0 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 ClC\C=C\C1=CC=CC=C1 MC41818 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 N#CC#CC1=CC=CC=C1 CS16032 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 NCCNC1=NC=CC=C1 CS11746 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 NCCOC1=CC=CN=C1 CS16368 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 NOCCC1=CC=NC=C1 MC427573 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 BrCCC1=CC=CC=C1 MC40571 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 Br[Zn]Cc1ccccc1 MC121333 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 CCNC1=CC=CC=C1 MC40913 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CNCC1=CN=CN=C1 MC103834 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 ClCCC1=CC=CC=C1 MC40609 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 ClCCC1=CC=NC=C1 CS17913 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 FCCC1=CC=CC=C1 MC41557 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 N#CCC1=CC=CN=C1 CS18407 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 N#CCC1=CC=NC=C1 CS20239 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 N#CCC1=NC=CC=C1 CS18926 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 NCCC1=CC=CC=C1 MC40983 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 NCCC1=NC=NC=C1 MC104796 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 NNCC1=CC=CC=C1 CS11006 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 NNCC1=CC=CC=C1 CS12127 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 NNCC1=CC=CN=C1 MC111189 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 NNCC1=CC=CN=C1 MC111240 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 NNCC1=CC=NC=C1 MC111241 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 NNCC1=NC=CC=C1 MC111239 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 NOCC1=CC=CC=C1 CS14063 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 O=C=NC1=CC=CC=C1 MC41051 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.8 OCCC1=CC=CC=C1 MC40745 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.8 OCCC1=CN=CN=C1 CS12401 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 ONCC1=CC=CC=C1 CS11753 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.1 CNCCC1=NC=C(F)C=C1 MC431885 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.1 ClC1=CC=C(OCCBr)C=C1 MC20815 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.1 FC1=CC=C(OCCBr)C=C1 MC41373 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.1 NCCOC1=CC=C(F)C=C1 MC40921 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.1 NCCOC1=CC=C(I)C=C1 MC112558 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.1 O=C=NCC1=CC=C(F)C=C1 MC433986 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.16 CC(N=C=O)C1=CC=CC=C1 MC20438 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.16 CCCC(=O)C1=CC=CN=C1 MC443690 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.16 CCOC(=O)C1=CC=NC=C1 MC41618 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS19194 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.16 CCOC(=O)C1=NC=CC=C1 CS14035 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.16 CN(CCN)C1=CC=CC=C1 CS11704 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.16 CNCC(C)C1=CC=CC=C1 MC446681 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.16 CNCC(O)C1=CC=CC=C1 MC446674 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.16 NC(CCO)C1=CC=CC=C1 CS18735 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.16 NC(CCO)C1=CC=CC=C1 CS21217 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.16 O=C(CCCl)C1=CC=CC=C1 MC41279 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS10897 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS22197 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.16 OC(CCCl)C1=CC=CC=C1 MC20313 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.17 CCCOC1=C(O)C=CC=C1 MC20673 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 MC106741 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.24 CCCOC1=NC=CC(Br)=C1 MC430459 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.24 ClC1=CC=CC(OCCBr)=C1 MC433477 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.24 FC1=CC=CC(CN=C=S)=C1 MC41079 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [0,1,0,0,0,0|0,0,1]=2 84 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.28 Cl[Zn]C\C=C\c1ccccc1 MC116079 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [0,1,0,0,0,0|0,0,1]=2 90 B11R1.28 OCCC#CC1=CC=NC=C1 MC425717 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [0,1,0,0,0,0|0,0,0]=1 94 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,1,0,0,0,0|1,0,2]=4 95 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,1,0,0,0,0|3,0,0]=4 105 B11R2.1 CC1=CCC2=CC=CC=C12 MC106180 [0,0,0,1,0,0|1,0,1]=3 106 B11R2.1 CC1=CNC2=CC=CC=C12 CS11030 [0,0,0,1,0,0|2,0,1]=4 107 B11R2.1 CC1=COC2=C1C=CC=C2 MC30270 [0,0,0,1,0,0|2,0,1]=4 108 B11R2.1 CC1=NNC2=CC=CC=C21 CS17372 [0,0,0,1,0,0|2,0,1]=4 109 B11R2.1 CC1=NOC2=C1C=CC=C2 CS22352 [0,0,0,1,0,0|2,0,1]=4 110 B11R2.1 CN1C=CC2=CC=CC=C21 CS11026 [0,0,0,1,0,0|2,0,1]=4 111 B11R2.1 NC1CCC2=CC=CC=C21 CS16005 [0,0,0,1,0,0|2,0,0]=3 112 B11R2.1 NC1CCC2=CC=CC=C21 CS19275 [0,0,0,1,0,0|2,0,0]=3 113 B11R2.1 NC1CCC2=CC=CC=C21 CS19803 [0,0,0,1,0,0|2,0,0]=3 114 B11R2.1 NC1CCC2=CC=CC=C21 CS20307 [0,0,0,1,0,0|2,0,0]=3 115 B11R2.1 NC1CCC2=CC=CC=C21 MC425841 [0,0,0,1,0,0|2,0,0]=3 116 B11R2.1 O=C1CCC2=CC=CC=C12 CS18668 [0,0,0,1,0,0|2,0,1]=4 117 B11R2.1 O=C1NCC2=CC=CC=C12 CS11515 [0,0,0,1,0,0|2,0,1]=4 118 B11R2.1 O=C1OCC2=CC=CC=C12 CS11853 [0,0,0,1,0,0|1,0,1]=3 119 B11R2.1 O=C1OCC2=NC=CC=C12 CS11423 [0,0,0,1,0,0|2,0,1]=4 120 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,0,0,1,0,0|3,0,0]=4 121 B11R2.4 NC1CC1C2=CC=CC=C2 MC100890 [0,0,0,1,0,0|2,0,0]=3 122 B11R2.4 NC1CC1C2=CC=CC=C2 MC106461 [0,0,0,1,0,0|2,0,0]=3 123 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [0,0,0,1,0,0|2,0,0]=3 124 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS14841 [0,0,0,1,0,0|2,0,0]=3 125 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC104317 [0,0,0,1,0,0|2,0,0]=3 126 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC431486 [0,0,0,1,0,0|2,0,0]=3 127 B11R2.20 C1=CC=C2CC=CCC2=C1 CS11050 [0,0,0,1,0,0|1,0,1]=3 128 B11R2.20 C1=CC=C2CNCCC2=C1 CS19412 [0,0,0,1,0,0|1,0,0]=2 129 B11R2.20 C1=CC=C2COCCC2=C1 CS19933 [0,0,0,1,0,0|0,0,0]=1 130 B11R2.20 C1=CC=C2NCCNC2=C1 CS19000 [0,0,0,1,0,0|3,0,0]=4 131 B11R2.20 C1=CN=C2NCCCC2=C1 CS20465 [0,0,0,1,0,0|3,0,0]=4 132 B11R2.20 C1=NC2=C(CCCC2)N=C1 CS14173 [0,0,0,1,0,0|3,0,0]=4 133 B11R2.20 C1=NC=C2CCCNC2=C1 MC105356 [0,0,0,1,0,0|3,0,0]=4 134 B11R2.20 C1=NC=C2CCNCC2=C1 CS15863 [0,0,0,1,0,0|2,0,0]=3 135 B11R2.20 C1=NC=C2CCNCC2=C1 MC115896 [0,0,0,1,0,0|2,0,0]=3 136 B11R2.20 C1=NC=C2CNCCC2=C1 CS17812 [0,0,0,1,0,0|2,0,0]=3 137 B11R2.20 C1=NC=C2CNCCC2=C1 MC113298 [0,0,0,1,0,0|2,0,0]=3 138 B11R2.20 C1=NC=NC2=C1CCNC2 MC103871 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.20 C1=NC=NC2=C1CNCC2 CS11914 [0,0,0,1,0,0|3,0,0]=4 140 B11R2.20 C1=NC=NC2=C1CNCC2 CS15273 [0,0,0,1,0,0|3,0,0]=4 141 B11R2.238 C1=CC=C(CC2CN2)C=C1 CS19482 [0,0,0,1,0,0|2,0,0]=3 142 B11R2.238 C1=CC=C(SC2CC2)C=C1 MC20576 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.12 CCCCC1C=CC=C1 MC114482 [0,0,0,0,1,0|1,0,1]=3 144 B9R1.12 CCOCC1=CC=CO1 CS17009 [0,0,0,0,1,0|1,0,0]=2 145 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [1,0,1,0,0,0|2,0,0]=4 146 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,0,1,0,0,0|1,0,1]=4 147 B8R1.2 BrCC1=CC=NC=C1 CS22459 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 BrCC1=CC=NC=C1 MC111773 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|0,0,2]=4 150 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|0,0,0]=2 151 B8R1.2 CCC1=CC=CN=C1 CS22277 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.2 CCC1=NC=CN=C1 CS21534 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.2 CNC1=CC=CN=C1 CS13856 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|0,0,0]=2 157 B8R1.2 COC1=CC=CN=C1 CS22348 [2,0,0,0,0,0|1,0,0]=3 158 B8R1.2 COC1=CC=CN=N1 CS22347 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|1,0,0]=3 160 B8R1.2 COC1=CN=CN=C1 MC428182 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 COC1=CN=NC=C1 MC427243 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|1,0,0]=3 163 B8R1.2 COC1=NC=CN=C1 CS17887 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|0,1,0]=3 165 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|1,1,0]=4 166 B8R1.2 ClCC1=CC=CN=C1 CS19291 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 ClCC1=NC=CC=C1 CS19289 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,0]=3 169 B8R1.2 ICC1=CC=CN=C1 MC430640 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 172 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 173 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.2 NCC1=CC=CN=C1 CS14226 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 NCC1=CC=NC=C1 CS11906 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.2 NCC1=CC=NC=C1 CS19023 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,1]=4 180 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,0]=2 181 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.2 OCC1=CC=CN=N1 CS21870 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.2 OCC1=CN=CN=C1 MC444370 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 OCC1=CN=NC=C1 MC444363 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|1,0,0]=3 187 B8R1.2 OCC1=NC=CC=N1 CS19924 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 OCC1=NC=CN=C1 CS21749 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 OCC1=NC=NC=C1 CS11915 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.1 Br[Zn]Cc1ccc(Br)cc1 MC121353 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|0,0,2]=4 192 B10R1.1 CC1=CC=C(CC#N)C=C1 CS21709 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [1,1,0,0,0,0|0,0,0]=2 198 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [1,1,0,0,0,0|0,0,0]=2 199 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [1,1,0,0,0,0|0,0,0]=2 200 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|0,0,0]=2 201 B10R1.1 CCOC1=CC=C(N)N=N1 CS10700 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.1 CCOC1=CN=C(Br)N=C1 MC444172 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.1 CCOC1=CN=C(N)C=C1 CS15063 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.1 CCOC1=NC=C(Br)C=C1 CS22026 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.1 CCOC1=NC=C(N)C=C1 CS14713 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.1 CSCC1=NC=C(Br)C=C1 MC112104 [1,1,0,0,0,0|1,1,0]=4 209 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.1 Fc1ccc(C[Zn]Cl)cc1 MC121346 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.1 N#CCC1=CC=C(Br)C=C1 CS20687 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.1 N#CCC1=CC=C(Cl)C=C1 MC20790 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.1 N#CCC1=CC=C(F)C=C1 CS14479 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.1 N#CCC1=CC=C(I)C=C1 MC40782 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.1 NCCC1=CNC(=O)C=C1 MC33499 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.1 OCCC1=NC=C(Br)C=C1 MC102395 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.4 Br[Zn]Cc1ccccc1Br MC121351 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.4 CC1=C(CC#N)C=CC=C1 CS11825 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.4 CC1=CC=CN=C1CCN MC33439 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [1,1,0,0,0,0|0,0,0]=2 237 B10R1.4 CCOC1=C(Br)C=NC=C1 MC443330 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [1,1,0,0,0,0|0,0,0]=2 239 B10R1.4 CCOC1=C(N)C=CN=C1 MC442472 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.4 CCOC1=CC=CN=C1C MC443397 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.4 CCOC1=CC=CN=C1O MC110935 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.4 CCOC1=CN=CN=C1N CS17842 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.4 CCOC1=NC=CN=C1N CS21230 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.4 CNCC1=C(F)C=CC=C1 MC40828 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.4 COCC1=C(Br)C=CC=C1 MC41399 [1,1,0,0,0,0|0,0,0]=2 247 B10R1.4 Fc1ccccc1C[Zn]Cl MC121344 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.4 N#CCC1=C(Br)C=CC=C1 CS10707 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.4 N#CCC1=C(Cl)C=CC=C1 CS21495 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.4 N#CCC1=C(F)C=CC=C1 CS20772 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.4 N#CCC1=C(I)C=CC=C1 MC40781 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.4 N#CCC1=C(N)C=CC=C1 CS20914 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.4 NCCC1=C(Br)C=CC=C1 CS15138 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.4 NCCC1=C(F)C=CC=C1 CS14793 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.4 NCCC1=C(N)C=CC=C1 CS15970 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.4 NCCN1C=CC=CC1=O MC431465 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.4 NNCC1=C(F)C=CC=C1 CS20134 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.4 NNCc1ccccc1F MC443842 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.4 O=CCC1=C(F)C=CC=C1 MC431003 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.4 OCCC1=C(Br)C=CC=C1 CS21407 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.4 OCCC1=C(Cl)C=CC=C1 MC40737 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.4 OCCC1=C(F)C=CC=C1 MC33149 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.10 Br[Zn]Cc1cccc(Br)c1 MC121352 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [1,1,0,0,0,0|0,0,2]=4 267 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.10 CCCc1cccc(F)c1 MC440476 [1,1,0,0,0,0|0,0,0]=2 270 B10R1.10 CCNC1=NC=CC(N)=C1 CS14774 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.10 CCOC1=CC(Br)=NC=C1 MC430483 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.10 CCOC1=CC(N)=NC=C1 MC20309 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.10 CCOC1=CC(N)=NC=N1 MC443763 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.10 CCOC1=CN=CC(Br)=C1 MC107004 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.10 CCOC1=CN=CC(Cl)=C1 MC443271 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.10 CCOC1=NC=CC(Cl)=C1 MC113277 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.10 CNCC1=CC(F)=CN=C1 MC105914 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.10 CNCC1=NC=CC(Cl)=C1 MC102697 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.10 COCC1=CC(Cl)=NC=C1 MC425095 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.10 Fc1cccc(C[Zn]Cl)c1 MC121345 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.10 N#CCC1=CC(Br)=CC=C1 CS18969 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS13745 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.10 N#CCC1=CC(F)=CC=C1 MC20212 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.10 N#CCC1=CC(N)=CC=C1 MC433930 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [1,1,0,0,0,0|0,0,2]=4 297 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.15 CC(CN)c1ccccc1 MC110750 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.15 CCC(N)C1=CC=CC=C1 MC20337 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.15 CCC(N)C1=NC=CN=C1 MC104764 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,1,0,0,0,0|0,0,1]=3 307 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.15 FC(CBr)C1=CC=CC=C1 MC102769 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.15 N#CC(N)C1=CC=CC=C1 MC31161 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.15 NC(CO)C1=NC=CC=C1 MC111155 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.15 NCC(O)C1=CC=CN=C1 MC103058 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.15 NCC(O)C1=NC=CC=C1 MC33503 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.15 OC(CCl)C1=CC=CN=C1 MC103059 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,1,0,0,0,0|0,0,0]=2 332 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,1,0,0,0,0|0,0,0]=2 334 B10R1.18 FC(F)OC1=CC=CC=C1 MC41385 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.18 FC(F)OC1=NC=CC=C1 MC116213 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.18 FC(F)SC1=CC=CC=C1 MC428027 [1,1,0,0,0,0|1,1,0]=4 337 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.11 CCOC(=O)C1=CC=CN1 CS10538 [0,1,0,0,1,0|1,0,1]=4 341 B10R1.11 CCOC(=O)C1=CC=CO1 MC10319 [0,1,0,0,1,0|1,0,1]=4 342 B10R1.11 CCOC(=O)C1=CC=CS1 CS14077 [0,1,0,0,1,0|1,0,1]=4 343 B10R1.11 CCOC(=O)C1=CNC=C1 MC115913 [0,1,0,0,1,0|1,0,1]=4 344 B10R1.11 CCOC(=O)C1=CSC=C1 CS10526 [0,1,0,0,1,0|1,0,1]=4 345 B10R1.66 CC(C)NCC1=CSC=C1 MC112514 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.1 COCCOC1=CC=C(N)C=C1 CS13382 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.1 OC1=CC=C(OCCCBr)C=C1 MC103168 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [0,2,0,0,0,0|0,0,1]=3 349 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [0,2,0,0,0,0|0,0,1]=3 350 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [0,2,0,0,0,0|0,0,1]=3 351 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [0,2,0,0,0,0|0,0,1]=3 352 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,2,0,0,0,0|0,0,1]=3 353 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 CS12492 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS20898 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 CS18817 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 CS19325 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS14696 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 MC430639 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 CS11969 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 CS14753 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 CS19558 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 MC106616 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 MC106746 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 MC106116 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.49 NC(CO)CC1=CC=C(I)C=C1 MC115448 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 MC443141 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.71 C#CC1=CC=C(CCCC)C=C1 CS11680 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.71 CCC#CC1=CC=C(OC)C=C1 MC103263 [0,2,0,0,0,0|1,0,1]=4 375 B12R1.71 N#CC1=CC=C(CCCO)C=C1 CS14888 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.385 CCCCC1=CC=C(N)C(N)=C1 MC445204 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.17 CCOC(=O)C1=CC(Br)=CC=C1 MC40031 [0,2,0,0,0,0|0,0,1]=3 378 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 MC20736 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 CS14959 [0,2,0,0,0,0|1,0,1]=4 380 B12R1.17 CCOC(=O)C1=CC(I)=CC=C1 CS11354 [0,2,0,0,0,0|0,0,1]=3 381 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 MC40025 [0,2,0,0,0,0|0,0,1]=3 382 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS17963 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS11352 [0,2,0,0,0,0|0,0,1]=3 384 B12R1.17 CCOC(=O)C1=CN=CC(Br)=C1 CS22041 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.17 CCOC(=O)C1=CN=CC(F)=C1 MC430707 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 CS13935 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS15548 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 CS10611 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 CS19263 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,2,0,0,0,0|0,0,1]=3 391 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [0,2,0,0,0,0|0,0,1]=3 392 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS13901 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS21181 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS18861 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS21098 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 MC20366 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.308 CCCC(=O)C1=C(N)C=CC=C1 MC430441 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [0,2,0,0,0,0|0,0,1]=3 399 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 MC20829 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.308 CCOC(=O)C1=C(Br)N=CC=C1 CS21405 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [0,2,0,0,0,0|0,0,1]=3 402 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS20897 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [0,2,0,0,0,0|0,0,1]=3 404 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CS13612 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 MC100279 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,2,0,0,0,0|0,0,1]=3 407 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl CS18275 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.308 CCOC(=O)C1=NC=CC=C1F MC432518 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.308 CCOC(=O)C1=NC=CC=C1N CS22110 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.267 BrCCCOC1=C(Br)C=CC=C1 MC425134 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.267 NCCCOC1=C(F)C=CC=C1 MC431473 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 CS11591 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 CS21677 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS11582 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS20138 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.28 CCCCOC1=CC=CC(O)=C1 MC445596 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 MC425612 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 CS21194 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.50 CCC(C)OC1=CC=CC(O)=C1 MC112599 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 CS20169 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.50 COC(=O)CC1=CC(F)=CC=C1 MC433952 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS15979 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 MC40063 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 CS22324 [0,2,0,0,0,0|2,0,0]=4 425 B12R1.50 NC(CO)CC1=CC(F)=CC=C1 MC431472 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.100 CCCCC1=CC(F)=CC(F)=C1 MC440247 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.226 CC(C)COC1=CC=CC(O)=C1 MC112276 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.382 CCNCC1=CC=CC(C#N)=C1 MC112218 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.8 C#CCCNCC1=CC=CC=C1 MC431217 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.8 CCCCCCC1=CC=NC=C1 CS17088 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.8 N#CCSCCC1=CC=CC=C1 MC107687 [0,2,0,0,0,0|0,1,1]=4 434 B12R1.8 NCCCNCC1=CC=CC=C1 CS11742 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,2,0,0,0,0|0,0,0]=2 438 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [0,2,0,0,0,0|0,0,1]=3 440 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [0,2,0,0,0,0|0,0,1]=3 441 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [0,2,0,0,0,0|0,0,1]=3 442 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [0,2,0,0,0,0|0,0,1]=3 445 B12R1.32 CCNC(=S)NC1=CC=CC=C1 MC427354 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.32 CCOC(=O)CC1=NC=CC=N1 CS12227 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS11755 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,2,0,0,0,0|0,0,1]=3 450 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,2,0,0,0,0|0,0,0]=2 452 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,2,0,0,0,0|0,0,1]=3 454 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,2,0,0,0,0|0,0,1]=3 456 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34003 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34004 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 MC443724 [0,2,0,0,0,0|1,0,1]=4 459 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|0,0,0]=2 460 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|0,0,0]=2 461 B10R2.7 C1=CC2=C(C=C1)CSC2 MC114506 [1,0,0,1,0,0|0,1,0]=3 462 B10R2.7 C1=CC2=C(C=C1)OC=N2 CS10994 [1,0,0,1,0,0|1,0,1]=4 463 B10R2.7 C1=CC2=C(C=C1)OCC2 CS20929 [1,0,0,1,0,0|0,0,0]=2 464 B10R2.7 C1=CC2=C(C=C1)OCO2 CS20505 [1,0,0,1,0,0|1,0,0]=3 465 B10R2.7 C1=CC2=C(C=N1)CNC2 MC425268 [1,0,0,1,0,0|2,0,0]=4 466 B10R2.7 C1=CC2=C(C=N1)CNC2 MC428164 [1,0,0,1,0,0|2,0,0]=4 467 B10R2.7 C1=CC2=NON=C2C=C1 CS10977 [1,0,0,1,0,0|2,0,0]=4 468 B10R2.7 C1=CC=C2CC=CC2=C1 MC20914 [1,0,0,1,0,0|0,0,2]=4 469 B10R2.7 C1=CC=C2CNCC2=C1 CS11516 [1,0,0,1,0,0|1,0,0]=3 470 B10R2.7 C1=CC=C2CNCC2=C1 MC442466 [1,0,0,1,0,0|1,0,0]=3 471 B10R2.7 C1=CC=C2NCCC2=C1 CS19084 [1,0,0,1,0,0|1,0,0]=3 472 B10R2.7 C1=CC=C2OC=CC2=C1 CS11169 [1,0,0,1,0,0|0,0,2]=4 473 B10R2.7 C1=CN=C2CCCC2=C1 CS14838 [1,0,0,1,0,0|1,0,0]=3 474 B10R2.7 C1=CN=C2CCNC2=C1 MC107728 [1,0,0,1,0,0|2,0,0]=4 475 B10R2.7 C1=CN=C2CNCC2=C1 CS15341 [1,0,0,1,0,0|2,0,0]=4 476 B10R2.7 C1=CN=C2NCCC2=C1 CS21039 [1,0,0,1,0,0|2,0,0]=4 477 B10R2.7 C1=CN=C2OCOC2=C1 MC111188 [1,0,0,1,0,0|2,0,0]=4 478 B10R2.7 c1cc2c(cn1)CNC2 MC113094 [1,0,0,1,0,0|2,0,0]=4 479 B12R2.24 BrC1=CC2=C(CNCC2)N=C1 MC104843 [0,1,0,1,0,0|2,0,0]=4 480 B12R2.24 BrC1=CC=C2CCCCC2=C1 CS16753 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.24 BrC1=CC=C2CCCNC2=C1 CS18621 [0,1,0,1,0,0|2,0,0]=4 482 B12R2.24 BrC1=CC=C2CCCOC2=C1 MC443258 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.24 BrC1=CC=C2CCNCC2=C1 CS19606 [0,1,0,1,0,0|1,0,0]=3 484 B12R2.24 BrC1=CC=C2CCOCC2=C1 CS16547 [0,1,0,1,0,0|0,0,0]=2 485 B12R2.24 BrC1=CC=C2CNCCC2=C1 CS10618 [0,1,0,1,0,0|1,0,0]=3 486 B12R2.24 BrC1=CC=C2CNCCC2=C1 CS17620 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.24 BrC1=CC=C2COCCC2=C1 MC441107 [0,1,0,1,0,0|0,0,0]=2 488 B12R2.24 BrC1=CC=C2NCCCC2=C1 CS19737 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.24 BrC1=CC=C2OCCCC2=C1 CS19916 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 MC100126 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.24 CC1=CC=C2CCCCC2=C1 CS10746 [0,1,0,1,0,0|1,0,0]=3 492 B12R2.24 CC1=CC=C2CCNCC2=C1 CS18155 [0,1,0,1,0,0|1,0,0]=3 493 B12R2.24 CC1=CC=C2CNCCC2=C1 MC431469 [0,1,0,1,0,0|1,0,0]=3 494 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,1,0,1,0,0|1,0,0]=3 496 B12R2.24 ClC1=CC=C2CCCNC2=C1 MC443569 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.24 ClC1=CC=C2NCCCC2=C1 CS14585 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 CS16899 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 CS12512 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.24 FC1=CC=C2CNCCC2=C1 MC106618 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.24 FC1=CC=C2NCCCC2=C1 MC441111 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.24 IC1=CC=C2OCCCC2=C1 MC425133 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.24 NC1=CC=C2CCNCC2=C1 MC443158 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,1,0,1,0,0|1,0,0]=3 505 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,1,0,1,0,0|1,0,0]=3 506 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,1,0,1,0,0|1,0,0]=3 507 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [0,1,0,1,0,0|1,0,0]=3 509 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.24 OC1=CC2=C(C=C1)CCCC2 CS13514 [0,1,0,1,0,0|1,0,0]=3 513 B12R2.24 OC1=CC2=C(CCNC2)N=C1 MC100128 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.24 OC1=CC=C2CCCNC2=C1 CS10898 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.24 OC1=CC=C2CCNCC2=C1 CS17696 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.24 OC1=CC=C2CNCCC2=C1 CS18391 [0,1,0,1,0,0|1,0,0]=3 517 B12R2.24 OC1=CC=C2NCCCC2=C1 CS18990 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 MC111254 [0,1,0,1,0,0|2,0,0]=4 519 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 MC442810 [0,1,0,1,0,0|1,0,1]=4 520 B12R2.132 NC1=CC2=C(C=C1)COB2O MC443364 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC104166 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.132 NC1CCC2=CC=C(Br)C=C21 MC105332 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.132 NC1CCC2=CC=C(F)C=C21 MC431345 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC104168 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC105334 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 CS12535 [0,1,0,1,0,0|1,0,1]=4 527 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 MC430493 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 MC102461 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.2 C1=CC(C2CCCN2)=CC=N1 MC425217 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.2 C1=CC(N2CCCC2)=CC=N1 CS14007 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [0,1,0,1,0,0|1,0,0]=3 532 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [0,1,0,1,0,0|1,0,0]=3 533 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [0,1,0,1,0,0|1,0,0]=3 534 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.2 C1=CN=CC(C2CCCN2)=C1 CS21193 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.2 C1=CN=CC(C2CCNC2)=C1 MC106144 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [0,1,0,1,0,0|1,0,0]=3 538 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [0,1,0,1,0,0|1,0,0]=3 540 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [0,1,0,1,0,0|1,0,1]=4 541 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS20790 [0,1,0,1,0,0|1,0,0]=3 542 B12R2.116 NC1(C2=CC=CC=C2)COC1 MC115717 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.1081 BrC1=C2CCCNC2=CC=C1 CS18620 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.1081 BrC1=C2CCCNC2=CC=C1 MC441076 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.1081 BrC1=C2CCNCC2=CC=C1 CS19342 [0,1,0,1,0,0|1,0,0]=3 546 B12R2.1081 BrC1=C2CNCCC2=CC=C1 CS12481 [0,1,0,1,0,0|1,0,0]=3 547 B12R2.1081 BrC1=C2CNCCC2=CC=C1 CS15449 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.1081 CC1CCNC2=CC=CC=C21 CS17518 [0,1,0,1,0,0|1,0,0]=3 549 B12R2.1081 CC1CNCC2=CC=CC=C21 CS17240 [0,1,0,1,0,0|1,0,0]=3 550 B12R2.1081 CC1NCCC2=CC=CC=C21 CS12178 [0,1,0,1,0,0|1,0,0]=3 551 B12R2.1081 CC1NCCC2=CC=CC=C21 CS15270 [0,1,0,1,0,0|1,0,0]=3 552 B12R2.1081 CN1CCNC2=CC=CC=C21 CS19012 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.1081 ClC1=C2CCCNC2=CC=C1 CS19411 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.1081 ClC1=C2CNCCC2=CC=C1 CS17691 [0,1,0,1,0,0|1,0,0]=3 555 B12R2.1081 ClC1=C2NCCCC2=CC=C1 MC441108 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.1081 ClC1=CC=NC2=C1CCCC2 CS16900 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.1081 FC1=C2CCCNC2=CC=C1 MC100194 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.1081 FC1=C2CCCNC2=CC=C1 MC430214 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.1081 FC1=C2CCNCC2=CC=C1 CS19337 [0,1,0,1,0,0|1,0,0]=3 560 B12R2.1081 FC1=C2CCNCC2=CC=C1 MC431444 [0,1,0,1,0,0|1,0,0]=3 561 B12R2.1081 NC1CCCC2=C1C=CC=N2 MC103512 [0,1,0,1,0,0|2,0,0]=4 562 B12R2.1081 NC1CCCC2=C1N=CC=C2 CS18224 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [0,1,0,1,0,0|1,0,0]=3 564 B12R2.1081 NC1CCOC2=CC=CC=C21 CS18355 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.1081 NC1COCC2=CC=CC=C21 MC100130 [0,1,0,1,0,0|0,0,0]=2 566 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [0,1,0,1,0,0|1,0,1]=4 567 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [0,1,0,1,0,0|0,0,1]=3 568 B12R2.1081 O=C1NC=CC2=C1CCNC2 MC100148 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [0,1,0,1,0,0|1,0,1]=4 570 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [0,1,0,1,0,0|0,0,1]=3 571 B12R2.1081 OC1=C2CNCCC2=CC=C1 MC105733 [0,1,0,1,0,0|1,0,0]=3 572 B12R2.1081 OC1=C2NCCCC2=CC=C1 CS19254 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.1081 OC1=CC=CC2=C1CCNC2 MC425651 [0,1,0,1,0,0|1,0,0]=3 574 B12R2.1081 OC1CCCC2=C1N=CC=C2 CS18737 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.1081 OC1CNCC2=CC=CC=C21 MC111757 [0,1,0,1,0,0|1,0,0]=3 576 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.32 OCC1CC2=C(C=CC=C2)O1 CS21037 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.32 OCC1CC2=CC=CC=C2N1 MC105284 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.196 NC1=C2COC(=O)C2=CC=C1 CS14004 [0,1,0,1,0,0|1,0,1]=4 580 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14533 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.196 NC1CCC2=C(Br)C=CC=C21 CS14534 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.196 NC1CCC2=C(F)C=CC=C21 CS18746 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 CS22636 [0,1,0,1,0,0|1,0,1]=4 584 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 CS16081 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.612 NC1CCC2=CC(F)=CC=C21 MC431475 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS10666 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [0,1,0,1,0,0|1,0,1]=4 588 B12R2.2313 BrC1=CC(C2CCC2)=NC=C1 MC110669 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.2313 BrC1=CC=CC(C2COC2)=C1 MC115757 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [0,1,0,1,0,0|1,0,0]=3 591 B12R2.1 N#CC1CCC2=CC=CC=C21 CS13197 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [0,1,0,1,0,0|1,0,0]=3 593 B12R2.18 NC1C2=CC=CC=C2CC1O CS13576 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.18 NC1C2=CC=CC=C2CC1O MC20312 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.18 NC1CC2=CC=CC=C2C1O MC446701 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.94 ClC1(SC2=CC=CC=C2)CC1 MC121263 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.2403 CC1(C)NCC2=CC=CC=C21 MC101956 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.8 CCCC1=NC=CN1 CS14621 [1,0,0,0,1,0|2,0,0]=4 599 B8R1.8 COCC1=NC=CN1 MC104489 [1,0,0,0,1,0|2,0,0]=4 600 B8R1.8 COCN1C=CN=C1 CS12819 [1,0,0,0,1,0|2,0,0]=4 601 B8R1.8 NCCC1=CSC=C1 CS22098 [1,0,0,0,1,0|2,0,0]=4 602 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,1,0|2,0,0]=4 603 B8R1.8 OCCC1=CSC=C1 CS20858 [1,0,0,0,1,0|2,0,0]=4