0 B10R1.20 BrCC1=C(CBr)C=CC=C1 DY20537 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 CCC1=C(C=O)C=CC=C1 DY20141 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.20 CCC1=C(CO)C=CC=C1 DY451342 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.20 CCC1=C(NN)C=CC=C1 NO15134 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.20 CNC1=C(OC)C=CC=C1 DY790233 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.20 COC1=C(C=O)C=CC=N1 NO20317 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.20 COC1=C(CCl)C=CC=C1 DY20247 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.20 COC1=C(CN)C=CC=C1 NO15681 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.20 COC1=C(OC)C=CC=C1 NO12067 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.20 COC1=CC=CN=C1C#N DY10410 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.20 COC1=CC=CN=C1CBr NO13321 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.20 COC1=CC=CN=C1CN NO18076 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.20 COC1=CC=CN=C1CO DY558123 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.20 COC1=CC=CN=C1OC NO14783 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.20 COC1=CN=CN=C1OC DY568485 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.20 COC1=NC=CC=C1CCl DY606789 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.20 COC1=NC=CC=C1CCl NO16832 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.20 COC1=NC=CC=C1CN NO14780 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.20 COC1=NC=CC=C1CN NO17327 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.20 COC1=NC=CC=C1CO NO13650 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.20 COC1=NC=CN=C1OC DY710611 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.20 ClCC1=C(CCl)C=CC=C1 DY563247 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.20 ICC1=NC=CN=C1CI DY710833 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.20 N#CC1=C(CBr)N=CC=C1 NO16812 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.20 N#CC1=NC=CC=C1CBr NO22182 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.20 NCC1=C(CO)C=CC=C1 NO13269 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.20 OCC1=C(CBr)C=CC=C1 NO17090 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.20 OCC1=CC=CN=C1CO DY554235 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.15 CC1=C(CBr)C=CC=C1 NO14791 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 CC1=CC=CN=C1C#N NO20234 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.15 CC1=CC=CN=C1C=O NO14987 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.15 CC1=CC=CN=C1CCl NO15725 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.15 CC1=CC=CN=C1CO NO19225 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.15 CC1=NC=CC=C1CBr DY520989 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.15 CC1=NC=CC=C1CO NO20145 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 CCC1=C(Br)C=CC=C1 NO20980 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.15 CCC1=C(C)C=CC=C1 NO21536 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.15 CCC1=C(I)C=CC=C1 DY534201 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.15 CCC1=CC=CN=C1C DY522489 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.15 CCC1=CN=CN=C1Cl DY559413 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.15 CCC1=NC=CN=C1Cl NO21430 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.15 CCC1=NC=NC=C1F NO19573 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.15 CNC1=NC=CC=C1Br NO17281 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 COC1=C(C)C=CC=C1 DY561483 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.15 COC1=CC=CN=C1Br NO19255 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 COC1=CC=CN=C1Cl NO19305 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 COC1=CC=CN=C1F NO13044 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.15 COC1=CC=CN=C1N NO17216 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.15 COC1=NC=CC=C1Br DY715700 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.15 COC1=NC=CC=C1Br NO19258 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.15 COC1=NC=CC=C1Cl NO18705 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 COC1=NC=CC=C1F NO19564 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.15 COC1=NC=CC=C1I NO13512 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 COC1=NC=CC=C1N NO19526 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.15 COC1=NC=CN=C1Br NO12288 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.15 COC1=NC=CN=C1Cl NO14291 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.15 COC1=NC=CN=C1N DY441119 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 CSC1=CC=CN=C1Cl DY452032 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 ClC1=CC=CN=C1CBr DY116292 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 ClC1=NC=CN=C1CBr DY709861 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 ClCC1=NC=CC=C1Br DY656902 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.15 ClCC1=NC=CN=C1Cl NO12698 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 N#CC1=NC=CN=C1Br DY443142 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.15 N#CC1=NC=CN=C1Cl NO22668 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.15 N#CC1=NC=CN=C1N NO22107 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.15 N#CC1=NC=CN=C1O DY710797 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.15 NC1=NC=CC=C1CO NO13983 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 NC1=NC=CN=C1C=O NO13122 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.15 NCC1=CC=CN=C1F DY538641 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 NCC1=NC=CC=C1Br DY713191 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 NCC1=NC=CC=C1N DY654384 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 NCC1=NC=CN=C1Cl NO14522 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.15 NCC1=NC=CN=C1Cl NO14728 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.15 OCC1=CC=CN=C1Cl NO14328 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 OCC1=CC=CN=C1F NO18697 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 OCC1=NC=CC=C1Cl NO17318 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 OCC1=NC=CC=C1O DY20200 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 DY584341 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.37 CCC1=C(CO)C=CC(Br)=C1 DY452560 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.37 COC1=C(OC)N=CC(N)=C1 NO15128 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.37 COC1=C(OC)N=CC(O)=C1 DY509696 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.37 COC1=CC(Cl)=CN=C1OC DY713233 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.37 COC1=NC(Br)=CC=C1CN NO17510 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.37 COC1=NC(Br)=CC=C1CO NO17509 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.37 COC1=NC(N)=CN=C1C#N DY507560 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.37 COC1=NC=C(Br)C=C1CO DY443486 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.37 COC1=NC=C(Br)N=C1NN DY710473 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.37 COC1=NC=C(Br)N=C1OC NO14846 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.37 ClCC1=CC(Br)=CN=C1CCl DY659450 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.37 ClCC1=CC=C(Cl)N=C1CCl DY660964 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.41 CNCC1=C(OC)C=CC=C1 DY584503 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.41 COC1=C(CCO)C=CC=C1 NO15749 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.41 COC1=NC=CC=C1CC#N DY653828 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.41 COCC1=CC=CN=C1C#N DY656704 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.41 COCC1=CC=CN=C1CCl DY714212 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 NO12568 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.53 CCC1=CC=CN=C1C(=N)N DY712729 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.53 CN(C)C1=CC=CN=C1CN DY654378 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.53 COC1=C(C(C)N)C=CC=C1 DY553119 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 NO15754 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.53 COC1=CC=CN=C1C(C)=O NO16598 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.53 COC1=NC=CC=C1C(C)N DY652190 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.53 COC1=NC=CN=C1C(=O)O NO16473 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.265 COC1=NC=CC(Cl)=C1OC DY714980 [0,1,0,0,0,0|3,0,0]=4 104 B11R2.1 CC1CCC2=NC=CN=C21 DY543411 [0,0,0,1,0,0|0,0,0]=1 105 B11R2.1 CC1CNC2=NC=CC=C21 DY739061 [0,0,0,1,0,0|2,0,0]=3 106 B11R2.1 NC1CCC2=CC=CC=C21 NO19275 [0,0,0,1,0,0|3,0,0]=4 107 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 NO19803 [0,0,0,1,0,0|3,0,0]=4 108 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO16005 [0,0,0,1,0,0|3,0,0]=4 109 B11R2.1 N[C@H]1CCC2=CC=CC=C21 NO20307 [0,0,0,1,0,0|3,0,0]=4 110 B11R2.1 N[C@H]1CCC2=NC=CC=C21 DY515745 [0,0,0,1,0,0|2,0,0]=3 111 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [0,0,0,1,0,0|2,0,1]=4 112 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [0,0,0,1,0,0|2,0,1]=4 113 B11R2.1 OC1CCC2=CC=CN=C21 NO10573 [0,0,0,1,0,0|2,0,0]=3 114 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 DY567765 [0,0,0,1,0,0|3,0,0]=4 115 B11R2.20 C1=CC2=C(CCCC2)N=C1 NO13407 [0,0,0,1,0,0|1,0,0]=2 116 B11R2.20 C1=CC2=C(CCNC2)N=C1 NO14841 [0,0,0,1,0,0|2,0,0]=3 117 B11R2.20 C1=CC2=C(N=C1)NCCN2 NO12464 [0,0,0,1,0,0|3,0,0]=4 118 B11R2.20 C1=CC=C2CNCCC2=C1 NO19412 [0,0,0,1,0,0|3,0,0]=4 119 B11R2.20 C1=CC=C2COCCC2=C1 NO19933 [0,0,0,1,0,0|3,0,0]=4 120 B11R2.20 C1=CN=C2NCCCC2=C1 NO20465 [0,0,0,1,0,0|2,0,0]=3 121 B11R2.20 C1=NC2=C(CCCC2)N=C1 NO14173 [0,0,0,1,0,0|0,0,0]=1 122 B11R2.20 C1=NC=NC2=C1CCCC2 DY447449 [0,0,0,1,0,0|2,0,0]=3 123 B11R2.20 C1=NC=NC2=C1CNCC2 NO11914 [0,0,0,1,0,0|3,0,0]=4 124 B11R2.20 C1=NC=NC2=C1CNCC2 NO15273 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.14 CCN1C=CN=C1C=O NO13816 [0,0,0,0,1,0|2,0,1]=4 126 B9R1.14 CCN1C=CN=C1CCl DY609930 [0,0,0,0,1,0|2,0,0]=3 127 B9R1.14 CCN1N=CC=C1C#N DY606885 [0,0,0,0,1,0|2,0,1]=4 128 B9R1.14 CCN1N=CC=C1C=O DY578787 [0,0,0,0,1,0|2,0,1]=4 129 B8R1.2 BrCC1=NC=CN=C1 DY710893 [2,0,0,0,0,0|1,0,0]=3 130 B8R1.2 CCC1=CC=CN=C1 NO22277 [2,0,0,0,0,0|1,0,0]=3 131 B8R1.2 CCC1=NC=CN=C1 NO21534 [2,0,0,0,0,0|0,0,0]=2 132 B8R1.2 CNC1=CC=CN=C1 NO13856 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.2 COC1=CC=CN=C1 NO22348 [2,0,0,0,0,0|2,0,0]=4 134 B8R1.2 COC1=NC=CC=C1 NO18780 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.2 COC1=NC=CN=C1 NO17887 [2,0,0,0,0,0|1,0,0]=3 136 B8R1.2 CSC1=NC=CN=C1 DY541389 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.2 ClCC1=CC=CN=C1 NO19291 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.2 ClCC1=NC=CC=C1 NO19289 [2,0,0,0,0,0|2,0,0]=4 139 B8R1.2 N#CC1=NC=CN=C1 NO17380 [2,0,0,0,0,0|1,0,1]=4 140 B8R1.2 NCC1=CC=CN=C1 NO14226 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 NCC1=NC=CC=C1 DY663911 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.2 NCC1=NC=CN=C1 DY710323 [2,0,0,0,0,0|1,0,0]=3 143 B8R1.2 NCC1=NC=CN=C1 NO19691 [2,0,0,0,0,0|1,0,0]=3 144 B8R1.2 NCC1=NC=CN=C1 NO20245 [2,0,0,0,0,0|1,0,0]=3 145 B8R1.2 O=CC1=NC=CN=C1 NO18375 [2,0,0,0,0,0|1,0,1]=4 146 B8R1.2 OCC1=CC=CN=C1 NO22409 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 OCC1=NC=CC=C1 NO19164 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 OCC1=NC=CN=C1 NO21749 [2,0,0,0,0,0|1,0,0]=3 149 B8R1.5 BrC1=NC=CN=C1Br NO12573 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.5 CC1=CC=CC=C1C DY41549 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.5 CC1=CC=CN=C1Br NO23002 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.5 CC1=CC=CN=C1C NO21050 [2,0,0,0,0,0|1,0,0]=3 153 B8R1.5 CC1=CC=CN=C1Cl NO13857 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.5 CC1=CC=CN=C1F NO19328 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.5 CC1=CC=CN=C1N NO13775 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.5 CC1=NC=CC=C1Br DY20012 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.5 CC1=NC=CC=C1F NO19850 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.5 CC1=NC=CC=C1N NO19518 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.5 CC1=NC=CN=C1Br NO12416 [2,0,0,0,0,0|1,0,0]=3 160 B8R1.5 CC1=NC=CN=C1C NO10108 [2,0,0,0,0,0|0,0,0]=2 161 B8R1.5 CC1=NC=CN=C1Cl NO17680 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.5 CC1=NC=CN=C1N NO21232 [2,0,0,0,0,0|1,0,0]=3 163 B8R1.5 CC1=NC=CN=C1O NO21577 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.5 IC1=NC=CN=C1I DY709897 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.5 NC1=NC=CN=C1Br NO21229 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.5 NC1=NC=CN=C1Cl NO18423 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.5 NC1=NC=CN=C1F DY710113 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.5 NC1=NC=CN=C1I NO12456 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.5 NC1=NC=CN=C1N DY517323 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.5 NC1=NC=CN=C1O NO21231 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.2 COC1=NC=CC(N)=C1C DY655916 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.4 CC1=NC=CC=C1CCN DY653840 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.4 CCOC1=CC=CN=C1Br DY712381 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.4 CCOC1=CC=CN=C1Cl DY564873 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.4 CCOC1=NC=CC=C1Br DY452812 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.4 CCOC1=NC=CN=C1N NO21230 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.4 CNCC1=CC=CN=C1C DY711673 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.4 CNCC1=CC=CN=C1Cl DY610776 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.4 NCCC1=CC=CN=C1Cl DY585655 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.25 CC1=CC(F)=CN=C1CN DY651571 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.25 CC1=CN=C(CCl)C(C)=C1 NO16524 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.25 CCc1ncc(C)nc1C DY793773 [1,1,0,0,0,0|0,0,0]=2 183 B10R1.25 COC1=C(C)C=C(N)C=N1 NO15363 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.25 COC1=C(C)N=C(N)C=N1 DY710815 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.25 COC1=NC=C(Br)C=C1C NO17558 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.25 COC1=NC=C(C)N=C1C NO15176 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.30 CC1=NC=C(Br)C=C1CN DY656602 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.30 CC1=NC=C(Br)C=C1CO DY518829 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.30 CCC1=NC(C)=CC=C1O NO13984 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.30 CCC1=NC(C)=CN=C1C DY710767 [1,1,0,0,0,0|0,0,0]=2 191 B10R1.30 CCC1=NC(Cl)=NC=C1C DY606669 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.30 COC1=NC(Br)=CN=C1I NO16000 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.30 COC1=NC(Br)=CN=C1N NO12445 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.30 COC1=NC(Cl)=CN=C1N NO12869 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.61 CC(=O)C1=CC=CN=C1C DY652208 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.61 CC(=O)C1=NC=CN=C1N NO15534 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.61 CC(N)C1=CC=CN=C1F DY714055 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.61 CC1=C(C(C)N)C=CC=C1 DY788943 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.61 CC1=C([C@H](C)O)C=CC=C1 DY822244 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.61 CC1=CC=CN=C1C(C)N DY604773 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.61 CC1=NC=CN=C1C(=O)O NO19744 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.61 CC1=NC=CN=C1N(C)C DY710281 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.61 CN(C)C1=NC=CN=C1N NO21223 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.61 C[C@@H](N)C1=NC=CC=C1Br DY621531 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.61 C[C@H](O)C1=CC=CN=C1N DY581181 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.245 COC1=C(N)C=CN=C1C DY608435 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.5 CCC1=NC=CN1CCCl DY609163 [0,1,0,0,1,0|1,0,0]=3 208 B10R1.5 CCCN1C=CN=C1CN DY605363 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.32 CCC1=C(CO)SC(C)=N1 DY605869 [0,1,0,0,1,0|2,0,0]=4 210 B10R1.32 CCN1N=C(C)C=C1CO DY586105 [0,1,0,0,1,0|2,0,0]=4 211 B10R1.39 CCN1C=NN=C1C(C)N DY603466 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.448 CCC1=C(CC)N=C(Cl)C(Cl)=N1 DY431506 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.75 CC(C)OC1=NC=CC=C1CO DY450310 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.169 CCOC1=C(CCN)C=CC=C1 DY795099 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.169 CCOC1=C(OCC)C=CC=C1 DY792861 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 DY605092 [0,2,0,0,0,0|2,0,0]=4 217 B10R2.7 C1=CN=C2CCCC2=C1 NO14838 [1,0,0,1,0,0|1,0,0]=3 218 B10R2.7 C1=CN=C2CCNC2=C1 DY107728 [1,0,0,1,0,0|2,0,0]=4 219 B10R2.7 C1=CN=C2CNCC2=C1 DY565581 [1,0,0,1,0,0|2,0,0]=4 220 B10R2.7 C1=CN=C2CNCC2=C1 NO15341 [1,0,0,1,0,0|2,0,0]=4 221 B10R2.32 OC1CCC2=C1OC=N2 DY539631 [0,0,0,1,1,0|2,0,0]=4 222 B12R2.24 BrC1=CC=C2CCCCC2=C1 NO16753 [0,1,0,1,0,0|2,0,0]=4 223 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 DY100126 [0,1,0,1,0,0|2,0,0]=4 224 B12R2.24 CC1=CC=C2CCCCC2=C1 NO10746 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.24 CN1CCC2=CC=CC=C2C1 NO16157 [0,1,0,1,0,0|2,0,0]=4 226 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 DY674829 [0,1,0,1,0,0|2,0,0]=4 227 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 NO16899 [0,1,0,1,0,0|1,0,0]=3 228 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 NO12512 [0,1,0,1,0,0|2,0,0]=4 229 B12R2.24 NC1=CC2=C(C=C1)CCCC2 DY541887 [0,1,0,1,0,0|2,0,0]=4 230 B12R2.24 NC1=CC2=C(CCNC2)N=C1 DY582183 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.24 NC1=NC2=C(C=C1)CCCC2 DY521631 [0,1,0,1,0,0|1,0,0]=3 232 B12R2.24 NC1CCC2=CC=CC=C2C1 NO18799 [0,1,0,1,0,0|2,0,0]=4 233 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 DY765191 [0,1,0,1,0,0|2,0,0]=4 234 B12R2.24 O=C1CCC2=C(C1)N=CC=C2 DY798129 [0,1,0,1,0,0|1,0,1]=4 235 B12R2.24 OC1=CC2=C(C=C1)CCCC2 NO13514 [0,1,0,1,0,0|2,0,0]=4 236 B12R2.1081 BrC1=C2CCCCC2=CC=C1 DY768527 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.1081 CC1CCNC2=CC=CC=C21 NO17518 [0,1,0,1,0,0|2,0,0]=4 238 B12R2.1081 CC1CNCC2=CC=CC=C21 NO17240 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.1081 CC1NCCC2=CC=CC=C21 NO12178 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.1081 CC1NCCC2=CC=CC=C21 NO15270 [0,1,0,1,0,0|2,0,0]=4 241 B12R2.1081 C[C@@H]1CNCC2=CC=CC=C21 DY550353 [0,1,0,1,0,0|2,0,0]=4 242 B12R2.1081 ClC1=CC=NC2=C1CCCC2 NO16900 [0,1,0,1,0,0|1,0,0]=3 243 B12R2.1081 IC1CCCC2=CC=CC=C21 DY528825 [0,1,0,1,0,0|2,0,0]=4 244 B12R2.1081 NC1CCCC2=C1N=CC=C2 DY677043 [0,1,0,1,0,0|1,0,0]=3 245 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 DY551577 [0,1,0,1,0,0|1,0,0]=3 246 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 NO13980 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.1081 O=C1CCCC2=C1C=CC=N2 NO18351 [0,1,0,1,0,0|1,0,1]=4 248 B12R2.1081 O=C1CCCC2=C1N=CC=C2 NO15049 [0,1,0,1,0,0|1,0,1]=4 249 B12R2.1081 O=C1CCCC2=C1N=CC=N2 DY680102 [0,1,0,1,0,0|0,0,1]=3 250 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 DY555243 [0,1,0,1,0,0|1,0,0]=3 251 B12R2.2028 CC1NC(C)C2=CC=CC=C21 DY541491 [0,1,0,1,0,0|2,0,0]=4 252 B12R2.2403 CC1(N)CCC2=CC=CC=C21 DY742447 [0,1,0,1,0,0|2,0,0]=4 253 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 NO12906 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.11 CC1=C(CN)SC=C1 DY609391 [1,0,0,0,1,0|2,0,0]=4 255 B8R1.11 CC1=C(CO)N=CN1 DY546951 [1,0,0,0,1,0|1,0,1]=4 256 B8R1.11 CC1=C(CO)NC=N1 NO14250 [1,0,0,0,1,0|1,0,1]=4 257 B8R1.11 CC1=C(CO)SC=N1 DY537087 [1,0,0,0,1,0|2,0,0]=4 258 B8R1.11 CC1=NOC=C1CN DY773325 [1,0,0,0,1,0|2,0,0]=4 259 B8R1.11 CC1=NOC=C1CO DY773595 [1,0,0,0,1,0|2,0,0]=4 260 B8R1.11 CC1=NON=C1CN DY508484 [1,0,0,0,1,0|2,0,0]=4 261 B8R1.11 CCC1=CNN=C1N NO14342 [1,0,0,0,1,0|2,0,0]=4 262 B8R1.11 CCC1=NNC=C1Br DY607581 [1,0,0,0,1,0|2,0,0]=4 263 B8R1.11 CCC1=NNC=C1C DY647288 [1,0,0,0,1,0|1,0,0]=3 264 B8R1.11 CCN1C=CN=C1C DY540057 [1,0,0,0,1,0|1,0,0]=3 265 B8R1.11 CCN1N=CC=C1I DY645242 [1,0,0,0,1,0|2,0,0]=4 266 B8R1.11 CN1C=CN=C1CBr DY725449 [1,0,0,0,1,0|2,0,0]=4 267 B8R1.11 CN1C=CN=C1CCl DY726283 [1,0,0,0,1,0|2,0,0]=4 268 B8R1.11 CN1C=CN=C1CO NO13833 [1,0,0,0,1,0|2,0,0]=4 269 B8R1.11 CN1N=CC=C1CCl DY607925 [1,0,0,0,1,0|2,0,0]=4 270 B8R1.11 CN1N=CN=C1CN DY769947 [1,0,0,0,1,0|2,0,0]=4 271 B8R1.11 CNC1=NC=CN1C DY725947 [1,0,0,0,1,0|2,0,0]=4