0 B7R1.1 BrCC1=CCCC1 SPC-n905 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.1 ClCC1=CSC=N1 SPC-g086 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 N#CC1=CC=CN1 SPC-m922 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.1 N#CC1=COC=N1 SPC-n935 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 N#CC1=NC=CN1 SPC-h841 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 N#CC1=NC=CN1 SPC-m914 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 N#CC1=NOC=C1 SPC-n930 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 NCC1=CN=CO1 SPC-u502 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.1 NCC1=CN=CS1 SPC-n637 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.1 NCC1=CNC=N1 SPC-n641 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 NCC1=CNN=C1 SPC-h529 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 NCC1=CNN=C1 SPC-u445 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 NCC1=COC=N1 SPC-n934 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 NCC1=CON=C1 SPC-t984 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 NCC1=NC=CS1 SPC-m756 [0,0,0,0,0,0|2,1,0]=3 15 B7R1.1 NCC1=NOC=C1 SPC-k851 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 O=CC1=CC=NN1 SPC-p008 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.1 O=CC1=CN=CS1 SPC-s113 [0,0,0,0,0,0|1,1,2]=4 18 B7R1.1 O=CC1=COC=N1 SPC-m897 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.1 O=CC1=CSC=C1 SPC-g519 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.1 O=CC1=NC=CN1 SPC-n997 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.1 O=CC1=NC=CS1 SPC-s112 [0,0,0,0,0,0|1,1,2]=4 22 B7R1.1 OCC1=CNC=N1 SPC-s789 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.1 OCC1=CNN=C1 SPC-j657 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 OCC1=COC=N1 SPC-k823 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.1 OCC1=NNC=C1 SPC-j656 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.1 OCC1=NOC=C1 SPC-k850 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.1 OCC1CC=CC1 SPC-m309 [0,0,0,0,0,0|1,0,2]=3 28 B7R1.1 OCC1OCCO1 SPC-s002 [0,0,0,0,0,0|1,0,3]=4 29 B6R1.2 BrC1=CC=NN1 SPC-n183 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 CC1=CNC=C1 SPC-m068 [1,0,0,0,0,0|2,0,0]=3 31 B6R1.2 CC1=CNN=C1 SPC-n152 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 CC1=COC=N1 SPC-n151 [1,0,0,0,0,0|2,0,0]=3 33 B6R1.2 CC1=CSC=N1 SPC-g112 [1,0,0,0,0,0|2,0,0]=3 34 B6R1.2 ClC1=CSC=C1 SPC-t726 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 ClC1=CSC=N1 SPC-n125 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 ClC1=NNC=C1 SPC-j937 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 FC1=NNC=C1 SPC-j936 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 IC1=CC=NN1 SPC-p388 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 IC1=NC=CO1 SPC-m994 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 NC1=CC=NN1 SPC-g055 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 NC1=CN=CS1 SPC-u196 [1,0,0,0,0,0|2,1,0]=4 42 B6R1.2 NC1=NC=CN1 SPC-g069 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 NC1=NOC=C1 SPC-j749 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 NN1C=CC=C1 SPC-j724 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,0,0,0|1,0,2]=4 46 B6R1.2 O=C1C=CCO1 SPC-t619 [1,0,0,0,0,0|0,0,2]=3 47 B6R1.2 O=C1C=CNN1 SPC-p382 [1,0,0,0,0,0|2,0,1]=4 48 B6R1.2 OC1CC=CC1 SPC-n355 [1,0,0,0,0,0|1,0,2]=4 49 B6R1.2 ON1C=CC=N1 SPC-r119 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.1 CC1=CC=C(C#N)S1 SPC-p722 [0,1,0,0,0,0|1,1,1]=4 51 B8R1.1 CC1=CN=C(CN)O1 SPC-s089 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.1 CC1=CNC(CO)=N1 SPC-q878 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.1 CCC1=NNC(N)=C1 SPC-m122 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.1 CCN1C=C(N)C=N1 SPC-j655 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.1 CN1C=C(CO)C=N1 SPC-j412 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.1 CN1C=CC(CCl)=N1 SPC-p273 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 CN1C=CC(CN)=N1 SPC-v313 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 CN1C=CC(CO)=N1 SPC-n647 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.1 CN1C=NC(CN)=C1 SPC-k730 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 CN1C=NC(CN)=C1 SPC-n642 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.1 CN1C=NC(CN)=C1 SPC-n643 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.1 N#CC1=CC=C(Br)S1 SPC-g668 [0,1,0,0,0,0|1,1,1]=4 63 B8R1.1 N#CC1=CC=C(F)S1 SPC-h943 [0,1,0,0,0,0|1,1,1]=4 64 B8R1.1 NC1=CC(CO)=NN1 SPC-n731 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.1 NCC1=CC(Br)=CS1 SPC-t617 [0,1,0,0,0,0|1,1,0]=3 66 B8R1.1 NCC1=CC=C(Br)S1 SPC-n794 [0,1,0,0,0,0|1,1,0]=3 67 B8R1.1 NCC1=CC=C(Cl)S1 SPC-r372 [0,1,0,0,0,0|1,1,0]=3 68 B8R1.1 NCC1=CC=C(F)S1 SPC-m163 [0,1,0,0,0,0|1,1,0]=3 69 B8R1.1 NCC1=CSC(Br)=C1 SPC-s699 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.1 NCC1=CSC(Cl)=C1 SPC-j590 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.1 NCC1=NC=C(Br)S1 SPC-r360 [0,1,0,0,0,0|2,1,0]=4 72 B8R1.1 NCC1=NC=C(Cl)S1 SPC-t820 [0,1,0,0,0,0|2,1,0]=4 73 B8R1.1 O=CC1=CC(Br)=CS1 SPC-t562 [0,1,0,0,0,0|0,1,2]=4 74 B8R1.1 OCC1=CC=C(Cl)S1 SPC-j709 [0,1,0,0,0,0|0,1,0]=2 75 B8R1.1 OCC1=CC=C(F)S1 SPC-m162 [0,1,0,0,0,0|0,1,0]=2 76 B8R1.1 OCC1=NC(Br)=CS1 SPC-j950 [0,1,0,0,0,0|1,1,0]=3 77 B8R1.1 OCC1=NC=C(Br)N1 SPC-s697 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.1 OCC1=NC=C(Br)S1 SPC-h007 [0,1,0,0,0,0|1,1,0]=3 79 B8R1.1 OCC1=NC=C(Cl)S1 SPC-j786 [0,1,0,0,0,0|1,1,0]=3 80 B8R1.1 OCC1=NNC(Br)=C1 SPC-s698 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.7 CC(C)N1C=CC=N1 SPC-s737 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.7 O=C(O)C1=CC=CN1 SPC-g146 [0,1,0,0,0,0|1,0,1]=3 83 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.7 O=C(O)C1=COC=N1 SPC-g687 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.7 O=C(O)C1=NNC=C1 SPC-g199 [0,1,0,0,0,0|2,0,1]=4 86 B8R1.8 COCC1=CNN=C1 SPC-v186 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.8 N#CCC1=CN=CN1 SPC-g884 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.8 N#CCC1=NC=CS1 SPC-p262 [0,1,0,0,0,0|2,1,0]=4 89 B8R1.8 NCCC1=CSC=C1 SPC-m942 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.8 OCCC1=CN=CN1 SPC-j620 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.11 BrCC1=C(Br)SC=C1 SPC-j368 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.11 CC1=C(CN)NN=C1 SPC-u271 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.11 CCN1N=CC=C1N SPC-g728 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.11 CN1C=CN=C1CN SPC-u748 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.11 CN1C=NC=C1CN SPC-j569 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.11 CN1C=NC=C1CO SPC-k909 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.11 N#CC1=CC=CN1N SPC-g796 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.11 N#CC1=CC=CN1N SPC-q879 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.11 NCC1=C(Cl)C=CS1 SPC-k815 [0,1,0,0,0,0|1,1,0]=3 100 B8R1.11 OCC1=C(Br)C=CS1 SPC-m799 [0,1,0,0,0,0|0,1,0]=2 101 B8R1.11 OCC1=C(Cl)C=CS1 SPC-k814 [0,1,0,0,0,0|0,1,0]=2 102 B6R1.6 OC[C@H]1CCO1 SPC-a306 [0,0,0,0,1,0|0,0,3]=4 103 B8R1.2 C#CC1=CC=CN=N1 SPC-j174 [0,0,0,0,0,1|2,0,1]=4 104 B8R1.2 C#CC1=CC=NC=C1 SPC-g714 [0,0,0,0,0,1|2,0,1]=4 105 B8R1.2 C#CC1=NC=CN=C1 SPC-v626 [0,0,0,0,0,1|2,0,1]=4 106 B8R1.2 ClCC1=CN=CN=C1 SPC-g979 [0,0,0,0,0,1|3,0,0]=4 107 B8R1.2 ClCC1=NC=CC=N1 SPC-g783 [0,0,0,0,0,1|2,0,0]=3 108 B8R1.2 ClCC1=NC=CN=C1 SPC-i698 [0,0,0,0,0,1|2,0,0]=3 109 B8R1.2 ClCC1=NN=CC=C1 SPC-j100 [0,0,0,0,0,1|2,0,0]=3 110 B8R1.2 N#CC1=NN=CC=C1 SPC-j173 [0,0,0,0,0,1|2,0,1]=4 111 B8R1.2 NCC1=CC=CN=N1 SPC-j018 [0,0,0,0,0,1|2,0,0]=3 112 B8R1.2 NCC1=CC=CN=N1 SPC-q241 [0,0,0,0,0,1|2,0,0]=3 113 B8R1.2 NCC1=CC=NC=C1 SPC-k269 [0,0,0,0,0,1|2,0,0]=3 114 B8R1.2 NCC1=CN=CN=C1 SPC-m828 [0,0,0,0,0,1|3,0,0]=4 115 B8R1.2 NCC1=CN=NC=C1 SPC-j016 [0,0,0,0,0,1|3,0,0]=4 116 B8R1.2 NCC1=NC=CC=N1 SPC-g482 [0,0,0,0,0,1|2,0,0]=3 117 B8R1.2 NCC1=NC=CN=C1 SPC-j017 [0,0,0,0,0,1|2,0,0]=3 118 B8R1.2 NCC1=NC=NC=C1 SPC-j019 [0,0,0,0,0,1|2,0,0]=3 119 B8R1.2 NCC1=NC=NC=C1 SPC-j020 [0,0,0,0,0,1|2,0,0]=3 120 B8R1.2 NNC1=CC=CN=C1 SPC-g939 [0,0,0,0,0,1|3,0,0]=4 121 B8R1.2 NNC1=CC=NC=C1 SPC-g941 [0,0,0,0,0,1|3,0,0]=4 122 B8R1.2 NNC1=NC=CN=C1 SPC-g338 [0,0,0,0,0,1|3,0,0]=4 123 B8R1.2 O=CC1=CN=CC=C1 SPC-g255 [0,0,0,0,0,1|1,0,2]=4 124 B8R1.2 O=CC1=NC=CC=N1 SPC-j098 [0,0,0,0,0,1|1,0,2]=4 125 B8R1.2 O=CC1=NC=CN=C1 SPC-j095 [0,0,0,0,0,1|1,0,2]=4 126 B8R1.2 OCC1=CN=CC=C1 SPC-g084 [0,0,0,0,0,1|1,0,0]=2 127 B8R1.2 OCC1=CN=CN=C1 SPC-g744 [0,0,0,0,0,1|2,0,0]=3 128 B8R1.2 OCC1=CN=NC=C1 SPC-j088 [0,0,0,0,0,1|2,0,0]=3 129 B8R1.2 OCC1=NC=CC=N1 SPC-g700 [0,0,0,0,0,1|1,0,0]=2 130 B8R1.2 OCC1=NC=CN=C1 SPC-g622 [0,0,0,0,0,1|1,0,0]=2 131 B8R1.2 OCC1=NC=NC=C1 SPC-g987 [0,0,0,0,0,1|1,0,0]=2 132 B8R1.2 OCC1=NN=CC=C1 SPC-g951 [0,0,0,0,0,1|1,0,0]=2 133 B5R0.3 C=C(CO)CO SPC-g493 [1,0,1,0,0,0|1,0,1]=4 134 B5R1.1 C1=COC=N1 SPC-m896 [2,0,0,0,0,0|1,0,0]=3 135 B7R1.2 CC1=CC(Cl)=NN1 SPC-j294 [1,1,0,0,0,0|2,0,0]=4 136 B7R1.2 CC1=CC(N)=NN1 SPC-g654 [1,1,0,0,0,0|2,0,0]=4 137 B7R1.2 CC1=CN(C)N=C1 SPC-s115 [1,1,0,0,0,0|2,0,0]=4 138 B7R1.2 CC1=NC(Br)=CS1 SPC-r369 [1,1,0,0,0,0|1,1,0]=4 139 B7R1.2 CC1=NN(C)C=C1 SPC-g247 [1,1,0,0,0,0|2,0,0]=4 140 B7R1.2 CN1C=C(Br)C=N1 SPC-g070 [1,1,0,0,0,0|2,0,0]=4 141 B7R1.2 CN1C=C(I)C=N1 SPC-g007 [1,1,0,0,0,0|2,0,0]=4 142 B7R1.2 CN1C=C(N)C=N1 SPC-g585 [1,1,0,0,0,0|2,0,0]=4 143 B7R1.2 CN1C=C(N)C=N1 SPC-p030 [1,1,0,0,0,0|2,0,0]=4 144 B7R1.2 CN1C=CC(Br)=N1 SPC-g829 [1,1,0,0,0,0|2,0,0]=4 145 B7R1.2 CN1C=CC(Cl)=N1 SPC-v037 [1,1,0,0,0,0|2,0,0]=4 146 B7R1.2 CN1C=CC(I)=N1 SPC-u127 [1,1,0,0,0,0|2,0,0]=4 147 B7R1.2 NC1=CC(O)=NN1 SPC-n036 [1,1,0,0,0,0|2,0,0]=4 148 B7R1.2 NC1=CSC(Cl)=C1 SPC-k871 [1,1,0,0,0,0|1,1,0]=4 149 B7R1.4 CC1=C(C)NN=C1 SPC-s309 [1,1,0,0,0,0|2,0,0]=4 150 B7R1.4 CC1=C(Cl)N=CN1 SPC-q880 [1,1,0,0,0,0|2,0,0]=4 151 B7R1.4 CC1=C(N)SC=N1 SPC-u799 [1,1,0,0,0,0|2,0,0]=4 152 B7R1.4 CC1=CSC=C1N SPC-p592 [1,1,0,0,0,0|2,0,0]=4 153 B7R1.4 CN1N=CC=C1N SPC-s781 [1,1,0,0,0,0|2,0,0]=4 154 B7R1.4 ClC1=C(I)SC=C1 SPC-u292 [1,1,0,0,0,0|1,1,0]=4 155 B9R1.1 BrCC1=CN=C(Br)C=C1 SPC-u373 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.1 CC1=CC=C(CN)N=N1 SPC-j102 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.1 CC1=CN=C(CCl)C=N1 SPC-t784 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.1 CC1=CN=C(CCl)N=C1 SPC-k974 [0,1,0,0,0,1|2,0,0]=4 159 B9R1.1 CC1=CN=C(CO)N=C1 SPC-k972 [0,1,0,0,0,1|1,0,0]=3 160 B9R1.1 CC1=NC=C(CN)C=C1 SPC-j627 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.1 CC1=NC=C(CO)C=N1 SPC-n694 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.1 CCC1=NC=C(Br)C=C1 SPC-n190 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.1 CCC1=NC=C(N)C=N1 SPC-p224 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.1 ClC1=CN=C(CBr)C=C1 SPC-p092 [0,1,0,0,0,1|2,0,0]=4 165 B9R1.1 ClCC1=NC=C(Cl)C=N1 SPC-q562 [0,1,0,0,0,1|2,0,0]=4 166 B9R1.1 FC1=NC=C(CCl)C=C1 SPC-h520 [0,1,0,0,0,1|2,0,0]=4 167 B9R1.1 NC1=NC=C(CO)C=C1 SPC-j263 [0,1,0,0,0,1|1,0,0]=3 168 B9R1.1 NC1=NC=C(CO)C=N1 SPC-r246 [0,1,0,0,0,1|2,0,0]=4 169 B9R1.1 NCC1=CN=C(F)C=C1 SPC-n809 [0,1,0,0,0,1|2,0,0]=4 170 B9R1.1 NCC1=CNC(=O)C=C1 SPC-j609 [0,1,0,0,0,1|2,0,0]=4 171 B9R1.1 NCC1=NC=C(Br)C=C1 SPC-n793 [0,1,0,0,0,1|2,0,0]=4 172 B9R1.1 NCC1=NC=C(Br)C=N1 SPC-k789 [0,1,0,0,0,1|2,0,0]=4 173 B9R1.1 NCC1=NC=C(Br)C=N1 SPC-u086 [0,1,0,0,0,1|2,0,0]=4 174 B9R1.1 NCC1=NC=C(Cl)C=N1 SPC-u268 [0,1,0,0,0,1|2,0,0]=4 175 B9R1.1 NCC1=NC=C(F)C=N1 SPC-n797 [0,1,0,0,0,1|2,0,0]=4 176 B9R1.1 OCC1=CN=C(Cl)C=N1 SPC-j255 [0,1,0,0,0,1|1,0,0]=3 177 B9R1.1 OCC1=CN=C(Cl)N=C1 SPC-j253 [0,1,0,0,0,1|2,0,0]=4 178 B9R1.1 OCC1=NC=C(Br)C=N1 SPC-r245 [0,1,0,0,0,1|1,0,0]=3 179 B9R1.1 OCC1=NC=C(Cl)C=N1 SPC-k980 [0,1,0,0,0,1|1,0,0]=3 180 B9R1.1 OCC1=NC=C(F)C=C1 SPC-h241 [0,1,0,0,0,1|1,0,0]=3 181 B9R1.1 OCC1=NC=C(F)C=N1 SPC-k787 [0,1,0,0,0,1|1,0,0]=3 182 B9R1.1 OCC1=NN=C(Cl)C=C1 SPC-m095 [0,1,0,0,0,1|1,0,0]=3 183 B9R1.2 CC1=CC(CCl)=CN=C1 SPC-s888 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.2 CC1=CC(CO)=CN=C1 SPC-j744 [0,1,0,0,0,1|1,0,0]=3 185 B9R1.2 CC1=CC(CO)=NC=N1 SPC-k988 [0,1,0,0,0,1|1,0,0]=3 186 B9R1.2 CC1=CC(CO)=NN=C1 SPC-n800 [0,1,0,0,0,1|1,0,0]=3 187 B9R1.2 CC1=CC=NC(CN)=N1 SPC-k970 [0,1,0,0,0,1|2,0,0]=4 188 B9R1.2 CC1=CC=NC(CO)=N1 SPC-k971 [0,1,0,0,0,1|1,0,0]=3 189 B9R1.2 CC1=CN=NC(CN)=C1 SPC-j779 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.2 CCC1=CC(Br)=NC=C1 SPC-v193 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.2 CCC1=NC=CC(N)=C1 SPC-p223 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.2 ClCC1=CC(Cl)=CN=C1 SPC-h899 [0,1,0,0,0,1|2,0,0]=4 193 B9R1.2 ClCC1=CC(Cl)=NC=C1 SPC-g732 [0,1,0,0,0,1|2,0,0]=4 194 B9R1.2 FC1=CC(CCl)=CN=C1 SPC-m549 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.2 NC1=NC=CC(CO)=C1 SPC-j636 [0,1,0,0,0,1|1,0,0]=3 196 B9R1.2 NCC1=CC(=O)N=CN1 SPC-p732 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.2 NCC1=CC(=O)NC=C1 SPC-u408 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.2 NCC1=CC(Cl)=NC=C1 SPC-h235 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.2 NCC1=CC(F)=CN=C1 SPC-k106 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.2 NCC1=CC=NC(Cl)=N1 SPC-m381 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.2 NCC1=NC=CC(Br)=C1 SPC-j733 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.2 NCC1=NC=CC(Br)=C1 SPC-t389 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.2 NCC1=NC=CC(Cl)=C1 SPC-n779 [0,1,0,0,0,1|2,0,0]=4 204 B9R1.2 NCC1=NC=CC(Cl)=C1 SPC-v340 [0,1,0,0,0,1|2,0,0]=4 205 B9R1.2 O=C1C=C(CO)C=CN1 SPC-j416 [0,1,0,0,0,1|1,0,0]=3 206 B9R1.2 OCC1=CC(Br)=CN=C1 SPC-g623 [0,1,0,0,0,1|1,0,0]=3 207 B9R1.2 OCC1=CC(Cl)=NC=N1 SPC-k900 [0,1,0,0,0,1|1,0,0]=3 208 B9R1.2 OCC1=CC(F)=CN=C1 SPC-h492 [0,1,0,0,0,1|1,0,0]=3 209 B9R1.2 OCC1=NC=CC(Br)=C1 SPC-h210 [0,1,0,0,0,1|1,0,0]=3 210 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [0,1,0,0,0,1|2,0,0]=4 211 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [0,1,0,0,0,1|1,0,0]=3 212 B9R1.6 O=C(O)C1=NC=CC=N1 SPC-g298 [0,1,0,0,0,1|1,0,1]=4 213 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [0,1,0,0,0,1|1,0,1]=4 214 B9R1.6 O=C(O)C1=NC=NC=C1 SPC-g351 [0,1,0,0,0,1|1,0,1]=4 215 B9R1.6 O=C(O)C1=NN=CC=C1 SPC-g662 [0,1,0,0,0,1|1,0,1]=4 216 B9R1.6 OB(O)C1=CC=NC=C1 SPC-g497 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.6 OB(O)C1=CN=CC=C1 SPC-g050 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.8 CNCC1=NC=CC=N1 SPC-q184 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.8 N#CCC1=NC=CC=N1 SPC-m941 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.8 N#CCC1=NC=NC=C1 SPC-j103 [0,1,0,0,0,1|2,0,0]=4 221 B9R1.8 N#CCC1=NN=CC=C1 SPC-q560 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [0,1,0,0,0,1|2,0,0]=4 225 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.15 CC1=C(CBr)C=CC=N1 SPC-s887 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.15 CC1=C(CCl)C=CN=C1 SPC-p437 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.15 CC1=C(CN)C=NC=C1 SPC-m008 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.15 CC1=C(CN)N=NC=C1 SPC-s731 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.15 CC1=C(CO)C=CN=C1 SPC-n741 [0,1,0,0,0,1|1,0,0]=3 233 B9R1.15 CC1=C(CO)C=NC=C1 SPC-r211 [0,1,0,0,0,1|1,0,0]=3 234 B9R1.15 CC1=NC=CN=C1CCl SPC-r108 [0,1,0,0,0,1|2,0,0]=4 235 B9R1.15 CC1=NC=CN=C1CO SPC-m052 [0,1,0,0,0,1|1,0,0]=3 236 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-i884 [0,1,0,0,0,1|2,0,0]=4 237 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-r184 [0,1,0,0,0,1|2,0,0]=4 238 B9R1.15 CCC1=C(Br)C=NC=C1 SPC-p344 [0,1,0,0,0,1|2,0,0]=4 239 B9R1.15 CCC1=C(F)C=NC=N1 SPC-k117 [0,1,0,0,0,1|2,0,0]=4 240 B9R1.15 ClCC1=CC=CN=C1Cl SPC-h092 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.15 NCC1=C(Cl)C=CC=N1 SPC-u229 [0,1,0,0,0,1|2,0,0]=4 242 B9R1.15 NCC1=C(F)C=CC=N1 SPC-j562 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.15 NCC1=C(F)C=CC=N1 SPC-t905 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.15 O=C1NC=CC=C1CO SPC-n030 [0,1,0,0,0,1|1,0,0]=3 245 B9R1.15 OCC1=C(F)C=CC=N1 SPC-h122 [0,1,0,0,0,1|1,0,0]=3 246 B9R1.15 OCC1=C(F)C=CN=C1 SPC-n782 [0,1,0,0,0,1|1,0,0]=3 247 B9R1.15 OCC1=C(F)C=NC=C1 SPC-j545 [0,1,0,0,0,1|1,0,0]=3 248 B9R1.15 OCC1=CC=CN=C1Cl SPC-g018 [0,1,0,0,0,1|1,0,0]=3 249 B9R1.15 OCC1=NC=CN=C1Cl SPC-m584 [0,1,0,0,0,1|1,0,0]=3 250 B9R1.7 COCC1=CC(N)=NN1 SPC-m125 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.22 CC1=NN(C)C(CO)=C1 SPC-h121 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.23 CC1=CC(CO)=NN1C SPC-k893 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.35 CC1=CSC(C(=O)O)=C1 SPC-n156 [0,2,0,0,0,0|0,1,1]=4 254 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 SPC-n667 [0,2,0,0,0,0|0,1,0]=3 255 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 SPC-k870 [0,2,0,0,0,0|2,0,0]=4 256 B9R1.35 O=C(O)C1=CC=C(Cl)S1 SPC-g094 [0,2,0,0,0,0|0,1,1]=4 257 B9R1.35 O=C(O)C1=CC=C(F)S1 SPC-j710 [0,2,0,0,0,0|0,1,1]=4 258 B9R1.11 COC(=O)C1=CC=CN1 SPC-g232 [0,2,0,0,0,0|1,0,1]=4 259 B9R1.41 O=C(O)C1=C(Br)C=CS1 SPC-g312 [0,2,0,0,0,0|0,1,1]=4 260 B9R1.13 O=C(O)CC1=CC=NN1 SPC-v144 [0,2,0,0,0,0|2,0,0]=4 261 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,0,1,1,0,0|0,0,2]=4 262 B5R1.3 OC[C@H]1CO1 SPC-t630 [0,0,0,0,2,0|0,0,2]=4