1,1,0,0,0,0|1,0,1]=4 634 B9R1.15 NC1=C(C=O)C=NC=C1 7681 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.15 NC1=C(CO)C=NC=C1 26901 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.15 NCC1=C(F)C=CC=C1 4415 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.15 NNC1=C(F)C=CC=C1 3347 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 NNC1=C(F)C=CC=C1 3350 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 NNC1=NC=CC=C1F 19894 [1,1,0,0,0,0|1,0,1]=4 640 B9R1.15 O=CC1=C(F)C=NC=C1 5137 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 OCC1=C(F)C=NC=C1 23891 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.32 NC1=C(F)C(F)=NC(F)=C1F 2992 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.167 CN(C)C1=NC(Cl)=NC=C1F 5285 [0,2,0,0,0,0|1,0,1]=4 644 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.21 NC1=C(F)C=CC([N+](=O)[O-])=C1 8504 [0,2,0,0,0,0|2,0,0]=4 647 B7R1.2 BrC1=CNC(Br)=N1 8954 [1,0,0,0,1,0|1,1,0]=4 648 B7R1.2 CC1=CNC(C)=C1 24003 [1,0,0,0,1,0|2,0,0]=4 649 B7R1.2 CC1=CNC(C)=N1 18587 [1,0,0,0,1,0|2,0,0]=4 650 B7R1.2 CC1=NC(Br)=CN1 7595 [1,0,0,0,1,0|1,1,0]=4 651 B7R1.2 CC1=NC(I)=CN1 25227 [1,0,0,0,1,0|1,1,0]=4 652 B7R1.2 FC1=CSC(Br)=N1 32330 [1,0,0,0,1,0|2,0,0]=4 653 B7R1.2 NC1=NC=C(F)S1 27358 [1,0,0,0,1,0|2,0,0]=4 654 B7R1.4 CN1N=CC=C1N 9123 [1,0,0,0,1,0|2,0,0]=4 655 B7R1.4 NC1=NC=CN1N 22689 [1,0,0,0,1,0|2,0,0]=4