0 B11R1.17 C=CCOC1=CC=CC=C1O SY115738 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.17 CC1=C(OCC#N)C=CC=C1 SY010990 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.17 CC1=C(OCCN)C=CC=C1 SY008284 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.17 CC1=CC=CC=C1NCCO SY012279 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.17 CCCOC1=C(N)C=CC=C1 SY023299 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.17 CCCOC1=CC=CC=C1N SY027786 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.17 CCNCC1=CC=CC=C1O SY018670 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.17 CNCCC1=CC=CC=C1F SY002937 [0,0,0,0,0,0|0,1,0]=1 8 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 SY005438 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.17 N#CCOC1=C(F)C=CC=C1 SY010999 [0,0,0,0,0,0|3,1,0]=4 10 B11R1.17 NCCCC1=CC=CC=C1Br SY030070 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.17 NCCOC1=C(Cl)C=CC=C1 SY008278 [0,0,0,0,0,0|3,1,0]=4 12 B11R1.17 NCCOC1=C(F)C=CC=C1 SY008272 [0,0,0,0,0,0|3,1,0]=4 13 B11R1.17 OCCCC1=CC=CC=C1Br SY021684 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.4 CC1=CC=CC=C1CCO SY036944 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.4 CC1=CC=CC=C1OCCl SY298330 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 CCNC1=NC=CC=C1N SY184449 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.4 CCOC1=C(Br)C=CC=C1 SY018463 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.4 CCOC1=C(C)C=CN=C1 SY129406 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 CCOC1=CC=CN=C1F SY035897 [1,0,0,0,0,0|2,1,0]=4 20 B10R1.4 CCOC1=CC=CNC1=O SY023905 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.4 CCOC1=NC=CC=C1Br SY053418 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.4 CCSC1=CC=CN=C1Br SY285813 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.4 CCSC1=CC=CN=C1F SY285811 [1,0,0,0,0,0|2,1,0]=4 24 B10R1.4 CNCC1=C(Br)C=CC=C1 SY005450 [1,0,0,0,0,0|0,0,0]=1 25 B10R1.4 CNCC1=CC=CC=C1C SY021461 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.4 CNCC1=CC=CC=C1Cl SY023323 [1,0,0,0,0,0|0,1,0]=2 27 B10R1.4 CNCC1=CC=CC=C1F SY005451 [1,0,0,0,0,0|0,1,0]=2 28 B10R1.4 CNCC1=CC=CN=C1C SY031590 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.4 COCC1=CC=CC=C1O SY026429 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [1,0,0,0,0,0|1,1,0]=3 31 B10R1.4 ClCOC1=C(I)C=CC=C1 SY298441 [1,0,0,0,0,0|2,1,0]=4 32 B10R1.4 ClCOC1=CC=CC=C1Br SY298326 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.4 ClCOC1=CC=CC=C1Cl SY298558 [1,0,0,0,0,0|2,1,0]=4 34 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [1,0,0,0,0,0|1,1,0]=3 35 B10R1.4 N#CCC1=C(N)C=CC=C1 SY011031 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.4 N#CCC1=CC=CC=C1I SY101179 [1,0,0,0,0,0|0,1,2]=4 37 B10R1.4 N#CCC1=CC=CC=C1O SY012295 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.4 NCCC1=CC=CC=C1N SY104426 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.4 NCCC1=CC=CC=C1O SY040467 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [1,0,0,0,0,0|1,1,0]=3 42 B10R1.4 NNCC1=CC=CC=C1F SY033589 [1,0,0,0,0,0|1,1,0]=3 43 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281604 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281605 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.4 NOCC1=C(F)C=NC=C1 SY281606 [1,0,0,0,0,0|2,1,0]=4 46 B10R1.4 NOCC1=C(F)C=NC=C1 SY281607 [1,0,0,0,0,0|2,1,0]=4 47 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [1,0,0,0,0,0|1,1,0]=3 50 B10R1.4 NOCC1=CC=CC=C1F SY047853 [1,0,0,0,0,0|1,1,0]=3 51 B10R1.4 NOCC1=CC=CC=C1F SY281571 [1,0,0,0,0,0|1,1,0]=3 52 B10R1.4 NOCC1=CC=CC=C1I SY281752 [1,0,0,0,0,0|1,1,0]=3 53 B10R1.4 NOCC1=NC=CC=C1F SY281659 [1,0,0,0,0,0|2,1,0]=4 54 B10R1.4 NOCC1=NC=CC=C1F SY281660 [1,0,0,0,0,0|2,1,0]=4 55 B10R1.4 O=C=NC1=CC=CC=C1Br SY021825 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [1,0,0,0,0,0|1,1,0]=3 58 B10R1.4 OCCC1=CC=CC=C1F SY021828 [1,0,0,0,0,0|1,1,0]=3 59 B10R1.4 OCCC1=CC=CC=C1I SY096684 [1,0,0,0,0,0|1,1,0]=3 60 B10R1.4 OCCC1=CC=CC=C1O SY066615 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.17 CCC#CC1=CC=CC=C1 SY049474 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [1,0,0,0,0,0|0,0,0]=1 73 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [1,0,0,0,0,0|3,0,0]=4 92 B12R1.25 CCNCC1=CC=CC(F)=C1F SY014376 [0,1,0,0,0,0|2,1,0]=4 93 B12R1.69 CCNCC1=CC=C(Cl)C=C1Cl SY002524 [0,1,0,0,0,0|2,1,0]=4 94 B12R1.121 C=CCOC1=CC=CC=C1CBr SY026003 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.125 CC1=CC=CC=C1CCC(=O)O SY017785 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SY017169 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SY003324 [0,1,0,0,0,0|2,1,0]=4 98 B12R1.125 O=C(O)CCC1=CC=CC=C1F SY016160 [0,1,0,0,0,0|2,1,0]=4 99 B12R1.125 O=C(O)CCC1=CC=CC=C1I SY238889 [0,1,0,0,0,0|2,1,0]=4 100 B12R1.125 O=C(O)CCC1=CC=CC=C1O SY101015 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.125 O=C(O)CCC1=NC=CC=C1Br SY244454 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.125 O=[N+]([O-])CCC1=CC=CC=C1Cl SY266525 [0,1,0,0,0,0|1,1,1]=4 103 B12R1.267 CC1=CC=CC=C1OCCC#N SY024182 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.267 CC1=CC=CC=C1OCCCN SY008306 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.267 CCNCCC1=CC=CC=C1F SY002938 [0,1,0,0,0,0|0,1,0]=2 106 B12R1.267 FC1=CC=CC=C1OCCCBr SY103929 [0,1,0,0,0,0|2,1,0]=4 107 B12R1.267 NCCCOC1=CC=CC=C1Cl SY008300 [0,1,0,0,0,0|2,1,0]=4 108 B12R1.267 NCCCOC1=CC=CC=C1F SY008294 [0,1,0,0,0,0|2,1,0]=4 109 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SY004041 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.308 N#CCC(=O)C1=CC=CC=C1Br SY017192 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 SY032006 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.371 COC(=O)CC1=CC=CC=C1Br SY023296 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.371 COC(=O)CC1=CC=CC=C1C SY106492 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SY021282 [0,1,0,0,0,0|1,1,1]=4 115 B12R1.371 COC(=O)CC1=CC=CC=C1F SY258978 [0,1,0,0,0,0|1,1,1]=4 116 B12R1.371 COC(=O)CC1=CC=CC=C1I SY311934 [0,1,0,0,0,0|1,1,1]=4 117 B12R1.374 BrCCOC1=CC(Br)=CC=C1Br SY059668 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.374 CCNCC1=CC(Br)=CC=C1O SY018707 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.374 CCNCC1=CC(Cl)=CC=C1O SY018709 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.374 CCNCC1=CC(F)=CC=C1O SY018705 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.374 COCOC1=CC(Br)=CC=C1F SY284152 [0,1,0,0,0,0|2,1,0]=4 122 B12R1.374 OCCOC1=CC(Br)=CC=C1Br SY059675 [0,1,0,0,0,0|3,0,0]=4 123 B10R0.71 CCCCC\C=C\C=C\C=O SY017792 [0,0,1,0,0,0|2,0,1]=4 124 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 SY038508 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.41 C1=CC=C2CNCCCC2=C1 SY047638 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.41 C1=CC=C2NCCCCC2=C1 SY012221 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.41 C1=CC=C2OCCCOC2=C1 SY003809 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.41 C1=CC=C2OCCNCC2=C1 SY104284 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.196 CC1=CC=CC2=C1CCC2=O SY023823 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.196 CC1=NOC2=C1C=CC=C2Br SY263395 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.196 CN1C=CC2=C(Br)C=CN=C21 SY098776 [0,0,0,1,0,0|1,0,2]=4 138 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 SY113269 [0,0,0,1,0,0|1,0,1]=3 139 B12R2.196 CN1CCC2=C1C=CC=C2N SY142604 [0,0,0,1,0,0|1,0,0]=2 140 B12R2.196 CN1N=CC2=C1C=CC=C2Br SY024576 [0,0,0,1,0,0|1,0,1]=3 141 B12R2.196 CN1N=CC2=C1C=CC=C2N SY065470 [0,0,0,1,0,0|2,0,1]=4 142 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 SY017585 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.196 O=C1CCC2=C1C=CC=C2Cl SY041548 [0,0,0,1,0,0|2,1,0]=4 144 B12R2.196 O=C1CCC2=C1C=CC=C2F SY101474 [0,0,0,1,0,0|2,1,0]=4 145 B12R2.196 O=C1CCC2=C1C=CC=C2O SY020876 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.196 O=C1CCC2=C1C=NC=C2Br SY249965 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SY097073 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.196 O=C1NCC2=C1C=CC=C2Br SY017599 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 SY110693 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.225 BrC1=CC=CC=C1CC2CC2 SY278417 [0,0,0,1,0,0|1,0,0]=2 151 B12R2.225 NC1=CC=CC=C1OC2CC2 SY277587 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.517 CC1=C(C2CNC2)C=NC=C1 SY267567 [0,0,0,1,0,0|2,0,0]=3 153 B12R2.517 CC1=C(C2CNC2)C=NC=C1 SY267568 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267184 [0,0,0,1,0,0|1,0,0]=2 155 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267185 [0,0,0,1,0,0|1,0,0]=2 156 B12R2.517 CC1=CC=CN=C1C2CNC2 SY267603 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.517 CC1=CC=CN=C1C2CNC2 SY267604 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.517 CC1=NC=CC=C1C2CNC2 SY267558 [0,0,0,1,0,0|2,0,0]=3 159 B12R2.517 CC1=NC=CC=C1C2CNC2 SY267559 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267201 [0,0,0,1,0,0|0,1,0]=2 161 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267202 [0,0,0,1,0,0|0,1,0]=2 162 B12R2.1081 BrC1=C2OCCNC2=CC=C1 SY027328 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.1081 BrC1=C2SCCNC2=CC=C1 SY312022 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.1081 BrC1=CC=CC2=C1CCCN2 SY097814 [0,0,0,1,0,0|2,0,0]=3 165 B12R2.1081 BrC1=CC=CC2=C1CCCO2 SY121094 [0,0,0,1,0,0|2,0,0]=3 166 B12R2.1081 BrC1=CC=CC2=C1CCNC2 SY021156 [0,0,0,1,0,0|0,0,0]=1 167 B12R2.1081 BrC1=CC=CC2=C1CCNC2 SY041598 [0,0,0,1,0,0|0,0,0]=1 168 B12R2.1081 BrC1=CC=CC2=C1CNCC2 SY021179 [0,0,0,1,0,0|2,0,0]=3 169 B12R2.1081 BrC1=CC=CC2=C1CNCC2 SY041614 [0,0,0,1,0,0|2,0,0]=3 170 B12R2.1081 CC1=CC=CC2=C1NCCC2 SY081306 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.1081 ClC1=C2CCNCC2=NC=N1 SY037516 [0,0,0,1,0,0|2,1,0]=4 172 B12R2.1081 ClC1=CC=CC2=C1CNCC2 SY041616 [0,0,0,1,0,0|2,1,0]=4 173 B12R2.1081 ClC1=CC=CC2=C1NCCC2 SY183818 [0,0,0,1,0,0|2,1,0]=4 174 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY116736 [0,0,0,1,0,0|1,0,0]=2 175 B12R2.1081 O=C1NC=CC2=C1CCNC2 SY274503 [0,0,0,1,0,0|2,0,0]=3 176 B12R2.1081 OC1=C2CCCCC2=CC=C1 SY049625 [0,0,0,1,0,0|2,0,0]=3 177 B12R2.1081 OC1=C2NCCCC2=CC=C1 SY010056 [0,0,0,1,0,0|3,0,0]=4 178 B10R1.29 CCCCC1=C(Br)SC=C1 SY037112 [0,0,0,0,1,0|2,0,0]=3 179 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [2,0,0,0,0,0|0,0,2]=4 181 B9R1.8 CCCC1=CC=CCC1 SY292099 [2,0,0,0,0,0|0,0,2]=4 182 B9R1.8 CCCC1=NC=CC=C1 SY035538 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.8 CNCC1=CC=CN=C1 SY002368 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.8 CNCC1=CC=NC=C1 SY002386 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.8 CNCC1=NC=CC=C1 SY003781 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.8 COCC1=CC=CC=C1 SY049310 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.8 NCCC1=CC=CN=C1 SY003234 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.8 NNCC1=CC=CC=C1 SY004756 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.8 NNCC1=CC=CC=C1 SY004764 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.8 NNCC1=NC=CC=C1 SY042125 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.8 NOCC1=CC=CC=C1 SY005671 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.8 NOCC1=CC=CC=C1 SY018100 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.8 NOCC1=CC=CN=C1 SY029692 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.8 NOCC1=CC=CN=C1 SY281597 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.8 NOCC1=CC=NC=C1 SY281602 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.8 NOCC1=CC=NC=C1 SY281603 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.8 NOCC1=NC=CC=C1 SY281576 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 NOCC1=NC=CC=C1 SY281577 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.8 OCCC1=CC=CN=C1 SY004170 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.8 OCCC1=CC=NC=C1 SY001138 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.8 ONCC1=CC=CC=C1 SY019534 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.8 ONCC1=CC=CC=C1 SY024088 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.8 SCCC1=CC=CC=C1 SY039368 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.15 BrCC1=NC=CC=C1Br SY223889 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.15 C#CC1=CC=CC=C1Br SY036900 [2,0,0,0,0,0|0,0,2]=4 206 B9R1.15 C=CC1=C(Br)C=CC=C1 SY017137 [2,0,0,0,0,0|0,0,2]=4 207 B9R1.15 CC1=C(CO)C=CC=C1 SY013626 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.15 CC1=C(NN)C=CC=C1 SY004795 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 CC1=CC=CC=C1ON SY282054 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.15 CC1=CC=CC=C1ON SY282055 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.15 CC1=NC=CC=C1CN SY035172 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.15 CCC1=C(Br)C=NC=C1 SY029943 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.15 CCC1=CC=CC=C1O SY012952 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.15 CCC1=NC=CC=C1Br SY029944 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.15 CCC1=NC=NC=C1Br SY271974 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.15 CNC1=C(N)C=NC=C1 SY059863 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.15 CNC1=CC=CC=C1Br SY246165 [2,0,0,0,0,0|0,0,0]=2 218 B9R1.15 CNC1=CC=CC=C1Cl SY048562 [2,0,0,0,0,0|0,1,0]=3 219 B9R1.15 CNC1=CC=CC=C1F SY018442 [2,0,0,0,0,0|0,1,0]=3 220 B9R1.15 CNC1=CC=CC=C1N SY045512 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.15 COC1=C(Br)C=NC=C1 SY039028 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.15 COC1=C(I)C=CC=C1 SY017939 [2,0,0,0,0,0|1,1,0]=4 223 B9R1.15 COC1=CC=CC=C1Cl SY026857 [2,0,0,0,0,0|1,1,0]=4 224 B9R1.15 COC1=CC=CC=C1N SY277586 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.15 COC1=CC=CC=C1O SY048708 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.15 COC1=CC=CN=C1Br SY017484 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.15 COC1=NC=CC=C1Br SY007904 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 CSC1=C(O)C=CC=C1 SY008439 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.15 ClCC1=C(Br)C=NC=C1 SY021915 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.15 ClCC1=NC=CC=C1Br SY014101 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 NC1=C(CO)C=CC=C1 SY006439 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.15 NCC1=C(Br)C=NC=C1 SY035350 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.15 NCC1=C(Cl)C=NC=C1 SY035349 [2,0,0,0,0,0|1,1,0]=4 234 B9R1.15 NCC1=C(F)C=NC=C1 SY035166 [2,0,0,0,0,0|1,1,0]=4 235 B9R1.15 NCC1=CC=CC=C1I SY041411 [2,0,0,0,0,0|0,1,0]=3 236 B9R1.15 NCC1=CC=CC=C1O SY018673 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.15 NCC1=CC=CN=C1F SY163261 [2,0,0,0,0,0|1,1,0]=4 238 B9R1.15 NCC1=NC=CC=C1F SY035457 [2,0,0,0,0,0|1,1,0]=4 239 B9R1.15 NCC1=NC=CC=C1F SY042134 [2,0,0,0,0,0|1,1,0]=4 240 B9R1.15 NCC1=NC=CC=C1F SY047766 [2,0,0,0,0,0|1,1,0]=4 241 B9R1.15 NCC1=NC=CC=C1N SY035169 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.15 NNC1=CC=CC=C1F SY022145 [2,0,0,0,0,0|1,1,0]=4 243 B9R1.15 NOC1=CC=CC=C1Br SY282434 [2,0,0,0,0,0|1,0,0]=3 244 B9R1.15 NOC1=CC=CC=C1Br SY282435 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.15 NOC1=CC=CC=C1Cl SY199224 [2,0,0,0,0,0|1,1,0]=4 246 B9R1.15 NOC1=CC=CC=C1Cl SY282090 [2,0,0,0,0,0|1,1,0]=4 247 B9R1.15 NOC1=CC=CC=C1F SY164880 [2,0,0,0,0,0|1,1,0]=4 248 B9R1.15 NOC1=CC=CC=C1F SY199220 [2,0,0,0,0,0|1,1,0]=4 249 B9R1.15 O=CC1=CC=CC=C1Br SY001671 [2,0,0,0,0,0|1,0,1]=4 250 B9R1.15 OCC1=C(Br)C=CC=C1 SY006444 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.15 OCC1=C(Br)C=NC=C1 SY021906 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.15 OCC1=C(Cl)C=CC=C1 SY003561 [2,0,0,0,0,0|1,1,0]=4 253 B9R1.15 OCC1=C(I)C=CC=C1 SY013872 [2,0,0,0,0,0|1,1,0]=4 254 B9R1.15 OCC1=C(O)C=CC=C1 SY012296 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.15 OCC1=CC=CC=C1F SY032653 [2,0,0,0,0,0|1,1,0]=4 256 B9R1.15 OCC1=CC=CN=C1Br SY053416 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.15 OCC1=NC=CC=C1Br SY014320 [2,0,0,0,0,0|2,0,0]=4 258 B11R1.13 CCOC1=C(F)C(F)=CC=C1 SY016260 [1,1,0,0,0,0|1,1,0]=4 259 B11R1.13 CNCC1=CC=CC(F)=C1F SY014375 [1,1,0,0,0,0|0,1,0]=3 260 B11R1.13 NCCC1=CC=CC(O)=C1O SY271550 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.13 NOCC1=CC=CC(Cl)=C1Cl SY281841 [1,1,0,0,0,0|1,1,0]=4 262 B11R1.13 NOCC1=CC=CC(Cl)=C1Cl SY281842 [1,1,0,0,0,0|1,1,0]=4 263 B11R1.13 NOCC1=CC=CC(Cl)=C1F SY281762 [1,1,0,0,0,0|1,1,0]=4 264 B11R1.13 NOCC1=CC=CC(Cl)=C1F SY281763 [1,1,0,0,0,0|1,1,0]=4 265 B11R1.13 NOCC1=CC=CC(F)=C1Cl SY281806 [1,1,0,0,0,0|1,1,0]=4 266 B11R1.13 NOCC1=CC=CC(F)=C1Cl SY281807 [1,1,0,0,0,0|1,1,0]=4 267 B11R1.41 CCOC1=CC=CC=C1C#N SY017064 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.41 CNCC1=CC=CC=C1CO SY021761 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.41 CNCC1=CC=CC=C1OC SY107300 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.41 COC1=CC=CC=C1CCO SY023218 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.81 CC1=CC(Br)=C(OCCl)C=C1 SY298462 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.81 CC1=CC=C(CON)C(C)=C1 SY281864 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.81 CC1=CC=C(CON)C(C)=C1 SY281865 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.81 CCSC1=CC=C(Cl)N=C1Br SY285814 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl SY002431 [1,1,0,0,0,0|0,1,0]=3 276 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl SY002433 [1,1,0,0,0,0|0,1,0]=3 277 B11R1.81 ClC1=CC=C(CCBr)C(Cl)=C1 SY272654 [1,1,0,0,0,0|1,1,0]=4 278 B11R1.81 FC1=CC(Br)=CC=C1CCBr SY262898 [1,1,0,0,0,0|1,1,0]=4 279 B11R1.81 N#CCC1=CC=C(F)C=C1Br SY021837 [1,1,0,0,0,0|0,0,2]=4 280 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 SY024168 [1,1,0,0,0,0|0,0,0]=2 281 B11R1.81 NCCC1=CC=C(Cl)C=C1Br SY026059 [1,1,0,0,0,0|0,0,0]=2 282 B11R1.81 NCCC1=CC=C(Cl)C=C1Cl SY016934 [1,1,0,0,0,0|0,1,0]=3 283 B11R1.81 NCCC1=CC=C(F)C=C1Br SY026084 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.81 NCCC1=CC=C(F)C=C1F SY025989 [1,1,0,0,0,0|0,1,0]=3 285 B11R1.81 NNCC1=CC=C(Br)C=C1F SY048094 [1,1,0,0,0,0|1,1,0]=4 286 B11R1.81 NNCC1=CC=C(Cl)C=C1Cl SY026144 [1,1,0,0,0,0|1,1,0]=4 287 B11R1.81 NNCC1=CC=C(F)C=C1Br SY048101 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.81 NNCC1=CC=C(F)C=C1Cl SY048095 [1,1,0,0,0,0|1,1,0]=4 289 B11R1.81 NNCC1=CC=C(F)C=C1F SY040720 [1,1,0,0,0,0|1,1,0]=4 290 B11R1.81 NOCC1=CC=C(Br)C=C1F SY281756 [1,1,0,0,0,0|1,1,0]=4 291 B11R1.81 NOCC1=CC=C(Br)C=C1F SY281757 [1,1,0,0,0,0|1,1,0]=4 292 B11R1.81 NOCC1=CC=C(F)C=C1Cl SY281760 [1,1,0,0,0,0|1,1,0]=4 293 B11R1.81 NOCC1=CC=C(F)C=C1F SY281565 [1,1,0,0,0,0|1,1,0]=4 294 B11R1.81 NOCC1=CC=C(F)C=C1F SY281566 [1,1,0,0,0,0|1,1,0]=4 295 B11R1.81 OCCC1=CC=C(Cl)C=C1Cl SY021862 [1,1,0,0,0,0|1,1,0]=4 296 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 SY011510 [1,1,0,0,0,0|0,0,1]=3 297 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 SY037165 [1,1,0,0,0,0|0,1,1]=4 298 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 SY034454 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.86 CC(=O)OC1=CC=CC=C1Br SY265515 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.86 CC(C)CC1=CC=CC=C1N SY036357 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.86 CC(C)NC1=CC=CC=C1S SY232861 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.86 CC(C)OC1=CC=CC=C1N SY006071 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.86 CC(C)OC1=CC=CC=C1O SY062038 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.86 CC(C)OC1=NC=CC=C1Br SY077021 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.86 CC(C)SC1=CC=CC=C1N SY123012 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.86 FC(F)OC1=CC=CC=C1Br SY024312 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.86 N=C(N)CC1=C(Cl)C=CC=C1 SY003979 [1,1,0,0,0,0|0,1,1]=4 308 B11R1.86 NC(=O)CC1=CC=CC=C1Cl SY016301 [1,1,0,0,0,0|0,1,1]=4 309 B11R1.86 O=C(O)CC1=CC=CC=C1Br SY003588 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.182 CCSC1=CC(Cl)=CN=C1Br SY285816 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.182 CNCC1=CC(Br)=CC=C1O SY018706 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.182 CNCC1=CC(Cl)=CC=C1O SY018708 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.182 CNCC1=CC(F)=CC=C1O SY018704 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.182 NNCC1=CC(Br)=CC=C1F SY048100 [1,1,0,0,0,0|1,1,0]=4 315 B11R1.182 NNCC1=CC(Cl)=CC=C1Br SY048099 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.182 NNCC1=CC(F)=CC=C1Cl SY048096 [1,1,0,0,0,0|1,1,0]=4 317 B11R1.182 NOCC1=CC(Cl)=CC=C1Br SY281792 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.182 NOCC1=CC(Cl)=CC=C1Br SY281793 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.182 NOCC1=CC(Cl)=CC=C1Cl SY281694 [1,1,0,0,0,0|1,1,0]=4 320 B11R1.182 NOCC1=CC(Cl)=CC=C1Cl SY281695 [1,1,0,0,0,0|1,1,0]=4 321 B11R1.182 NOCC1=CC(Cl)=CC=C1F SY281679 [1,1,0,0,0,0|1,1,0]=4 322 B11R1.182 NOCC1=CC(Cl)=CC=C1F SY281680 [1,1,0,0,0,0|1,1,0]=4 323 B11R1.182 NOCC1=CC(F)=CC=C1Br SY281764 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.182 NOCC1=CC(F)=CC=C1Br SY281765 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.182 NOCC1=CC(F)=CC=C1F SY281719 [1,1,0,0,0,0|1,1,0]=4 326 B11R1.182 NOCC1=CC(F)=CC=C1F SY281720 [1,1,0,0,0,0|1,1,0]=4 327 B11R1.222 C#CC(O)C1=CC=CC=C1Br SY045260 [1,1,0,0,0,0|0,0,2]=4 328 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 SY015244 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.222 CCC(=O)C1=CC=CC=C1Cl SY031881 [1,1,0,0,0,0|0,1,1]=4 330 B11R1.222 CCC(=O)C1=CC=CC=C1F SY003995 [1,1,0,0,0,0|0,1,1]=4 331 B11R1.222 CNC(=O)C1=CC=CC=C1Br SY025140 [1,1,0,0,0,0|0,0,1]=3 332 B11R1.222 CNC(=O)C1=CC=CC=C1N SY005082 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.222 CNC(=O)C1=CC=CC=C1O SY034205 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.222 COC(=N)C1=CC=CC=C1Br SY028779 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.222 COC(=O)C1=CC=CC=C1Br SY001469 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034840 [1,1,0,0,0,0|0,1,0]=3 337 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034841 [1,1,0,0,0,0|0,1,0]=3 338 B11R1.222 O=C(CBr)C1=CC=CC=C1Br SY041192 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.222 O=C(CO)C1=CC=CC=C1Br SY130966 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.222 OC[C@@H](O)C1=CC=CC=C1Cl SY033747 [1,1,0,0,0,0|1,1,0]=4 341 B11R1.605 CC1=CC=CC(C)=C1CON SY281856 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.605 CC1=CC=CC(C)=C1CON SY281857 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.605 ClCOC1=C(Br)C=CC=C1Br SY298349 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.605 NCCC1=C(Cl)C=CC=C1Cl SY016995 [1,1,0,0,0,0|0,1,0]=3 345 B11R1.605 NOCC1=C(F)C=CC=C1Cl SY281681 [1,1,0,0,0,0|1,1,0]=4 346 B11R1.605 NOCC1=C(F)C=CC=C1F SY281754 [1,1,0,0,0,0|1,1,0]=4 347 B11R1.605 NOCC1=C(F)C=CC=C1F SY281755 [1,1,0,0,0,0|1,1,0]=4 348 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl SY021863 [1,1,0,0,0,0|1,1,0]=4 349 B11R1.1 C=CCCC1=CC=C(O)C=C1 SY045828 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.1 CCCCC1=CC=C(Br)C=C1 SY013489 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.1 CCCCC1=CC=C(I)C=C1 SY029294 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.1 CCCOC1=CC=C(O)C=C1 SY036399 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.1 CCNCC1=CC=C(Br)C=C1 SY002622 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.1 CCNCC1=CC=C(C)C=C1 SY045939 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SY002523 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.1 CCNCC1=CC=C(F)C=C1 SY002625 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.1 CCNCC1=CC=C(N)C=C1 SY003699 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.1 CCNCC1=CC=C(O)C=C1 SY018668 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.1 CNCCC1=CC=C(Cl)C=C1 SY002514 [1,1,0,0,0,0|0,0,0]=2 360 B11R1.1 COCOC1=CC=C(Br)C=C1 SY013180 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.1 FC1=CC=C(CCCI)C=C1 SY249460 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281852 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281853 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281706 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281707 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.1 OCCCC1=CC=C(Br)C=C1 SY008370 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SY062743 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.16 CC(CCN)C1=CC=CC=C1 SY035468 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.16 CCCC(N)C1=CC=NC=C1 SY014555 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.16 CCCC(N)C1=CN=CC=C1 SY014556 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.16 CCCC(N)C1=NC=CC=C1 SY014554 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.16 CNNC(=O)C1=CC=CC=C1 SY294316 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SY025161 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SY039587 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.16 ClCCC(Br)C1=CC=CC=C1 SY027094 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.16 NC(CCO)C1=CC=CC=C1 SY013381 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SY033781 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 SY002040 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.16 OC(CCCl)C1=CC=CC=C1 SY021671 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.16 OCCC(O)C1=CC=CC=C1 SY271569 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SY021625 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 SY021621 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.24 CCNCC1=CC=CC(Br)=C1 SY002525 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.24 CCNCC1=CC=CC(Cl)=C1 SY045903 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.24 CCNCC1=CC=CC(F)=C1 SY002642 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.24 CCNCC1=CC=CC(O)=C1 SY018672 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.24 CNCCC1=CC=CC(Cl)=C1 SY002516 [1,1,0,0,0,0|0,0,0]=2 388 B11R1.24 CNCCC1=CC=CC(F)=C1 SY002844 [1,1,0,0,0,0|0,0,0]=2 389 B11R1.24 COCOC1=CC(Br)=CC=C1 SY165520 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.24 COCOC1=CC=CC(Cl)=C1 SY224767 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.28 BrCCCCC1=CC=CC=C1 SY036816 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.28 BrCCCOC1=CC=CC=C1 SY020995 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.28 BrCCOCC1=CC=CC=C1 SY021677 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.28 C#CCOCC1=CC=CC=C1 SY025593 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.28 C=CCNCC1=CC=CC=C1 SY051146 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.28 C=CCOCC1=CC=CC=C1 SY052476 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.28 CCNCCC1=CC=CC=C1 SY248623 [1,1,0,0,0,0|0,0,0]=2 398 B11R1.28 ClCCCCC1=CC=NC=C1 SY226263 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.28 ClCCNCC1=CC=CC=C1 SY239742 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.28 ICCOCC1=CC=CC=C1 SY260861 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.28 N#CCOCC1=CC=CC=C1 SY129386 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.28 NCCOCC1=CC=CC=C1 SY018893 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.28 NNCCOC1=CC=CC=C1 SY048090 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.28 NOCCCC1=CC=CC=C1 SY281833 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.28 NOCCCC1=CC=CC=C1 SY281834 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.28 NOCCOC1=CC=CC=C1 SY006322 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.28 O=CCCCC1=CC=CC=C1 SY236716 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.28 OCCCCC1=CC=CC=C1 SY015871 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.28 OCCCCC1=CC=CN=C1 SY022160 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.28 OCCCCC1=CC=NC=C1 SY008209 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.28 OCCCCC1=CC=NC=C1 SY008241 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.28 OCCCCC1=NC=CC=C1 SY022161 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.28 OCCNCC1=CC=CC=C1 SY001172 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.28 OCCOCC1=CC=CC=C1 SY015814 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [1,1,0,0,0,0|1,0,1]=4 424 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.230 CCCCC1=C(Br)SC(Br)=C1 SY033194 [0,1,0,0,1,0|2,0,0]=4 426 B13R1.164 CC(=O)OCC1=CC=C(I)C=C1Br SY274360 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.2679 COC(=O)CC1=CC=C(Cl)C=C1Br SY045730 [0,2,0,0,0,0|1,0,1]=4 428 B13R1.157 CC(C)(C)OCC1=CC=CC=C1Br SY250806 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.202 NC(CC1=CC=CC=C1Br)C(=O)O SY026385 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O SY035314 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.528 COC(=O)CCC1=CC=CC=C1Br SY017608 [0,2,0,0,0,0|1,0,0]=3 432 B13R1.3787 CC(=O)OCC1=C(Br)C=CC=C1Br SY031426 [0,2,0,0,0,0|2,0,0]=4 433 B11R2.10 BrC1CC2=C(C=CC=C2)C1 SY185759 [1,0,0,1,0,0|2,0,0]=4 434 B11R2.10 CC1=CC2=C(C=CC=C2)C1 SY037985 [1,0,0,1,0,0|1,0,1]=4 435 B11R2.10 CC1CC2=C(C=CC=C2)N1 SY014921 [1,0,0,1,0,0|1,0,0]=3 436 B11R2.10 OC1CC2=C(C=CC=C2)C1 SY033139 [1,0,0,1,0,0|2,0,0]=4 437 B11R2.20 C1=CC2=C(C=C1)CCC=C2 SY050004 [1,0,0,1,0,0|1,0,1]=4 438 B11R2.20 C1=CC2=C(C=C1)CCN=C2 SY025255 [1,0,0,1,0,0|1,0,1]=4 439 B11R2.20 C1=CC2=C(C=C1)CNCC2 SY001156 [1,0,0,1,0,0|1,0,0]=3 440 B11R2.20 C1=CC2=C(C=C1)CNNC2 SY022231 [1,0,0,1,0,0|2,0,0]=4 441 B11R2.20 C1=CC2=C(C=C1)COCC2 SY018228 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.20 C1=CC2=C(C=C1)CSCC2 SY286030 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.20 C1=CC2=C(C=C1)NCCC2 SY001847 [1,0,0,1,0,0|1,0,0]=3 444 B11R2.20 C1=CC2=C(C=C1)NCCN2 SY025682 [1,0,0,1,0,0|2,0,0]=4 445 B11R2.20 C1=CC2=C(C=C1)OCCC2 SY174231 [1,0,0,1,0,0|1,0,0]=3 446 B11R2.20 C1=CC2=C(C=C1)OCCN2 SY011618 [1,0,0,1,0,0|2,0,0]=4 447 B11R2.20 C1=CC2=C(C=N1)CCCN2 SY023238 [1,0,0,1,0,0|2,0,0]=4 448 B11R2.20 C1=CC2=C(CCCC2)N=C1 SY004991 [1,0,0,1,0,0|2,0,0]=4 449 B11R2.20 C1=CC2=C(CCNC2)N=C1 SY022463 [1,0,0,1,0,0|2,0,0]=4 450 B11R2.20 C1=CC2=C(CNCC2)N=C1 SY114285 [1,0,0,1,0,0|2,0,0]=4 451 B11R2.20 C1=CC2=C(N=C1)NCCC2 SY022462 [1,0,0,1,0,0|2,0,0]=4 452 B11R2.20 C1=CC=C2OCCOC2=C1 SY032893 [1,0,0,1,0,0|2,0,0]=4 453 B11R2.20 C1=CC=C2SCCNC2=C1 SY079423 [1,0,0,1,0,0|2,0,0]=4 454 B11R2.20 C1=CN=C2CCCNC2=C1 SY011552 [1,0,0,1,0,0|2,0,0]=4 455 B11R2.20 C1=CN=C2CCNCC2=C1 SY022124 [1,0,0,1,0,0|2,0,0]=4 456 B11R2.20 C1=NC=C2CNCCC2=C1 SY102429 [1,0,0,1,0,0|2,0,0]=4 457 B11R2.55 BrC1=CC=CC=C1C2CC2 SY024558 [1,0,0,1,0,0|0,0,0]=2 458 B11R2.55 BrC1=CC=CN=C1C2CC2 SY041201 [1,0,0,1,0,0|1,0,0]=3 459 B11R2.55 CC1=CC=CC=C1C2CC2 SY263839 [1,0,0,1,0,0|1,0,0]=3 460 B11R2.55 CC1=CC=CN=C1C2CC2 SY264189 [1,0,0,1,0,0|2,0,0]=4 461 B11R2.55 NC1=CC=CC=C1C2CC2 SY249445 [1,0,0,1,0,0|1,0,0]=3 462 B11R2.106 BrC1=C2CCCC2=NC=N1 SY261733 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.106 BrC1=C2OCCC2=CC=C1 SY021969 [1,0,0,1,0,0|1,0,0]=3 464 B11R2.106 BrC1=C2OCOC2=CC=C1 SY021228 [1,0,0,1,0,0|2,0,0]=4 465 B11R2.106 BrC1=CC=CC2=C1C=CN2 SY008903 [1,0,0,1,0,0|0,0,2]=4 466 B11R2.106 BrC1=CC=CC2=C1C=NN2 SY003799 [1,0,0,1,0,0|1,0,1]=4 467 B11R2.106 BrC1=CC=CC2=C1CCC2 SY022574 [1,0,0,1,0,0|0,0,0]=2 468 B11R2.106 BrC1=CC=CC2=C1CCN2 SY012369 [1,0,0,1,0,0|0,0,0]=2 469 B11R2.106 BrC1=CC=CC2=C1CCN2 SY023050 [1,0,0,1,0,0|0,0,0]=2 470 B11R2.106 BrC1=CC=CC2=C1CNC2 SY006795 [1,0,0,1,0,0|0,0,0]=2 471 B11R2.106 BrC1=CC=CC2=C1COC2 SY022575 [1,0,0,1,0,0|1,0,0]=3 472 B11R2.106 BrC1=CC=CC2=C1NCC2 SY065701 [1,0,0,1,0,0|1,0,0]=3 473 B11R2.106 CC1=CC=CC2=C1CCN2 SY019161 [1,0,0,1,0,0|1,0,0]=3 474 B11R2.106 CC1=CC=CC2=C1NCC2 SY107457 [1,0,0,1,0,0|2,0,0]=4 475 B11R2.106 FC1=CC=CC2=C1CCN2 SY129312 [1,0,0,1,0,0|0,1,0]=3 476 B11R2.106 NC1=C2CCOC2=CC=C1 SY033411 [1,0,0,1,0,0|2,0,0]=4 477 B11R2.106 NC1=C2OCCC2=CC=C1 SY033410 [1,0,0,1,0,0|2,0,0]=4 478 B11R2.106 NC1=CC=CC2=C1CCC2 SY106803 [1,0,0,1,0,0|1,0,0]=3 479 B11R2.106 NC1=CC=CC2=C1COC2 SY023225 [1,0,0,1,0,0|2,0,0]=4 480 B11R2.106 NC1=CC=CC2=C1NCC2 SY158209 [1,0,0,1,0,0|2,0,0]=4 481 B11R2.106 OC1=CC=CC2=C1CCC2 SY107623 [1,0,0,1,0,0|1,0,0]=3 482 B11R2.1 C1=CC2=C(C=C1)C=CN2C SY246326 [1,0,0,1,0,0|0,0,2]=4 483 B11R2.1 C1=CC2=C(C=C1)N(C)C=C2 SY246277 [1,0,0,1,0,0|0,0,2]=4 484 B11R2.1 C1=CC2=C(C=CC=C2)N1C SY246324 [1,0,0,1,0,0|0,0,2]=4 485 B11R2.1 C1=CC=CC2=C1C=CN2C SY246325 [1,0,0,1,0,0|0,0,2]=4 486 B11R2.1 C1=CC=CC2=C1N(C)C=C2 SY246327 [1,0,0,1,0,0|0,0,2]=4 487 B11R2.1 C=C1CCC2=C1C=CC=C2 SY031740 [1,0,0,1,0,0|1,0,1]=4 488 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [1,0,0,1,0,0|2,0,0]=4 489 B11R2.1 CN1C=NC2=CC=CC=C21 SY042696 [1,0,0,1,0,0|1,0,1]=4 490 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [1,0,0,1,0,0|1,0,0]=3 491 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [1,0,0,1,0,0|2,0,0]=4 492 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [1,0,0,1,0,0|2,0,0]=4 493 B11R2.1 NN1CCC2=C1C=CC=C2 SY096651 [1,0,0,1,0,0|1,0,0]=3 494 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [1,0,0,1,0,0|2,0,0]=4 495 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [1,0,0,1,0,0|2,0,0]=4 496 B11R2.1 O=C1CCC2=C1C=CC=C2 SY001380 [1,0,0,1,0,0|2,0,0]=4 497 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [1,0,0,1,0,0|2,0,0]=4 498 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [1,0,0,1,0,0|2,0,0]=4 499 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [1,0,0,1,0,0|2,0,0]=4 500 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [1,0,0,1,0,0|2,0,0]=4 501 B11R2.238 C1=CC=C(NC2CC2)C=C1 SY207735 [1,0,0,1,0,0|2,0,0]=4 502 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267170 [1,0,0,1,0,0|1,0,0]=3 503 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267171 [1,0,0,1,0,0|1,0,0]=3 504 B11R2.239 C1=CC=C(C2CNC2)C=C1 SY059527 [1,0,0,1,0,0|0,0,0]=2 505 B11R2.239 C1=CN=C(C2CNC2)C=C1 SY267180 [1,0,0,1,0,0|1,0,0]=3 506 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267167 [1,0,0,1,0,0|1,0,0]=3 507 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267168 [1,0,0,1,0,0|1,0,0]=3 508 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O SY101951 [0,1,0,1,0,0|2,0,0]=4 509 B13R2.32 CC1CCC2=C(C=CC=C2)N1C SY280205 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.162 O=C1CCC2=C(C1)C(Br)=CC=C2 SY042920 [0,1,0,1,0,0|1,0,1]=4 511 B13R2.3022 CC1=C(C)C(C2CNC2)=CC=C1 SY267255 [0,1,0,1,0,0|1,0,0]=3 512 B13R2.3022 CC1=C(C)C(C2CNC2)=CC=C1 SY267256 [0,1,0,1,0,0|1,0,0]=3 513 B13R2.3022 FC1=C(F)C(C2CNC2)=CC=C1 SY258793 [0,1,0,1,0,0|0,1,0]=3 514 B13R2.3022 FC1=C(F)C(C2CNC2)=CC=C1 SY267377 [0,1,0,1,0,0|0,1,0]=3 515 B13R2.4820 BrC1=C2CCCCCC2=CC=C1 SY271866 [0,1,0,1,0,0|1,0,0]=3 516 B13R2.4820 BrC1=C2CCNCCC2=CC=C1 SY295187 [0,1,0,1,0,0|0,0,0]=2 517 B13R2.5180 CN1N=CC2=C1C=CC(F)=C2Br SY286623 [0,1,0,1,0,0|1,0,1]=4 518 B13R2.155 CN1CCC2=C(C=C(Br)C=C2)C1 SY265426 [0,1,0,1,0,0|1,0,0]=3 519 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 SY098224 [0,1,0,1,0,0|1,0,0]=3 520 B13R2.328 CC1=CC(Br)=CC2=C1CCNC2 SY253757 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.328 ClC1=CC2=C(CCNC2)C(Cl)=C1 SY078720 [0,1,0,1,0,0|0,1,0]=3 522 B13R2.328 ClC1=CC2=C(CCNC2)C(Cl)=C1 SY140719 [0,1,0,1,0,0|0,1,0]=3 523 B13R2.3742 O=C1CCC2=C1C=C(F)C=C2Br SY101995 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.13518 CC1=CC=C(C2CNC2)C(C)=C1 SY267251 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.13518 CC1=CC=C(C2CNC2)C(C)=C1 SY267252 [0,1,0,1,0,0|1,0,0]=3 526 B13R2.13518 ClC1=CC(Cl)=NC=C1C2CNC2 SY298675 [0,1,0,1,0,0|1,1,0]=4 527 B13R2.13518 FC1=CC=C(C2CNC2)C(F)=C1 SY267249 [0,1,0,1,0,0|0,1,0]=3 528 B13R2.13518 FC1=CC=C(C2CNC2)C(F)=C1 SY267250 [0,1,0,1,0,0|0,1,0]=3 529 B13R2.33 O=C1CCC2=CC=CC=C2CC1 SY036148 [0,1,0,1,0,0|2,0,0]=4 530 B13R2.57 NCC1CCC2=C(C=CC=C2)O1 SY240524 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.57 NCC1CCC2=C(C=CC=C2)O1 SY250687 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.57 NNC1CCC2=C(C=CC=C2)C1 SY265143 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.1613 BrCC1=CC=CC2=C1CCCC2 SY024654 [0,1,0,1,0,0|1,0,0]=3 534 B13R2.1613 OCC1=C2CCCCC2=CC=C1 SY025660 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.2528 CCC1=CC=CC=C1C2CNC2 SY267259 [0,1,0,1,0,0|1,0,0]=3 536 B13R2.2528 CCC1=CC=CC=C1C2CNC2 SY267260 [0,1,0,1,0,0|1,0,0]=3 537 B13R2.2528 COC1=C(C2CNC2)C=NC=C1 SY267579 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.2528 COC1=C(C2CNC2)C=NC=C1 SY267580 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.2528 COC1=CC=CC=C1C2CNC2 SY267233 [0,1,0,1,0,0|1,0,0]=3 540 B13R2.2528 COC1=CC=CC=C1C2CNC2 SY267234 [0,1,0,1,0,0|1,0,0]=3 541 B13R2.2528 COC1=CC=CN=C1C2CNC2 SY267607 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.2528 COC1=CC=CN=C1C2CNC2 SY267608 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.2528 COC1=NC=CC=C1C2CNC2 SY267571 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.2528 COC1=NC=CC=C1C2CNC2 SY267572 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)C1 SY033757 [0,1,0,1,0,0|1,1,0]=4 546 B13R2.216 OC1CC(C2=CC=CC=C2Cl)C1 SY033758 [0,1,0,1,0,0|1,1,0]=4 547 B13R2.222 CC1(C)CCC2=C(C=CC=C2)N1 SY205781 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.3571 FC1(F)CC1C2=CC=CC=C2Br SY295816 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.5179 O=C1CC2=C(CN1)C(Br)=CC=C2 SY263243 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 SY035130 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.18 BrC1=CC=CC=C1C2CCNC2 SY258994 [0,1,0,1,0,0|0,0,0]=2 552 B13R2.18 BrC1=CC=CC=C1C2OCCO2 SY050277 [0,1,0,1,0,0|2,0,0]=4 553 B13R2.18 BrC1=CC=CC=C1N2CCCC2 SY033680 [0,1,0,1,0,0|1,0,0]=3 554 B13R2.18 ClC1=CC=CC=C1C2CCNC2 SY035246 [0,1,0,1,0,0|0,1,0]=3 555 B13R2.18 FC1=CC=CC=C1C2CCCN2 SY102416 [0,1,0,1,0,0|1,1,0]=4 556 B13R2.18 NC1=CC=CC=C1C2CCCN2 SY246717 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.342 O=C1CCCC2=C1C=CC=C2Br SY107005 [0,1,0,1,0,0|1,0,1]=4 558 B13R2.342 O=C1NCCC2=C1C=CC=C2Br SY111299 [0,1,0,1,0,0|0,0,1]=3 559 B13R2.3569 CC1=CC=CC=C1C2(N)CCC2 SY213493 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.3569 CC1=CC=CC=C1C2(N)CCC2 SY226683 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.3569 CC1=CC=CC=C1C2(O)CCC2 SY264720 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.3569 NC1(C2=CC=CC=C2Br)CCC1 SY225683 [0,1,0,1,0,0|1,0,0]=3 563 B13R2.3569 NC1(C2=CC=CC=C2Cl)CCC1 SY225684 [0,1,0,1,0,0|1,1,0]=4 564 B13R2.3569 NC1(C2=CC=CC=C2F)CCC1 SY225682 [0,1,0,1,0,0|1,1,0]=4 565 B13R2.3569 NC1=CC=CC=C1C2(N)CCC2 SY225640 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.3569 OC1(C2=CC=CC=C2F)COC1 SY284134 [0,1,0,1,0,0|1,1,0]=4 567 B13R2.4818 NC1CCCC2=CC=CC(O)=C21 SY272104 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.4818 O=C1CCCC2=C1C(Br)=CC=C2 SY258037 [0,1,0,1,0,0|1,0,1]=4 569 B13R2.217 OC1(CC2=C(Cl)C=CC=C2)CC1 SY035361 [0,1,0,1,0,0|1,1,0]=4 570 B13R2.4825 CC1CC2=C(C=CC=C2Br)C1=O SY038095 [0,1,0,1,0,0|2,0,0]=4 571 B13R2.4825 CN1C(=O)CC2=C(Br)C=CN=C21 SY263014 [0,1,0,1,0,0|1,0,1]=4 572 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2N SY263286 [0,1,0,1,0,0|1,0,1]=4 573 B13R2.174 CC1=CC=C(C)C(C2CNC2)=C1 SY267257 [0,1,0,1,0,0|1,0,0]=3 574 B13R2.174 CC1=CC=C(C)C(C2CNC2)=C1 SY267258 [0,1,0,1,0,0|1,0,0]=3 575 B13R2.174 FC1=CC=C(F)C(C2CNC2)=C1 SY267264 [0,1,0,1,0,0|0,1,0]=3 576 B13R2.174 FC1=CC=C(F)C(C2CNC2)=C1 SY267265 [0,1,0,1,0,0|0,1,0]=3 577 B13R2.371 FC1=C2CCCCC2=C(Br)C=C1 SY273244 [0,1,0,1,0,0|1,0,0]=3 578 B13R2.5151 O=C1CCC2=C1C(F)=CC=C2Br SY102867 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.3490 CC1=CC=CC(C)=C1C2CNC2 SY267253 [0,1,0,1,0,0|1,0,0]=3 580 B13R2.3490 CC1=CC=CC(C)=C1C2CNC2 SY267254 [0,1,0,1,0,0|1,0,0]=3 581 B13R2.3490 FC1=CC=CC(F)=C1C2CNC2 SY267237 [0,1,0,1,0,0|0,1,0]=3 582 B13R2.3490 FC1=CC=CC(F)=C1C2CNC2 SY267238 [0,1,0,1,0,0|0,1,0]=3