0 B11R1.41 CCOC1=C(C#N)C=CC=C1 HR126920 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 CCOC1=C(C=O)C=CC=C1 HR142460 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.41 CCOC1=C(CCl)C=CC=C1 HR121176 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.41 CCOC1=C(CN)C=CC=C1 HR115396 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.41 CCOC1=NC=CC=C1C=O HR152456 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.41 CCOC1=NC=CC=C1CO HR153108 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.41 CCOC1=NC=CN=C1CC HR105528 [0,0,0,0,0,0|0,0,0]=0 7 B10R1.4 CCNC1=CC=CC=C1C HR132311 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CCNC1=NC=CN=C1N HR147238 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.4 CCOC1=C(Br)C=CC=C1 HR3136 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCOC1=C(Cl)C=CC=C1 HR143151 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CCOC1=C(F)C=CC=C1 HR153838 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCOC1=C(O)C=CC=C1 HR134039 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.4 CCOC1=CC=CN=C1C HR33539 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.4 CCOC1=CC=CN=C1F HR152949 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.4 CCOC1=NC=CC=C1Br HR109498 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.4 CCOC1=NC=CC=C1Cl HR155974 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 CCOC1=NC=CN=C1C HR134737 [1,0,0,0,0,0|0,0,0]=1 18 B10R1.4 CCOC1=NC=CN=C1N HR147241 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.20 CCC1=C(CO)C=CC=C1 HR154385 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.20 CCC1=NC=CN=C1CC HR128859 [1,0,0,0,0,0|0,0,0]=1 21 B10R1.20 CCC1=NC=CN=C1OC HR130301 [1,0,0,0,0,0|0,0,0]=1 22 B10R1.20 CCC1=NC=CN=C1SC HR122114 [1,0,0,0,0,0|0,1,0]=2 23 B10R1.20 CNC1=NC=CC=C1CO HR116889 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.20 COC1=C(C#N)C=CC=N1 HR126718 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.20 COC1=C(CBr)C=CC=C1 HR103693 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.20 COC1=C(CCl)C=CC=C1 HR4651 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.20 COC1=C(CN)C=CC=C1 HR123771 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.20 COC1=C(CO)C=CC=C1 HR138804 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.20 COC1=C(OC)C=CC=C1 IVSA07604 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.20 COC1=C(SC)C=CC=C1 HR140362 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.20 COC1=CC=CN=C1C#N HR30036 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.20 COC1=CC=CN=C1C=O HR109982 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.20 COC1=CC=CN=C1OC HR126661 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.20 COC1=NC=CC=C1C=O HR138590 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.20 COC1=NC=CC=C1CN HR148638 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.20 ClCC1=CC=CN=C1CCl HR108722 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.20 OCC1=CC=CN=C1CO HR122041 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 HR116521 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.75 CC(C)OC1=NC=CC=C1C=O HR112099 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.75 CC(C)OC1=NC=CC=C1CO HR153117 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.75 COC1=NC=CN=C1CC(C)C HR127578 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.77 CCC(C)C1=NC=CN=C1OC HR125726 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.112 CCOC1=C(C=O)C=C(Br)C=N1 HR152609 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.112 CCOC1=C(CO)C=C(C)C=C1 HR155910 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.112 CCOC1=C(CO)C=C(Cl)C=C1 HR154491 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.112 CCOC1=NC=C(Br)C=C1CO HR153091 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.112 CCOC1=NC=C(Cl)C=C1C=O HR153097 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.121 COC1=C(OCCN)C=CC=C1 HR128978 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.121 COC1=C(OCCN)C=CC=C1 HR129242 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.121 COCOC1=C(OC)C=CC=C1 HR155304 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.169 CCOC1=C(CC#N)C=CC=C1 HR121491 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.169 CCOC1=C(OCC)C=CC=C1 HR122356 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.283 CCOC1=C(C(=O)O)C=CC=N1 HR153110 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.283 CCOC1=NC=CC=C1B(O)O HR5119 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.283 CCOC1=NC=CN=C1C(C)C HR126331 [0,1,0,0,0,0|0,0,0]=1 56 B12R2.24 CC1CCC2=CC=CC=C2N1 HR140133 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.41 C1=CC2=C(C=C1)NCCCC2 HR105009 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.41 c1cnc2c(c1)CCCCC2 HR115625 [0,0,0,1,0,0|2,0,0]=3 59 B12R2.315 OCC1=CC=CC2=C1OCC2 HR106297 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.1081 CC1CCNC2=CC=CC=C21 HR114938 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.1081 NC1CCCC2=C1C=CC=N2 HR104803 [0,0,0,1,0,0|3,0,0]=4 62 B12R2.1081 NC1CCCC2=C1C=CC=N2 HR116300 [0,0,0,1,0,0|3,0,0]=4 63 B12R2.1081 NC1CCCC2=C1N=CC=C2 HR105618 [0,0,0,1,0,0|3,0,0]=4 64 B12R2.1081 NC1CCCC2=C1N=CC=C2 HR141714 [0,0,0,1,0,0|3,0,0]=4 65 B12R2.1081 NC1CCCC2=C1N=CC=C2 HR30329 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.1081 NC1CCCC2=C1N=CC=N2 HR105119 [0,0,0,1,0,0|2,0,0]=3 67 B12R2.1081 NC1CCOC2=CC=CC=C21 HR111808 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.1081 NC1CCOC2=CC=CC=C21 HR32221 [0,0,0,1,0,0|3,0,0]=4 69 B12R2.1081 O=C1CCOC2=CC=CN=C12 HR147438 [0,0,0,1,0,0|2,0,1]=4 70 B12R2.1081 OC1CCCC2=C1N=CC=C2 HR105927 [0,0,0,1,0,0|3,0,0]=4 71 B12R2.1081 OC1CCOC2=CC=CN=C21 HR121296 [0,0,0,1,0,0|2,0,0]=3 72 B12R2.2048 COC1=NC=CC=C1C2CC2 HR152891 [0,0,0,1,0,0|3,0,0]=4 73 B10R1.5 CCCn1ncnc1CO HR113103 [0,0,0,0,1,0|3,0,0]=4 74 B9R1.8 CCCC1=NC=CC=C1 HR129514 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.8 CCOC1=CC=CC=C1 SOSA06013 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.8 CCOC1=CC=CN=N1 HR148630 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.8 CCOC1=NC=CC=C1 HR1126 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.8 CCOC1=NC=CN=C1 HR132551 [2,0,0,0,0,0|0,0,0]=2 79 B9R1.8 CNCC1=NC=CN=C1 HR146839 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.8 OCCC1=NC=CN=C1 HR109193 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.8 SCCC1=NC=CN=C1 HR126064 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.15 CC1=CC=CN=C1CN HR101019 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.15 CC1=NC=CC=C1CO HR106318 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.15 CCC1=C(C)C=CC=C1 HR141099 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.15 CCC1=C(O)C=CC=C1 HR137341 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.15 CCC1=CC=CN=C1N HR112369 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.15 CCC1=NC=CC=C1Br HR30415 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.15 CCC1=NC=CN=C1C HR133096 [2,0,0,0,0,0|0,0,0]=2 89 B9R1.15 CNC1=NC=CN=C1N HR147239 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.15 COC1=C(C)C=CC=C1 HR137455 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.15 COC1=CC=CN=C1Br HR30133 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.15 COC1=CC=CN=C1Cl HR138618 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.15 COC1=CC=CN=C1F HR152621 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.15 COC1=CC=CN=C1N HR31846 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.15 COC1=NC=CC=C1Br HR129848 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.15 COC1=NC=CC=C1Cl HR109358 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.15 COC1=NC=CC=C1I HR6586 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.15 COC1=NC=CC=C1N HR136977 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.15 COC1=NC=CC=C1O HR152722 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.15 COC1=NC=CN=C1C HR127850 [2,0,0,0,0,0|0,0,0]=2 101 B9R1.15 COC1=NC=CN=C1C HR138330 [2,0,0,0,0,0|0,0,0]=2 102 B9R1.15 COC1=NC=CN=C1Cl HR142320 [2,0,0,0,0,0|1,0,0]=3 103 B9R1.15 COC1=NC=CN=C1N HR30399 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.15 CSC1=NC=CN=C1C HR123098 [2,0,0,0,0,0|0,1,0]=3 105 B9R1.15 ClCC1=NC=CN=C1Cl HR148180 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.15 NCC1=NC=CC=C1O HR33759 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.15 NCC1=NC=CN=C1Cl HR104573 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.15 NCC1=NC=CN=C1Cl HR113742 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.15 NCc1cccnc1O HR113504 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.15 NCc1nccnc1Cl ACSA02502 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.15 OCC1=NC=CC=C1O HR4075 [2,0,0,0,0,0|2,0,0]=4 112 B11R1.13 CCOC1=NC=CC(I)=C1Cl HR155973 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.13 CCOC1=NC=CC(O)=C1Cl HR155889 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.17 COCOC1=C(C)C=CC=C1 HR155307 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.81 CCOC1=C(C)C=C(Br)C=C1 HR153650 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.81 CCOC1=C(C)N=C(N)C=C1 HR33538 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.81 CCOC1=C(F)C=C(N)C=N1 HR146827 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.81 CCOC1=CC=C(Br)N=C1C HR155559 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.81 CCOC1=CC=C(C)N=C1F HR152731 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.81 CCOC1=CC=C(Cl)N=C1Cl HR152971 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.81 CCOC1=NC=C(Br)C=C1Br HR152593 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.81 CCOC1=NC=C(Br)C=C1C HR152548 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.81 CCOC1=NC=C(Br)C=C1I HR152536 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.81 CCOC1=NC=C(Cl)C=C1Br HR155751 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.81 CCOC1=NC=C(Cl)C=C1I HR156292 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.86 CC(C)OC1=CC=CN=C1F HR152950 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.86 CC(C)OC1=NC=CC=C1Br HR152619 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.86 CC(C)OC1=NC=CC=C1Cl HR152635 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.86 CC1=NC=CN=C1CC(C)C HR133904 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.182 CCNC1=NC(Br)=CN=C1N HR147248 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.182 CCOC1=C(Br)N=CC(N)=C1 HR120977 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.182 CCOC1=CC(Br)=CN=C1F HR152856 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.182 CCOC1=NC(Br)=CN=C1N HR147249 [1,1,0,0,0,0|1,0,0]=3 134 B11R1.182 CCOc1cc(Br)ccc1C HR153440 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 HR154891 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.37 CCC1=NC=C(C)N=C1CC HR128596 [1,1,0,0,0,0|0,0,0]=2 137 B11R1.37 COC1=C(OC)N=C(N)C=C1 HR115522 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.37 COC1=C(OC)N=CC(N)=C1 HR121612 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.37 COC1=CC(Br)=CN=C1OC HR152614 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.37 COC1=NC=C(Br)C=C1CO HR33652 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.37 COC1=NC=C(Br)N=C1OC HR148666 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.37 COC1=NC=C(Cl)C=C1CO HR153114 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.53 CCC1=NC=CN=C1C(C)=O HR129395 [1,1,0,0,0,0|0,0,1]=3 144 B11R1.53 COC1=C(C(C)C)C=CC=C1 HR155278 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.53 COC1=C(C(C)N)C=CC=C1 HR108714 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.53 COC1=C(C(C)N)C=CC=C1 HR109031 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.53 COC1=NC=CC=C1C(C)=O HR30289 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.53 COC1=NC=CN=C1C(=O)O HR30403 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.53 COC1=NC=CN=C1C(C)C HR126574 [1,1,0,0,0,0|0,0,0]=2 150 B13R1.51 CC(C)OC1=NC=C(Br)C=C1CO HR153092 [0,2,0,0,0,0|2,0,0]=4 151 B13R1.51 CC(C)OC1=NC=C(Cl)C=C1CO HR156270 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.382 CCOC1=NC=CC=C1C(=O)OC HR153111 [0,2,0,0,0,0|1,0,1]=4 153 B13R1.464 CCOC(=O)C1=C(OC)N=CC=C1 HR153109 [0,2,0,0,0,0|2,0,0]=4 154 B13R1.1248 CCOC1=C(OCC)C=C(N)C=C1 HR103954 [0,2,0,0,0,0|2,0,0]=4 155 B13R1.1249 CCOC1=C(CC)C=C(C=O)C=C1 HR156005 [0,2,0,0,0,0|2,0,0]=4 156 B13R1.1249 CCOC1=C(CC)C=C(CO)C=C1 HR156004 [0,2,0,0,0,0|2,0,0]=4 157 B13R1.485 CCOC1=C(OCCBr)C=CC=C1 HR130555 [0,2,0,0,0,0|2,0,0]=4 158 B13R1.485 CCOC1=C(OCCN)C=CC=C1 HR143324 [0,2,0,0,0,0|2,0,0]=4 159 B13R1.485 CCOC1=NC=CC=C1OCCO HR110896 [0,2,0,0,0,0|1,0,0]=3 160 B13R1.572 COCOC1=C(C(C)C)C=CC=C1 HR155213 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.199 CCOC(=O)C1=NC=CN1C HR112211 [0,0,1,1,0,0|2,0,0]=4 162 B11R1.192 CCOC1=NC=C(Br)C(C)=C1 HR152583 [0,0,1,1,0,0|1,0,1]=4 163 B11R2.10 CC1CC2=C(C=CC=C2)O1 HR103036 [1,0,0,1,0,0|2,0,0]=4 164 B11R2.20 C1=CC2=C(CCCC2)N=C1 HR5891 [1,0,0,1,0,0|2,0,0]=4 165 B11R2.20 C1=CN=C2OCCOC2=C1 HR115317 [1,0,0,1,0,0|2,0,0]=4 166 B11R2.20 C1=NC2=C(CCCC2)N=C1 HR125432 [1,0,0,1,0,0|1,0,0]=3 167 B11R2.55 CC1=NC=CC=C1C2CC2 HR153024 [1,0,0,1,0,0|2,0,0]=4 168 B11R2.1 CC1CCC2=NC=CN=C21 HR126840 [1,0,0,1,0,0|0,0,0]=2 169 B11R2.1 NC1CCC2=CC=CN=C21 HR116980 [1,0,0,1,0,0|2,0,0]=4 170 B11R2.1 NC1CCC2=CC=CN=C21 HR117613 [1,0,0,1,0,0|2,0,0]=4 171 B11R2.1 NC1CCC2=NC=CC=C21 HR118244 [1,0,0,1,0,0|2,0,0]=4 172 B11R2.1 NC1COC2=NC=CC=C21 HR33721 [1,0,0,1,0,0|2,0,0]=4 173 B11R2.1 OC1CCC2=CC=CN=C21 HR117300 [1,0,0,1,0,0|2,0,0]=4 174 B11R2.1 OC1CCC2=CC=CN=C21 HR117929 [1,0,0,1,0,0|2,0,0]=4 175 B11R2.1 OC1COC2=NC=CC=C21 HR120895 [1,0,0,1,0,0|2,0,0]=4 176 B13R2.57 BrCC1CCC2=CC=CC=C2O1 HR108939 [0,1,0,1,0,0|2,0,0]=4 177 B13R2.57 NCC1CCC2=C(C=CC=C2)O1 HR145894 [0,1,0,1,0,0|2,0,0]=4 178 B13R2.57 OCC1CCC2=CC=CC=C2O1 HR104367 [0,1,0,1,0,0|2,0,0]=4 179 B13R2.292 NCCC1=CC=CC2=C1OCC2 HR145947 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.33 CCOC1=C(C)N=CO1 HR8651 [1,0,0,0,1,0|1,0,0]=3