0 B6R1.2 BrC1=CN=CS1 29062 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=CNC=N1 25039 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 BrC1=CNN=C1 27841 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.2 BrC1=COC=C1 26940 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 BrC1=CON=C1 28611 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 BrC1=CSC=N1 17481 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 BrC1=CSN=C1 17479 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 CC1=CSC=N1 26939 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 CC1=NC=CN1 26928 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 CC1=NCCC1 29954 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 CC1=NNN=N1 28154 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 CN1C=CN=C1 00526 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 CN1C=NN=N1 27941 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 IC1=CNC=N1 28518 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 IC1=CNN=C1 26932 [0,0,0,0,0,0|1,0,0]=1 15 B6R1.2 IC1=NNC=C1 30713 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 NC1=CC=CS1 28483 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 NC1=CNN=C1 28540 [0,0,0,0,0,0|1,0,0]=1 18 B6R1.2 NC1=NN=NN1 28016 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 NC1=NN=NN1 28335 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 NC1=NNC=C1 24487 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 NC1=NNC=N1 21858 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 O=C1C=CCN1 18447 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 O=C1CCNC1 31268 [0,0,0,0,0,0|2,0,2]=4 24 B6R1.2 SC1=NN=CS1 27573 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 [Na]N1C=NC=N1 27640 [0,0,0,0,0,0|4,0,0]=4 26 B5R1.1 C1=CNC=N1 00418 [1,0,0,0,0,0|2,0,0]=3 27 B5R1.1 C1=CNC=N1 01178 [1,0,0,0,0,0|2,0,0]=3 28 B5R1.1 C1=CNC=N1 01546 [1,0,0,0,0,0|2,0,0]=3 29 B5R1.1 C1=CNN=C1 02354 [1,0,0,0,0,0|0,0,0]=1 30 B5R1.1 C1=CNN=N1 16990 [1,0,0,0,0,0|1,0,0]=2 31 B5R1.1 C1=CON=C1 01809 [1,0,0,0,0,0|1,0,0]=2 32 B5R1.1 C1=CSC=N1 03607 [1,0,0,0,0,0|2,0,0]=3 33 B5R1.1 C1=NC=NN1 00942 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.1 CCC1=NN=NN1 29318 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 CCN1C=CN=C1 30433 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.1 CNC1=CC=CS1 29398 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 CNC1=NOC=C1 18181 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.1 CSC1=CNC=N1 24296 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.1 CSC1=NN=NN1 01399 [0,1,0,0,0,0|2,0,1]=4 40 B7R1.1 ClCC1=CSC=N1 28601 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.1 ClCC1=NNN=N1 19108 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.1 N#CC1=CN=CO1 20848 [0,1,0,0,0,0|2,0,1]=4 43 B7R1.1 N#CC1=CSC=C1 28089 [0,1,0,0,0,0|2,0,1]=4 44 B7R1.1 NCC1=CC=NN1 17985 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 NCC1=CC=NO1 18182 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 NCC1=CN=CO1 20845 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.1 NCC1=CN=CS1 19378 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 NCC1=CNN=N1 19305 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.1 NCC1=COC=N1 20843 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 NCC1=COC=N1 20844 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.1 NCC1=CON=C1 19372 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.1 NCC1=CSC=N1 19377 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 NCC1=NC=NN1 18727 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 NCC1=NNN=N1 19312 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 O=CC1=CN=CO1 19473 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 O=CC1=CN=CS1 24726 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 O=CC1=CNC=N1 28139 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.1 O=CC1=CNN=C1 17608 [0,1,0,0,0,0|0,0,1]=2 59 B7R1.1 O=CC1=CNN=N1 17911 [0,1,0,0,0,0|1,0,1]=3 60 B7R1.1 O=CC1=CON=C1 17796 [0,1,0,0,0,0|1,0,1]=3 61 B7R1.1 O=CC1=NNC=C1 17422 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.1 O=CN1C=CN=C1 29216 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.1 OCC1=CC=CS1 14033 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.1 OCC1=CC=NO1 17531 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.1 OCC1=CN=CS1 28873 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.1 OCC1=COC=C1 26943 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.1 OCC1=CSC=N1 28872 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.1 SCC1=CC=CO1 31196 [0,1,0,0,0,0|3,0,0]=4 69 B7R1.2 BrC1=CN=C(Br)S1 27422 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.2 CC1=CC(C)=NN1 24489 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.2 CC1=CN=C(N)N1 19128 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.2 CC1=CNC(C)=N1 27471 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.2 CC1=CSC(Br)=N1 17973 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.2 CC1=CSC(Cl)=N1 18699 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.2 CC1=NOC(N)=C1 26860 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.2 CN1C=C(Br)C=N1 28610 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.2 CN1N=NC(N)=N1 28551 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.2 NC1=NC=C(Br)S1 29486 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.4 BrC1=CSC=C1Br 24497 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.4 CC1=C(Br)SC=N1 26386 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.4 CC1=C(S)C=CO1 29781 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.4 CC1=NC=CN1C 30384 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.4 CN1C=CN=C1Cl 24054 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.4 CN1N=CC=C1O 28907 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.4 NC1=C(Br)C=NN1 31044 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.4 NC1=NNC=C1Br 31033 [0,1,0,0,0,0|1,0,0]=2 87 B5R0.1 C\C(N)=C/C#N 28659 [0,0,1,0,0,0|2,0,1]=4 88 B7R1.3 BrC1=CC=CN=C1 27044 [0,0,0,0,0,1|2,0,0]=3 89 B7R1.3 BrC1=CC=CN=C1 29560 [0,0,0,0,0,1|2,0,0]=3 90 B7R1.3 BrC1=CC=NC=C1 28252 [0,0,0,0,0,1|2,0,0]=3 91 B7R1.3 BrC1=NC=CC=C1 30363 [0,0,0,0,0,1|3,0,0]=4 92 B7R1.3 CC1=CC=CC=C1 01740 [0,0,0,0,0,1|2,0,0]=3 93 B7R1.3 CC1=CC=CC=C1 30234 [0,0,0,0,0,1|2,0,0]=3 94 B7R1.3 CC1=CC=CN=C1 27052 [0,0,0,0,0,1|1,0,0]=2 95 B7R1.3 CC1=CC=NC=C1 29179 [0,0,0,0,0,1|1,0,0]=2 96 B7R1.3 CC1=NC=CC=C1 27038 [0,0,0,0,0,1|2,0,0]=3 97 B7R1.3 CC1=NC=CN=C1 31194 [0,0,0,0,0,1|1,0,0]=2 98 B7R1.3 ClC1=CC=CN=C1 27046 [0,0,0,0,0,1|2,0,0]=3 99 B7R1.3 ClC1=CC=NC=C1 27337 [0,0,0,0,0,1|2,0,0]=3 100 B7R1.3 ClC1=NC=CC=C1 32073 [0,0,0,0,0,1|3,0,0]=4 101 B7R1.3 ClC1=NN=CC=C1 26208 [0,0,0,0,0,1|3,0,0]=4 102 B7R1.3 FC1=CC=CN=C1 27045 [0,0,0,0,0,1|2,0,0]=3 103 B7R1.3 FC1=NC=CC=C1 27001 [0,0,0,0,0,1|3,0,0]=4 104 B7R1.3 IC1=CC=CC=N1 30769 [0,0,0,0,0,1|3,0,0]=4 105 B7R1.3 IC1=CC=CN=C1 22280 [0,0,0,0,0,1|2,0,0]=3 106 B7R1.3 NC1=CC=NC=C1 27983 [0,0,0,0,0,1|2,0,0]=3 107 B7R1.3 NC1=CC=NN=C1 20858 [0,0,0,0,0,1|1,0,1]=3 108 B7R1.3 NC1=CN=CN=C1 19494 [0,0,0,0,0,1|1,0,1]=3 109 B7R1.3 NC1=NC=CC=C1 27027 [0,0,0,0,0,1|3,0,0]=4 110 B7R1.3 NC1=NC=CN=C1 24511 [0,0,0,0,0,1|2,0,0]=3 111 B7R1.3 O=C1C=CNC=N1 27537 [0,0,0,0,0,1|2,0,0]=3 112 B7R1.3 OC1=CC=CN=C1 02324 [0,0,0,0,0,1|2,0,0]=3 113 B7R1.3 OC1=NC=CC=C1 02323 [0,0,0,0,0,1|3,0,0]=4 114 B7R1.3 SC1=NC=CC=C1 12993 [0,0,0,0,0,1|3,0,0]=4 115 B7R1.3 [SiH3]C1=CC=CC=C1 31483 [0,0,0,0,0,1|2,1,0]=4 116 B4R0.1 C=C(C)CN 22406 [1,0,1,0,0,0|0,0,1]=3 117 B4R0.1 C=CC(N)=O 00004 [1,0,1,0,0,0|2,0,0]=4 118 B4R0.1 CNC(C)=O 27186 [1,0,1,0,0,0|2,0,0]=4 119 B4R0.1 COC(C)=N 02332 [1,0,1,0,0,0|2,0,0]=4 120 B4R0.2 C=CCON 27343 [1,0,1,0,0,0|1,0,1]=4 121 B8R1.2 BrCC1=CC=CC=C1 00332 [0,1,0,0,0,1|2,0,0]=4 122 B8R1.2 CNC1=CN=CC=C1 18208 [0,1,0,0,0,1|1,0,0]=3 123 B8R1.2 COC1=CC=CC=C1 02045 [0,1,0,0,0,1|2,0,0]=4 124 B8R1.2 COC1=CC=NC=C1 28387 [0,1,0,0,0,1|1,0,0]=3 125 B8R1.2 COC1=NC=CC=C1 27017 [0,1,0,0,0,1|2,0,0]=4 126 B8R1.2 ClCC1=CC=CN=C1 06928 [0,1,0,0,0,1|1,0,0]=3 127 B8R1.2 ClCC1=CC=NC=C1 06929 [0,1,0,0,0,1|1,0,0]=3 128 B8R1.2 ClCC1=CN=CN=C1 24067 [0,1,0,0,0,1|0,0,1]=3 129 B8R1.2 ClCC1=NC=CC=C1 06927 [0,1,0,0,0,1|2,0,0]=4 130 B8R1.2 N#CC1=CC=NC=C1 27057 [0,1,0,0,0,1|1,0,1]=4 131 B8R1.2 N#CC1=NC=CN=C1 27679 [0,1,0,0,0,1|1,0,1]=4 132 B8R1.2 NCC1=CC=CC=C1 29916 [0,1,0,0,0,1|2,0,0]=4 133 B8R1.2 NCC1=CC=CN=C1 27056 [0,1,0,0,0,1|1,0,0]=3 134 B8R1.2 NCC1=CC=NC=C1 27066 [0,1,0,0,0,1|1,0,0]=3 135 B8R1.2 NCC1=CC=NC=C1 28201 [0,1,0,0,0,1|1,0,0]=3 136 B8R1.2 NCC1=CN=CC=N1 23715 [0,1,0,0,0,1|1,0,0]=3 137 B8R1.2 NNC1=CN=CC=N1 17541 [0,1,0,0,0,1|2,0,0]=4 138 B8R1.2 O=CC1=CC=NC=C1 07252 [0,1,0,0,0,1|1,0,1]=4 139 B8R1.2 O=CC1=CN=CN=C1 17090 [0,1,0,0,0,1|0,0,2]=4 140 B8R1.2 O=CC1=NC=CN=C1 17542 [0,1,0,0,0,1|1,0,1]=4 141 B8R1.2 OCC1=CC=CC=C1 00371 [0,1,0,0,0,1|2,0,0]=4 142 B8R1.2 OCC1=CC=CN=C1 27054 [0,1,0,0,0,1|1,0,0]=3 143 B8R1.2 OCC1=CC=CN=N1 26187 [0,1,0,0,0,1|2,0,0]=4 144 B8R1.2 OCC1=CC=NC=C1 12966 [0,1,0,0,0,1|1,0,0]=3 145 B8R1.2 OCC1=CN=CN=C1 26173 [0,1,0,0,0,1|0,0,1]=3 146 B8R1.3 BrC1=CC=C(I)N=C1 25762 [0,1,0,0,0,1|2,0,0]=4 147 B8R1.3 BrC1=CN=C(Br)C=C1 24773 [0,1,0,0,0,1|2,0,0]=4 148 B8R1.3 BrC1=CN=C(Br)C=N1 29073 [0,1,0,0,0,1|2,0,0]=4 149 B8R1.3 BrC1=CN=C(I)N=C1 32048 [0,1,0,0,0,1|1,0,1]=4 150 B8R1.3 BrC1=NC=C(I)C=C1 25761 [0,1,0,0,0,1|2,0,0]=4 151 B8R1.3 CC1=CC=C(Cl)N=C1 28395 [0,1,0,0,0,1|1,0,0]=3 152 B8R1.3 CC1=CC=C(F)C=C1 30018 [0,1,0,0,0,1|2,0,0]=4 153 B8R1.3 CC1=CC=C(F)C=N1 31011 [0,1,0,0,0,1|2,0,0]=4 154 B8R1.3 CC1=CC=C(N)C=N1 28425 [0,1,0,0,0,1|2,0,0]=4 155 B8R1.3 CC1=CC=C(O)C=C1 02046 [0,1,0,0,0,1|2,0,0]=4 156 B8R1.3 CC1=CC=C(S)N=C1 28655 [0,1,0,0,0,1|1,0,0]=3 157 B8R1.3 CC1=CC=[N+]([O-])C=C1 26997 [0,1,0,0,0,1|1,0,1]=4 158 B8R1.3 CC1=CN=C(Br)C=C1 28196 [0,1,0,0,0,1|1,0,0]=3 159 B8R1.3 CC1=CN=C(C)C=N1 29787 [0,1,0,0,0,1|1,0,0]=3 160 B8R1.3 CC1=CN=C(F)C=C1 29327 [0,1,0,0,0,1|1,0,0]=3 161 B8R1.3 CC1=CN=C(N)C=C1 16973 [0,1,0,0,0,1|1,0,0]=3 162 B8R1.3 CC1=CN=C(N)C=N1 20422 [0,1,0,0,0,1|1,0,0]=3 163 B8R1.3 CC1=CN=C(O)C=C1 28671 [0,1,0,0,0,1|1,0,0]=3 164 B8R1.3 CC1=NC=C(Br)C=C1 16976 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.3 CC1=NC=C(Cl)C=C1 28861 [0,1,0,0,0,1|2,0,0]=4 166 B8R1.3 CC1=NC=C(I)C=C1 29038 [0,1,0,0,0,1|2,0,0]=4 167 B8R1.3 CC1=NC=C(O)C=C1 27039 [0,1,0,0,0,1|2,0,0]=4 168 B8R1.3 ClC1=CC=C(Br)C=N1 28495 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.3 ClC1=CC=C(Br)N=C1 28243 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.3 ClC1=CC=C(I)C=N1 25903 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.3 ClC1=CC=C(I)N=C1 29018 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.3 ClC1=CN=C(Br)C=N1 26258 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.3 ClC1=CN=C(Cl)C=C1 27007 [0,1,0,0,0,1|2,0,0]=4 174 B8R1.3 ClC1=CN=C(Cl)C=C1 28912 [0,1,0,0,0,1|2,0,0]=4 175 B8R1.3 ClC1=NC=C(I)C=N1 24348 [0,1,0,0,0,1|1,0,1]=4 176 B8R1.3 FC1=CC=C(Br)N=C1 28247 [0,1,0,0,0,1|2,0,0]=4 177 B8R1.3 FC1=CC=C(Cl)C=N1 28844 [0,1,0,0,0,1|2,0,0]=4 178 B8R1.3 FC1=CN=C(Br)N=C1 26305 [0,1,0,0,0,1|1,0,1]=4 179 B8R1.3 FC1=CN=C(Cl)C=C1 28720 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.3 FC1=NC=C(I)C=C1 28716 [0,1,0,0,0,1|2,0,0]=4 181 B8R1.3 IC1=CC=C(I)N=C1 28251 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.3 NC1=CC=C(Br)N=C1 28526 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.3 NC1=CC=C(F)N=C1 17046 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.3 NC1=CC=C(I)C=N1 25748 [0,1,0,0,0,1|2,0,0]=4 185 B8R1.3 NC1=CC=C(I)N=C1 25750 [0,1,0,0,0,1|2,0,0]=4 186 B8R1.3 NC1=CC=C(O)C=N1 29569 [0,1,0,0,0,1|2,0,0]=4 187 B8R1.3 NC1=CN=C(Br)C=N1 17087 [0,1,0,0,0,1|2,0,0]=4 188 B8R1.3 NC1=CN=C(Cl)C=C1 25555 [0,1,0,0,0,1|2,0,0]=4 189 B8R1.3 NC1=CN=C(Cl)N=C1 26196 [0,1,0,0,0,1|1,0,1]=4 190 B8R1.3 NC1=CN=C(N)C=C1 27586 [0,1,0,0,0,1|2,0,0]=4 191 B8R1.3 NC1=CNC(=O)C=C1 29435 [0,1,0,0,0,1|2,0,0]=4 192 B8R1.3 NC1=NC=C(Br)C=C1 27033 [0,1,0,0,0,1|2,0,0]=4 193 B8R1.3 NC1=NC=C(Cl)C=C1 27034 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.3 NC1=NC=C(F)C=N1 29344 [0,1,0,0,0,1|1,0,1]=4 195 B8R1.3 NC1=NC=C(O)C=C1 17752 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.3 OC1=CC=C(Br)C=N1 25760 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.3 OC1=CC=C(Cl)N=C1 28255 [0,1,0,0,0,1|2,0,0]=4 198 B8R1.3 OC1=CC=C(F)C=N1 29416 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.3 OC1=CN=C(Br)C=C1 28860 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.3 OC1=NC=C(Cl)C=C1 27022 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.3 OC1=NC=C(Cl)C=N1 10645 [0,1,0,0,0,1|1,0,1]=4 202 B8R1.3 OC1=NC=C(I)C=C1 25749 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.4 BrC1=CC(Br)=NC=C1 28828 [0,1,0,0,0,1|2,0,0]=4 204 B8R1.4 BrC1=CN=CC(Br)=C1 27383 [0,1,0,0,0,1|2,0,0]=4 205 B8R1.4 BrC1=CN=CC(I)=C1 28668 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.4 BrC1=NC(Br)=NC=C1 29002 [0,1,0,0,0,1|2,0,0]=4 207 B8R1.4 BrC1=NC=CC(I)=C1 28666 [0,1,0,0,0,1|2,0,0]=4 208 B8R1.4 CC1=CC(Br)=CC=N1 17038 [0,1,0,0,0,1|2,0,0]=4 209 B8R1.4 CC1=CC(Br)=NC=C1 27873 [0,1,0,0,0,1|1,0,0]=3 210 B8R1.4 CC1=CC(N)=CC=N1 28156 [0,1,0,0,0,1|2,0,0]=4 211 B8R1.4 CC1=CC(O)=CC=C1 03571 [0,1,0,0,0,1|2,0,0]=4 212 B8R1.4 CC1=CC(O)=CN=C1 28367 [0,1,0,0,0,1|1,0,0]=3 213 B8R1.4 CC1=CC=CC(=O)N1 28328 [0,1,0,0,0,1|2,0,0]=4 214 B8R1.4 CC1=CC=CC(Br)=N1 27580 [0,1,0,0,0,1|2,0,0]=4 215 B8R1.4 CC1=CC=CC(C)=N1 00800 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.4 CC1=CC=CC(Cl)=N1 27011 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.4 CC1=CC=CC(F)=C1 30020 [0,1,0,0,0,1|2,0,0]=4 218 B8R1.4 CC1=CC=CC(F)=N1 27601 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.4 CC1=CC=CC(I)=C1 26769 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.4 CC1=CC=CC(N)=N1 27037 [0,1,0,0,0,1|2,0,0]=4 221 B8R1.4 CC1=CC=C[N+]([O-])=C1 26993 [0,1,0,0,0,1|1,0,1]=4 222 B8R1.4 CC1=CC=NC(O)=C1 27954 [0,1,0,0,0,1|1,0,0]=3 223 B8R1.4 CC1=CN=CC(Br)=C1 17060 [0,1,0,0,0,1|1,0,0]=3 224 B8R1.4 CC1=CN=CC(Br)=N1 26267 [0,1,0,0,0,1|1,0,0]=3 225 B8R1.4 CC1=CN=CC(C)=C1 27053 [0,1,0,0,0,1|1,0,0]=3 226 B8R1.4 CC1=CN=CC(Cl)=C1 28865 [0,1,0,0,0,1|1,0,0]=3 227 B8R1.4 CC1=CN=CC(F)=C1 17150 [0,1,0,0,0,1|1,0,0]=3 228 B8R1.4 CC1=CN=CC(N)=C1 17044 [0,1,0,0,0,1|1,0,0]=3 229 B8R1.4 CC1=CN=CC(N)=C1 29247 [0,1,0,0,0,1|1,0,0]=3 230 B8R1.4 CC1=CN=NC(=O)C1 26419 [0,1,0,0,0,1|0,0,1]=3 231 B8R1.4 CC1=CN=NC(Cl)=C1 26294 [0,1,0,0,0,1|0,0,1]=3 232 B8R1.4 CC1=NC=CC(Cl)=C1 27551 [0,1,0,0,0,1|2,0,0]=4 233 B8R1.4 ClC1=CC(Br)=NC=C1 28806 [0,1,0,0,0,1|2,0,0]=4 234 B8R1.4 ClC1=CC(Cl)=NC=C1 28447 [0,1,0,0,0,1|2,0,0]=4 235 B8R1.4 ClC1=CC(Cl)=NC=N1 24509 [0,1,0,0,0,1|2,0,0]=4 236 B8R1.4 ClC1=CC(Cl)=NN=C1 31470 [0,1,0,0,0,1|1,0,1]=4 237 B8R1.4 ClC1=CN=CC(Br)=C1 28866 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.4 ClC1=CN=CC(Cl)=C1 27047 [0,1,0,0,0,1|2,0,0]=4 239 B8R1.4 ClC1=CN=CC(Cl)=N1 24510 [0,1,0,0,0,1|2,0,0]=4 240 B8R1.4 ClC1=NC(Cl)=NC=C1 24507 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.4 ClC1=NC=CC(Br)=C1 28805 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.4 ClC1=NC=CC(I)=C1 28566 [0,1,0,0,0,1|2,0,0]=4 243 B8R1.4 FC1=CC(Br)=NC=C1 26279 [0,1,0,0,0,1|2,0,0]=4 244 B8R1.4 FC1=CC(I)=CC=N1 28675 [0,1,0,0,0,1|2,0,0]=4 245 B8R1.4 FC1=CN=CC(Br)=C1 28847 [0,1,0,0,0,1|2,0,0]=4 246 B8R1.4 NC1=CC(Br)=CC=N1 17206 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.4 NC1=CC(Cl)=NC=C1 16972 [0,1,0,0,0,1|2,0,0]=4 248 B8R1.4 NC1=CC(F)=NC=C1 17653 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.4 NC1=CC(O)=CN=C1 19077 [0,1,0,0,0,1|2,0,0]=4 250 B8R1.4 NC1=CC=NC(Br)=C1 28521 [0,1,0,0,0,1|2,0,0]=4 251 B8R1.4 NC1=CC=NC(O)=C1 18971 [0,1,0,0,0,1|2,0,0]=4 252 B8R1.4 NC1=CN=CC(Br)=C1 17002 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.4 NC1=CN=CC(Cl)=C1 17737 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.4 NC1=CN=CC(F)=C1 31748 [0,1,0,0,0,1|2,0,0]=4 255 B8R1.4 NC1=NC(=O)NC=C1 00814 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.4 NC1=NC(Cl)=NC=C1 23191 [0,1,0,0,0,1|2,0,0]=4 257 B8R1.4 NC1=NC=CC(Cl)=C1 17039 [0,1,0,0,0,1|2,0,0]=4 258 B8R1.4 NC1=NC=CC(Cl)=C1 29410 [0,1,0,0,0,1|2,0,0]=4 259 B8R1.4 NC1=NC=CC(O)=C1 17441 [0,1,0,0,0,1|2,0,0]=4 260 B8R1.4 O=C1C=C(Br)C=CN1 29326 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.4 O=C1C=CNC(=O)N1 31792 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.4 O=C1C=CNC(=O)N1 33050 [0,1,0,0,0,1|2,0,0]=4 263 B8R1.4 O=C1C=CNC(=S)N1 21934 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.4 O=C1C=NNC(=O)N1 22023 [0,1,0,0,0,1|1,0,0]=3 265 B8R1.4 OC1=CC(O)=NC=N1 27415 [0,1,0,0,0,1|2,0,0]=4 266 B8R1.4 OC1=CC=NC(Cl)=C1 28524 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.4 OC1=CN=CC(Br)=C1 28369 [0,1,0,0,0,1|2,0,0]=4 268 B8R1.4 OC1=NC=CC(S)=N1 21484 [0,1,0,0,0,1|2,0,0]=4 269 B8R1.4 S=C1C=CNC(=S)N1 21607 [0,1,0,0,0,1|2,0,0]=4 270 B8R1.5 BrC1=C(Br)N=CC=C1 28249 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.5 BrC1=CC=NC=C1Br 28250 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.5 CC1=C(Br)C=CC=N1 17037 [0,1,0,0,0,1|2,0,0]=4 273 B8R1.5 CC1=C(Br)N=CC=C1 28290 [0,1,0,0,0,1|1,0,0]=3 274 B8R1.5 CC1=C(Cl)C=CC=N1 28853 [0,1,0,0,0,1|2,0,0]=4 275 B8R1.5 CC1=C(Cl)N=CC=C1 28262 [0,1,0,0,0,1|1,0,0]=3 276 B8R1.5 CC1=C(F)C=CC=C1 30019 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.5 CC1=C(F)C=NC=C1 28867 [0,1,0,0,0,1|1,0,0]=3 278 B8R1.5 CC1=C(N)C=CC=N1 17034 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.5 CC1=CC=CN=C1F 27598 [0,1,0,0,0,1|1,0,0]=3 280 B8R1.5 CC1=CC=CN=C1I 28830 [0,1,0,0,0,1|1,0,0]=3 281 B8R1.5 CC1=CC=CN=C1N 27031 [0,1,0,0,0,1|1,0,0]=3 282 B8R1.5 CC1=CC=CN=C1O 27920 [0,1,0,0,0,1|1,0,0]=3 283 B8R1.5 CC1=CN=CC=C1Br 17700 [0,1,0,0,0,1|1,0,0]=3 284 B8R1.5 CC1=CN=CC=C1Br 28527 [0,1,0,0,0,1|1,0,0]=3 285 B8R1.5 CC1=CN=CC=C1N 28541 [0,1,0,0,0,1|1,0,0]=3 286 B8R1.5 CC1=NC=CC=C1F 29136 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.5 CC1=NC=CC=C1I 29187 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.5 CC1=NC=CN=C1C 31192 [0,1,0,0,0,1|1,0,0]=3 289 B8R1.5 CC1=[N+]([O-])C=CC=C1 26990 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.5 ClC1=C(Br)C=CC=N1 28244 [0,1,0,0,0,1|2,0,0]=4 291 B8R1.5 ClC1=C(Br)N=CC=C1 28827 [0,1,0,0,0,1|2,0,0]=4 292 B8R1.5 ClC1=C(Cl)C=NC=C1 28567 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.5 ClC1=C(I)C=CC=N1 28368 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.5 ClC1=CC=CN=C1Cl 27002 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.5 ClC1=CC=NC=C1Br 28245 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.5 ClC1=CN=CC=C1Br 24033 [0,1,0,0,0,1|2,0,0]=4 297 B8R1.5 FC1=C(Br)C=CC=N1 28839 [0,1,0,0,0,1|2,0,0]=4 298 B8R1.5 FC1=CC=CN=C1Br 28855 [0,1,0,0,0,1|2,0,0]=4 299 B8R1.5 FC1=CC=CN=C1Cl 28717 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.5 FC1=CC=NC=C1Cl 28887 [0,1,0,0,0,1|2,0,0]=4 301 B8R1.5 FC1=CN=CN=C1Cl 24027 [0,1,0,0,0,1|1,0,1]=4 302 B8R1.5 FC1=NC=CC=C1Cl 28856 [0,1,0,0,0,1|2,0,0]=4 303 B8R1.5 FC1=NC=CC=C1I 28713 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.5 NC1=C(Br)N=CC=C1 17019 [0,1,0,0,0,1|2,0,0]=4 305 B8R1.5 NC1=C(Cl)C=CC=N1 17023 [0,1,0,0,0,1|2,0,0]=4 306 B8R1.5 NC1=C(Cl)C=NC=C1 17261 [0,1,0,0,0,1|2,0,0]=4 307 B8R1.5 NC1=C(I)C=CC=N1 28533 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.5 NC1=C(O)C=CN=C1 17149 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.5 NC1=C(O)C=NC=C1 26270 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.5 NC1=CC=CN=C1Cl 16971 [0,1,0,0,0,1|2,0,0]=4 311 B8R1.5 NC1=CC=CN=C1F 17335 [0,1,0,0,0,1|2,0,0]=4 312 B8R1.5 NC1=CC=CN=C1I 29050 [0,1,0,0,0,1|2,0,0]=4 313 B8R1.5 NC1=CC=CN=C1N 24516 [0,1,0,0,0,1|2,0,0]=4 314 B8R1.5 NC1=CC=CN=C1O 28734 [0,1,0,0,0,1|2,0,0]=4 315 B8R1.5 NC1=CC=NC=C1Br 28582 [0,1,0,0,0,1|2,0,0]=4 316 B8R1.5 NC1=CC=NC=C1F 28257 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.5 NC1=CN=CC=C1Br 18983 [0,1,0,0,0,1|2,0,0]=4 318 B8R1.5 NC1=CN=CC=C1Cl 17040 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.5 NC1=CN=CC=C1I 17273 [0,1,0,0,0,1|2,0,0]=4 320 B8R1.5 NC1=CN=CN=C1Cl 26197 [0,1,0,0,0,1|1,0,1]=4 321 B8R1.5 NC1=CN=CN=C1O 26403 [0,1,0,0,0,1|1,0,1]=4 322 B8R1.5 NC1=NC=CC=C1Br 28705 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.5 NC1=NC=CC=C1F 18902 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.5 NC1=NC=CC=C1O 16974 [0,1,0,0,0,1|2,0,0]=4 325 B8R1.5 O=C1NC=CC=C1Cl 29245 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.5 OC1=C(I)N=CC=C1 27478 [0,1,0,0,0,1|2,0,0]=4 327 B8R1.5 OC1=CC=CN=C1Br 26999 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.5 OC1=CC=CN=C1Cl 27006 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.5 OC1=NC=CC=C1Br 28737 [0,1,0,0,0,1|2,0,0]=4 330 B8R1.1 CC1=CNC(C=O)=N1 18048 [0,2,0,0,0,0|2,0,0]=4 331 B8R1.1 CC1=NOC(CN)=C1 19321 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.1 CCC1=NC(C)=CN1 26930 [0,2,0,0,0,0|2,0,0]=4 333 B8R1.1 CCC1=NNC(N)=C1 17738 [0,2,0,0,0,0|2,0,0]=4 334 B8R1.1 CCN1C=C[N+](C)=C1 31319 [0,2,0,0,0,0|2,0,0]=4 335 B8R1.1 CCN1C=C[N+](C)=C1 31410 [0,2,0,0,0,0|2,0,0]=4 336 B8R1.1 CCN1C=C[N+](C)=C1 31411 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.1 CN1C=C(C=O)C=N1 16984 [0,2,0,0,0,0|0,0,1]=3 338 B8R1.1 CN1C=C(CN)C=N1 17300 [0,2,0,0,0,0|0,0,0]=2 339 B8R1.1 CN1C=NC(CO)=C1 17817 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.1 NCC1=CC(=O)NO1 09524 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.1 O=CC1=CC(I)=CN1 26177 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.7 CC(=O)C1=CSC=C1 26949 [0,2,0,0,0,0|2,0,0]=4 343 B8R1.7 CC(=O)N1C=CN=C1 02273 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.7 CC(C)N1C=CN=C1 28263 [0,2,0,0,0,0|2,0,0]=4 345 B8R1.7 CC(N)C1=CC=NO1 18519 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.7 CC(N)C1=COC=C1 18499 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.7 NC(=S)C1=CON=C1 19428 [0,2,0,0,0,0|1,0,1]=4 348 B8R1.7 O=C(O)C1=CON=C1 18200 [0,2,0,0,0,0|1,0,1]=4 349 B8R1.7 O=[N+]([O-])C1=CNN=C1 28112 [0,2,0,0,0,0|1,0,0]=3 350 B8R1.8 C=CCN1C=CN=C1 27535 [0,2,0,0,0,0|2,0,0]=4 351 B8R1.8 CCCN1C=CN=C1 27748 [0,2,0,0,0,0|2,0,0]=4 352 B8R1.8 NCCC1=CNC=N1 00178 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.8 NCCC1=CNC=N1 21888 [0,2,0,0,0,0|2,0,0]=4 354 B8R1.8 NCCC1=CNC=N1 32474 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.8 NCCC1=CON=C1 18732 [0,2,0,0,0,0|1,0,0]=3 356 B8R1.8 NCCC1=CSC=C1 26286 [0,2,0,0,0,0|2,0,0]=4 357 B8R1.8 NCCN1C=CN=C1 23546 [0,2,0,0,0,0|2,0,0]=4 358 B8R1.8 NCCN1C=CN=C1 23717 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.8 OCCC1=CNN=C1 17325 [0,2,0,0,0,0|0,0,0]=2 360 B8R1.8 OCCC1=NNN=N1 17932 [0,2,0,0,0,0|2,0,0]=4 361 B8R1.11 CC1=NNC=C1C=O 24725 [0,2,0,0,0,0|0,0,1]=3 362 B8R1.11 CCN1C=CN=C1Cl 24053 [0,2,0,0,0,0|2,0,0]=4 363 B8R1.11 N#CC1=CNN=C1N 24488 [0,2,0,0,0,0|0,0,1]=3 364 B8R1.11 N#CC1=NNC=C1Br 24716 [0,2,0,0,0,0|1,0,0]=3 365 B8R1.18 CC1=CC(=O)OC1=O 02295 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.18 CC1=NN(C)C(N)=C1 16993 [0,2,0,0,0,0|2,0,0]=4 367 B8R1.18 CC1=NN(C)C=C1N 26223 [0,2,0,0,0,0|1,0,0]=3 368 B8R1.50 BrC1=NNC(Br)=C1Br 27570 [0,2,0,0,0,0|1,0,0]=3 369 B8R1.50 CC1=NNC(C)=C1Br 25055 [0,2,0,0,0,0|1,0,0]=3 370 B8R1.50 CC1=NOC(C)=C1Br 27803 [0,2,0,0,0,0|2,0,0]=4 371 B8R1.50 CC1=NOC(N)=C1Cl 29103 [0,2,0,0,0,0|2,0,0]=4 372 B6R1.1 C1=CC=NC=C1 00762 [0,0,1,1,0,0|1,0,1]=4 373 B6R1.1 C1=CC=NC=C1 02006 [0,0,1,1,0,0|1,0,1]=4 374 B6R1.1 C1=CC=NC=C1 14289 [0,0,1,1,0,0|1,0,1]=4 375 B6R1.1 C1=CC=NC=C1 16894 [0,0,1,1,0,0|1,0,1]=4 376 B6R1.1 C1=CC=NC=C1 27333 [0,0,1,1,0,0|1,0,1]=4 377 B6R1.1 C1=CC=NC=C1 29993 [0,0,1,1,0,0|1,0,1]=4