0 B10R1.10 CC1=CC=CC(CC#N)=C1 1287074 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.10 CC1=CC=CC(N=C=O)=C1 1055564 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.10 CCNC1=CC=CC(C)=C1 1220439 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.10 CNCC1=CC(O)=CC=C1 1268164 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.10 CNCC1=CC=CC(O)=C1 3644490 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.10 CSCC1=CC(O)=CC=C1 7575917 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.10 C\N=C\C1=CC=CC(O)=C1 3644500 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.10 FC1=CC=CC(N=C=S)=C1 1055710 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.10 N#CCC1=CC=CC(Cl)=C1 1519438 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.10 NCCC1=CC(Br)=CC=C1 1786240 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.10 NCCC1=CC(Cl)=CC=C1 1038630 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 1051738 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.10 O=CNC1=CC(Cl)=CC=C1 12154920 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.2 CC1=CC(C#N)=CC=C1 1901689 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.2 CC1=CC=CC(C=O)=C1 1901706 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.2 CC1=CC=CC(CCl)=C1 2048752 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 CC1=CC=CC(CN)=C1 1038610 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.2 CCC1=CC(O)=CC=C1 2826182 [1,0,0,0,0,0|0,0,0]=1 19 B9R1.2 CNC1=CC(O)=CC=C1 2225858 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.2 COC1=CC(N)=CC=C1 1314579 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 COC1=CC=CC(Br)=C1 1287416 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.2 COC1=CC=CC(O)=C1 1366571 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.2 CSC1=NC=CC(O)=N1 3667578 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 ClCC1=CC(Cl)=CC=C1 2048847 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.2 FC1=CC(CCl)=CC=C1 2048769 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.2 N#CC1=CC(N)=CC=C1 2826072 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.2 N#CC1=CC=CC(Br)=C1 1903842 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.2 N#CC1=CC=CC(Cl)=C1 1901869 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.2 N#CC1=CC=CC(F)=C1 1901710 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.2 NCC1=CC=CC(N)=C1 6922927 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.2 NNC1=CC(Cl)=CC=C1 1156640 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.2 NNC1=CC(Cl)=CC=C1 3585957 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.2 NNC1=NC(Cl)=CC=C1 2653334 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.2 O=CC1=CC(Br)=CC=C1 1904103 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.2 O=CC1=CC(O)=CC=C1 2826165 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.2 O=CC1=CC=CC(Cl)=C1 1901924 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.2 O=CC1=CC=CC(F)=C1 1901720 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 BrCCC1=CC=CC=C1 2889217 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 CCCC1=CC=CC=C1 2826136 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 CCNC1=CC=CC=C1 1220427 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 CCOC1=CC=CC=C1 2826174 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CNCC1=CC=CC=C1 1268163 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 ClCCC1=CC=CC=C1 2827551 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 N#CCC1=CC=CC=C1 1519434 [1,0,0,0,0,0|0,0,2]=3 45 B9R1.8 N#CCC1=NC=CC=C1 1287098 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.8 NCCC1=CC=CC=C1 1038619 [1,0,0,0,0,0|0,0,0]=1 47 B9R1.8 NNCC1=CC=CC=C1 1972969 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.8 O=C=NC1=CC=CC=C1 1051736 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 O=CCC1=CC=CC=C1 1204419 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.8 O=CNC1=CC=CC=C1 2826151 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 OCCC1=CC=CC=C1 1204382 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 OCCC1=CC=CC=N1 1204379 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 7119846921 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.23 COC(=O)C1=CC=CC(O)=C1 971220 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.23 NC(CO)C1=CC(Br)=CC=C1 1792542 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 2237611 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 1055870 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.23 NNC(=O)C1=CC(Cl)=CC=C1 0125160195 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 7119920344 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.23 N\C(=N/O)C1=CC(O)=CC=C1 2424046 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.23 O=C(CBr)C1=CC=CC(Cl)=C1 3145804 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.24 CC1=CC(OCC#N)=CC=C1 7020687451 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.24 CC1=CC(OCCBr)=CC=C1 7110952512 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.24 CC1=CC(OCCN)=CC=C1 7020330517 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.24 CC1=CC=CC(CCC#N)=C1 1512385 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.24 CC1=CC=CC(CCCN)=C1 1038709 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.24 CCCOC1=CC=CC(N)=C1 1285059 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.24 N#CCCC1=CC=CC(Cl)=C1 1512409 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.24 NC1=CC=CC(OCCO)=C1 7110952747 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.24 NCCCC1=CC(O)=CC=C1 1271094 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.24 NCCCC1=CC=CC(Cl)=C1 1038718 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.24 NCCNC1=CC(Cl)=CC=C1 1142656 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 3679685 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 1056056 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 1014712 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.157 CC(C)CC1=CC=CC(N)=C1 1366801 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 1287089 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 0104540045 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.157 CN(C)CC1=CC(O)=CC=C1 3669154 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.157 NC(=S)NC1=CC=CC(O)=C1 1001124 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 2024108 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.157 O=C(O)CC1=CC(O)=NC=C1 11186508 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.182 C=CCC1=CC(Cl)=CC=C1O 1392641 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.182 CCOC1=CC(Br)=CC=C1O 7020688452 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.189 CCOC1=CC=CC(C=O)=C1 7020401738 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.189 CNCC1=CC(OC)=CC=C1 1268217 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.189 COC1=CC=CC(CC#N)=C1 1287078 [0,1,0,0,0,0|0,0,2]=3 89 B11R1.189 COC1=CC=CC(N=C=O)=C1 1055589 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 3353953 [0,1,0,0,0,0|0,0,2]=3 91 B11R1.192 N#CCC1=CC=C(N)C(N)=C1 15296962 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.192 NCCC1=CC=C(N)C(N)=C1 1510025 [0,1,0,0,0,0|1,0,0]=2 93 B11R2.36 BrC1=CC2=C(C=C1)NCC2 1362067 [0,0,0,1,0,0|1,0,0]=2 94 B11R2.36 BrC1=CC2=C(C=C1)NN=C2 2963034 [0,0,0,1,0,0|2,0,1]=4 95 B11R2.36 BrC1=CC=C2NC=CC2=C1 1270760 [0,0,0,1,0,0|1,0,2]=4 96 B11R2.36 CC1=CC=C2NC=NC2=C1 1435596 [0,0,0,1,0,0|2,0,1]=4 97 B11R2.36 CC1=CC=C2NN=CC2=C1 3488470 [0,0,0,1,0,0|2,0,1]=4 98 B11R2.36 NC1=CC=C2NC=CC2=C1 2204771 [0,0,0,1,0,0|1,0,2]=4 99 B11R2.36 NC1=CC=C2NN=CC2=C1 2630848 [0,0,0,1,0,0|2,0,1]=4 100 B11R2.36 NC1=CC=C2OCOC2=C1 1507627 [0,0,0,1,0,0|3,0,0]=4 101 B11R2.36 OC1=CC=C2N=CNC2=C1 1088557 [0,0,0,1,0,0|1,0,2]=4 102 B11R2.36 OC1=CC=C2NC=NC2=C1 1088558 [0,0,0,1,0,0|1,0,1]=3 103 B11R2.36 OC1=CC=C2OC=NC2=C1 2085770 [0,0,0,1,0,0|2,0,1]=4 104 B11R2.36 OC1=CC=C2OCOC2=C1 1507629 [0,0,0,1,0,0|2,0,0]=3 105 B11R2.106 CC1=C2NN=CC2=CC=C1 5052268 [0,0,0,1,0,0|2,0,1]=4 106 B11R2.106 ClC1=C2NC=CC2=CC=C1 4061562 [0,0,0,1,0,0|1,0,2]=4 107 B11R2.106 NC1=C2COCC2=CC=C1 3666344 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.7 CC1=CC(CCN)=NO1 1150833 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.7 CC1=CN=C(CCN)O1 1036144 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.7 CC1=CN=C(CCN)S1 7020542828 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.7 CC1=CSC(CCN)=N1 15298383 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.7 CC1=CSC(CCN)=N1 7018890479 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.7 CC1=CSC(CCN)=N1 7110952733 [0,0,0,0,1,0|3,0,0]=4 114 B9R1.7 CC1=NC(CCN)=CN1 1202296 [0,0,0,0,1,0|3,0,0]=4 115 B9R1.7 CC1=NC(CCN)=CS1 7020410123 [0,0,0,0,1,0|3,0,0]=4 116 B9R1.7 CC1=NC(CCN)=CS1 7110950887 [0,0,0,0,1,0|3,0,0]=4 117 B9R1.7 CN1C=NC(CCN)=C1 3514215 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.7 NCCC1=CC(Cl)=CS1 11639058 [0,0,0,0,1,0|2,0,0]=3 119 B9R1.33 CC1=NC=CN1CCN 7138653 [0,0,0,0,1,0|3,0,0]=4 120 B9R1.33 CN1C=NC=C1CCN 6850082 [0,0,0,0,1,0|3,0,0]=4 121 B9R1.33 NCCC1=C(Br)N=CN1 6095770 [0,0,0,0,1,0|3,0,0]=4 122 B8R1.2 BrCC1=CC=CC=C1 2844339 [2,0,0,0,0,0|1,0,0]=3 123 B8R1.2 CCC1=CC=CC=C1 2825676 [2,0,0,0,0,0|0,0,0]=2 124 B8R1.2 CNC1=CC=CC=C1 1366528 [2,0,0,0,0,0|1,0,0]=3 125 B8R1.2 COC1=CC=CC=C1 2825706 [2,0,0,0,0,0|1,0,0]=3 126 B8R1.2 CSC1=CC=CC=C1 2826254 [2,0,0,0,0,0|1,0,0]=3 127 B8R1.2 ClCC1=CC=CC=C1 1778716 [2,0,0,0,0,0|1,0,0]=3 128 B8R1.2 N#CC1=CC=CC=C1 1778585 [2,0,0,0,0,0|0,0,2]=4 129 B8R1.2 NCC1=CC=CC=C1 1038608 [2,0,0,0,0,0|0,0,0]=2 130 B8R1.2 NCC1=CC=CC=C1 6057147 [2,0,0,0,0,0|0,0,0]=2 131 B8R1.2 NCC1=CC=CN=C1 1038606 [2,0,0,0,0,0|1,0,0]=3 132 B8R1.2 NCC1=CC=NC=C1 1038607 [2,0,0,0,0,0|1,0,0]=3 133 B8R1.2 NNC1=CC=CC=C1 1156632 [2,0,0,0,0,0|1,0,0]=3 134 B8R1.2 NNC1=CC=CC=C1 6057168 [2,0,0,0,0,0|1,0,0]=3 135 B8R1.2 NNC1=NC=CC=C1 1060375 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 O=CC1=CC=CC=C1 988591 [2,0,0,0,0,0|1,0,1]=4 137 B8R1.2 OCC1=CC=CC=C1 1778593 [2,0,0,0,0,0|1,0,0]=3 138 B8R1.2 SCC1=CC=CC=C1 1972971 [2,0,0,0,0,0|1,0,0]=3 139 B8R1.4 CC1=CC(=O)NC=C1 1445642 [2,0,0,0,0,0|1,0,1]=4 140 B8R1.4 CC1=CC(C)=NC=C1 2825693 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.4 CC1=CC(Cl)=NC=C1 22430560 [2,0,0,0,0,0|2,0,0]=4 142 B8R1.4 CC1=CC(N)=CC=N1 1496346 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.4 CC1=CC(N)=CC=N1 1500240 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.4 CC1=CC(O)=CC=C1 2825708 [2,0,0,0,0,0|0,0,0]=2 145 B8R1.4 CC1=CC=CC(Br)=C1 1287409 [2,0,0,0,0,0|1,0,0]=3 146 B8R1.4 CC1=CC=CC(C)=C1 2825677 [2,0,0,0,0,0|1,0,0]=3 147 B8R1.4 CC1=CC=CC(C)=N1 2825696 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.4 CC1=CC=CC(Cl)=C1 2826369 [2,0,0,0,0,0|1,0,0]=3 149 B8R1.4 CC1=CC=CC(N)=C1 3585811 [2,0,0,0,0,0|1,0,0]=3 150 B8R1.4 CC1=CC=CC(N)=N1 2825715 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.4 CC1=CC=NC(N)=C1 7015122364 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.4 CC1=CC=NC(O)=N1 3353962 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.4 CC1=CN=CC(Br)=C1 22430615 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.4 CC1=CN=CC(C)=C1 6057011 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.4 CC1=C[N+]([O-])=CC=C1 2825733 [2,0,0,0,0,0|1,0,1]=4 156 B8R1.4 CC1=NC=NC(O)=C1 3354285 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.4 ClC1=CC=CC(Br)=C1 1287418 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.4 ClC1=CC=CC(Cl)=C1 2828765 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.4 FC1=CC=CC(Br)=C1 1903198 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.4 FC1=CC=CC(F)=C1 2825886 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.4 NC1=CC(Br)=CC=C1 1362075 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.4 NC1=CC(Br)=NC=C1 7216640154 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.4 NC1=CC(Cl)=CC=C1 2826459 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.4 NC1=CC(F)=CC=C1 2825774 [2,0,0,0,0,0|1,0,0]=3 165 B8R1.4 NC1=CC(O)=CC=C1 1106784 [2,0,0,0,0,0|0,0,0]=2 166 B8R1.4 NC1=CC=CC(N)=C1 1972927 [2,0,0,0,0,0|1,0,0]=3 167 B8R1.4 NC1=CC=CC(N)=N1 2825734 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.4 NC1=NC(Br)=CC=C1 2213493 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.4 NC1=NC(Cl)=CC=C1 3665787 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.4 NC1=NC=CC(Br)=C1 7110952492 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.4 NC1=NC=CC(Cl)=C1 7110952557 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.4 OC1=CC(Br)=CC=C1 1287431 [2,0,0,0,0,0|1,0,0]=3 173 B8R1.4 OC1=CC(Cl)=CC=C1 2826548 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.4 OC1=CC(F)=CC=C1 2825801 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.4 OC1=CC=CC(O)=C1 2825748 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.2 CC1=C(NN)C=CC=C1Cl 1366953 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.2 CCC1=C(N)C(C)=CC=C1 2827065 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.2 OCC1=CC=CC(F)=C1Br 6956894 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.8 COC1=CC(C)=CC(C)=C1 6329884 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.8 OCC1=CC(Cl)=CC(Cl)=C1 2049055 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.30 CCC1=CC(Br)=CC=C1O 7020688456 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.30 COC1=C(C)C=CC(F)=C1 5042942 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.30 COC1=C(N)C=CC(C)=C1 1366673 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.30 COC1=C(O)C=CC(C)=C1 2827243 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.30 COC1=CC(N)=CC=C1Cl 1902326 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.30 CSC1=CC(O)=CC=C1N 6641948 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 1287349 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 1287348 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.113 CC(=O)C1=CC(N)=CC=C1 1366640 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.113 CC(=O)C1=CC=CC(O)=C1 1901859 [1,1,0,0,0,0|0,0,1]=3 191 B10R1.113 CC(C)C1=CC=CC(O)=C1 2827127 [1,1,0,0,0,0|0,0,0]=2 192 B10R1.113 CC1=CC=CC(C(=N)N)=C1 5012379 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.113 CC1=CC=CC(C(N)=O)=C1 1375208 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.113 CN(C)C1=CC=CC(Br)=C1 1287426 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.113 CN(C)C1=CC=CC(N)=C1 1232815 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 1375257 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.113 O=C(O)C1=CC=CC(O)=C1 2827221 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 2827328 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.172 COC1=CC=CC(C#N)=C1 1778846 [1,1,0,0,0,0|0,0,2]=4 200 B10R1.172 COC1=CC=CC(C=O)=C1 1180630 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.172 COC1=CC=CC(CCl)=C1 1779497 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.172 COC1=CC=CC(OC)=C1 2827240 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.172 COC1=CC=CC(OC)=N1 4787341 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.172 N#CC1=CC(CS)=CC=C1 2117223 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.172 N#CC1=CC=CC(CCl)=C1 2829305 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.172 NCC1=CC=CC(CN)=C1 2827131 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.176 CCC1=CC=C(C)C(N)=C1 1366642 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.176 COC1=CC(Br)=C(O)C=C1 7020688436 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.176 COC1=CC(C)=C(C)C=C1 6849604 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.176 COC1=CC(C)=C(N)C=C1 6923470 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.176 COC1=CC(N)=C(C)C=C1 6923476 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.176 COC1=CC=C(N)C(C)=C1 1366675 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.176 COC1=CC=C(N)C(N)=C1 1197694 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 2049522 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.176 NCC1=CC(F)=C(F)C=C1 2048759 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.176 NNC1=CC(Cl)=C(Cl)C=C1 3676282 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.176 O=CC1=CC=C(O)C(O)=C1 7015151002 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.1 CC1=CC=C(CC#N)C=C1 1287072 [1,1,0,0,0,0|0,0,2]=4 219 B10R1.1 CC1=CC=C(CCCl)C=C1 1277178 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.1 CC1=CC=C(CCN)C=C1 1038622 [1,1,0,0,0,0|0,0,0]=2 221 B10R1.1 CCCC1=CC=C(O)C=C1 2818223 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.1 CCOC1=CC=C(N)C=C1 1314575 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.1 CCOC1=CC=C(O)C=C1 1506720 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.1 N#CCC1=CC=C(Br)C=C1 1287071 [1,1,0,0,0,0|0,0,2]=4 225 B10R1.1 N#CCC1=CC=C(Cl)C=C1 1519435 [1,1,0,0,0,0|0,0,2]=4 226 B10R1.1 N#CCC1=CC=C(F)C=C1 1519437 [1,1,0,0,0,0|0,0,2]=4 227 B10R1.1 NCCC1=CC=C(F)C=C1 1038624 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.1 NCCC1=CC=C(O)C=C1 3463715 [1,1,0,0,0,0|0,0,0]=2 229 B10R1.1 OCCC1=CC=C(Br)C=C1 1204413 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.4 C=CCC1=C(O)C=CC=C1 2827010 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.4 CC1=CC=CC=C1CC#N 1287073 [1,1,0,0,0,0|0,0,2]=4 232 B10R1.4 CCOC1=C(O)C=CC=C1 2827244 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.4 CCOC1=CC=CC=C1N 1314577 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.4 N#CCC1=C(F)C=CC=C1 1519443 [1,1,0,0,0,0|0,0,2]=4 235 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [1,1,0,0,0,0|0,0,0]=2 236 B10R1.4 NCCC1=CC=CC=C1F 6051017 [1,1,0,0,0,0|0,0,0]=2 237 B10R1.15 CC(C#N)C1=CC=CC=C1 1204062 [1,1,0,0,0,0|0,0,2]=4 238 B10R1.15 CC(CN)C1=NC=CC=C1 1883428 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.15 CC(NO)C1=CC=CC=C1 1204024 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.15 CCC(=O)C1=CC=CC=C1 1043816 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.15 NCC(=O)C1=CC=CC=C1 1042947 [1,1,0,0,0,0|0,0,1]=3 244 B10R1.15 NNC(=O)C1=CC=CC=C1 1778868 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.15 O=C(CBr)C1=CC=CC=C1 2125402 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.15 OC(CCl)C1=CC=CC=C1 1500436 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.17 CCCCC1=CC=CC=C1 2827024 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.17 CCNCC1=CC=CC=C1 1366645 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.17 CNCCC1=CC=NC=C1 7020420399 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.17 CNCCC1=NC=CC=C1 4347309 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.17 ClC\C=C\C1=CC=CC=C1 5970146 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [1,1,0,0,0,0|0,0,1]=3 255 B10R1.17 N#CCCC1=NC=CC=C1 1973037 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.17 N#CCOC1=CC=CC=C1 7020402308 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.17 N=C=[SH]CC1=CC=CC=C1 22430371 [1,1,0,0,0,0|0,0,2]=4 258 B10R1.17 NCCCC1=CC=CN=C1 1038705 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.17 NCCNC1=NC=CC=N1 15298417 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.17 NCCSC1=CC=CC=C1 6137840 [1,1,0,0,0,0|0,0,0]=2 262 B10R1.17 NNCCC1=CC=CC=C1 9080668 [1,1,0,0,0,0|0,0,0]=2 263 B10R1.17 O=C=NCC1=CC=CC=C1 1055530 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.17 OCCNC1=CC=CC=C1 1866520 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.17 OCCOC1=CC=CC=C1 1275759 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.17 SCCOC1=CC=CC=C1 1310591 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 2818083 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.18 CC(C)NC1=CC=CC=C1 1220423 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.18 CN(C)CC1=CC=CC=C1 2827061 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.18 FC(F)SC1=CC=CC=C1 1779696 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.18 NC(=O)NC1=CC=CC=C1 1778870 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.18 NC(=S)CC1=CC=CC=C1 7018890438 [1,1,0,0,0,0|0,0,1]=3 274 B10R1.18 NC(=S)NC1=CC=CC=C1 1001333 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.18 O=C(Cl)CC1=CC=CC=C1 1051728 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.18 O=C(O)CC1=CC=CC=C1 1500423 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.25 NCCCC1=CC=CC(F)=C1Br 5835123 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.280 C=CCC1=CC=CC(OC)=C1O 7118560687 [0,2,0,0,0,0|1,0,1]=4 279 B12R1.10 CC(C)(CN)C1=CC(Cl)=CC=C1 1033195 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.13 CCN(CC)C1=CC(O)=CC=C1 2833226 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.17 CCOC(=O)C1=CC=CC(O)=C1 973252 [0,2,0,0,0,0|1,0,1]=4 282 B12R1.17 CNCC(O)C1=CC(Cl)=CC=C1 1055898 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 7133118 [0,2,0,0,0,0|0,0,0]=2 284 B12R1.354 CCC(O)C1=C(C)C=CC(Br)=C1 12481902 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.367 NCC(=O)C1=CC(Cl)=C(Cl)C=C1 6595014 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 2930095 [0,2,0,0,0,0|1,0,1]=4 287 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 11185346 [0,2,0,0,0,0|0,0,1]=3 288 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 2125400 [0,2,0,0,0,0|1,0,1]=4 289 B12R1.435 COC1=CC=CC(C(O)CN)=C1 1055867 [0,2,0,0,0,0|0,0,0]=2 290 B12R1.28 CC1=CC(OCCC#N)=CC=C1 1519471 [0,2,0,0,0,0|1,0,1]=4 291 B12R1.28 CC1=CC=CC(OCCCBr)=C1 7110952518 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.28 COCCOC1=CC=CC(O)=C1 1367379 [0,2,0,0,0,0|1,0,0]=3 293 B12R1.28 N#CCCOC1=CC=CC(Br)=C1 3112175 [0,2,0,0,0,0|1,0,1]=4 294 B12R1.28 NCCCCC1=CC(Cl)=CC=C1 1038749 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.50 CC1=CC(OC(=O)CN)=CC=C1 1902648 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.50 CC1=CC=CC(NC(=O)CN)=C1 7020691551 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 0104820393 [0,2,0,0,0,0|1,0,1]=4 298 B12R1.50 N\C(CC1=CC(Br)=CC=C1)=N/O 7006516 [0,2,0,0,0,0|1,0,1]=4 299 B12R1.100 CC1=CC(C)=CC(OCCN)=C1 7020330477 [0,2,0,0,0,0|1,0,0]=3 300 B12R1.226 CC(=O)CCC1=CC(Cl)=CC=C1 1974704 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 2269335 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.226 CC(C)OCC1=CC=CC(O)=C1 7801647 [0,2,0,0,0,0|1,0,0]=3 303 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 2084084 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 7020400394 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 1310637 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 7020400392 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.374 NCCCN1C=C(Cl)C=CC1=O 1324660 [0,2,0,0,0,0|2,0,0]=4 308 B12R1.382 CCCOC1=CC=CC(C=O)=C1 7020401739 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.382 COC1=CC(CCC#N)=CC=C1 1512397 [0,2,0,0,0,0|0,0,1]=3 310 B12R1.382 COC1=CC(OCCN)=CC=C1 7020330483 [0,2,0,0,0,0|0,0,0]=2 311 B12R1.382 COC1=CC=CC(CCCBr)=C1 1275160 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.382 COC1=CC=CC(CCCN)=C1 1038715 [0,2,0,0,0,0|0,0,0]=2 313 B12R1.382 COC1=CC=CC(CCCO)=C1 1204353 [0,2,0,0,0,0|1,0,0]=3 314 B12R1.382 COC1=CC=CC(OCC#N)=C1 7020687422 [0,2,0,0,0,0|0,0,2]=4 315 B12R1.385 NCCNC1=CC(Cl)=C(F)C=C1 1142667 [0,2,0,0,0,0|1,0,0]=3 316 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 12482597 [0,2,0,0,0,0|1,0,1]=4 317 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 22588261 [0,2,0,0,0,0|0,0,1]=3 318 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 7020330567 [0,2,0,0,0,0|1,0,1]=4 319 B12R1.270 C=CCC1=C(O)C=CC(OC)=C1 1392493 [0,2,0,0,0,0|1,0,1]=4 320 B12R1.1123 CC1=CC(O)=C(O)C=C1CCN 4675078 [0,2,0,0,0,0|0,0,0]=2 321 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 7020610965 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.288 COC1=C(F)C=C(CCO)C=C1 1780413 [0,2,0,0,0,0|2,0,0]=4 323 B10R2.6 C1=CC=C(C2CN2)C=C1 4194135 [1,0,0,1,0,0|0,0,0]=2 324 B10R2.6 C1=CC=C(C2CO2)C=C1 1205184 [1,0,0,1,0,0|1,0,0]=3 325 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [1,0,0,1,0,0|0,0,0]=2 326 B10R2.7 C1=CC2=C(C=C1)OCC2 2826125 [1,0,0,1,0,0|1,0,0]=3 327 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [1,0,0,1,0,0|1,0,0]=3 328 B10R2.7 C1=CC=C2CNCC2=C1 2087229 [1,0,0,1,0,0|2,0,0]=4 329 B10R2.7 C1=CC=C2NC=CC2=C1 2826038 [1,0,0,1,0,0|0,0,2]=4 330 B10R2.7 C1=CC=C2NC=NC2=C1 1234652 [1,0,0,1,0,0|1,0,1]=4 331 B10R2.7 C1=CC=C2NN=CC2=C1 1435639 [1,0,0,1,0,0|1,0,1]=4 332 B10R2.7 C1=CC=C2NN=NC2=C1 2030889 [1,0,0,1,0,0|2,0,0]=4 333 B10R2.7 C1=CC=C2OCOC2=C1 2826166 [1,0,0,1,0,0|2,0,0]=4 334 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 1367372 [0,1,0,1,0,0|1,0,1]=4 335 B12R2.1081 NC1=C2NCCCC2=CC=C1 1055742 [0,1,0,1,0,0|1,0,0]=3 336 B12R2.1081 OC1=C2CCCCC2=CC=C1 2819875 [0,1,0,1,0,0|1,0,0]=3 337 B12R2.132 OC1CCC2=CC=C(Cl)C=C21 1202612 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.196 O=C1CCC2=C(O)C=CC=C12 2828882 [0,1,0,1,0,0|1,0,1]=4 339 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 1059363 [0,1,0,1,0,0|2,0,0]=4 340 B12R2.24 CC1=CC=C2OCCOC2=C1 7139388 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.24 FC1=CC2=C(C=C1)OCCO2 6641921 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.24 NC1=CC=C2CCCNC2=C1 1202146 [0,1,0,1,0,0|2,0,0]=4 343 B12R2.24 NC1=CC=C2CCNCC2=C1 6641961 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.24 NC1=CC=C2NCCCC2=C1 1202147 [0,1,0,1,0,0|1,0,0]=3 345 B12R2.24 OC1=CC=C2CCCCC2=C1 1507475 [0,1,0,1,0,0|1,0,0]=3 346 B12R2.612 O=C1COC2=CC(O)=CC=C12 7014000096 [0,1,0,1,0,0|1,0,1]=4 347 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 3668396 [0,1,0,1,0,0|0,0,2]=4 348 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 7020694178 [0,1,0,1,0,0|1,0,1]=4 349 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 1371374 [0,1,0,1,0,0|1,0,1]=4 350 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 1392635 [0,1,0,1,0,0|0,0,1]=3 351 B12R2.44 COC1=CC=C2NC=CC2=C1 1270757 [0,1,0,1,0,0|0,0,2]=4 352 B12R2.44 COC1=CC=C2NC=NC2=C1 1088556 [0,1,0,1,0,0|1,0,1]=4 353 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 2653591 [0,1,0,1,0,0|1,0,1]=4 354 B12R2.44 OCC1=CC2=C(C=C1)OCO2 1779306 [0,1,0,1,0,0|2,0,0]=4 355 B12R2.315 COC1=CC=CC2=C1NC=C2 4247506 [0,1,0,1,0,0|0,0,2]=4 356 B8R1.1 NCC1=CC(Cl)=CS1 11639171 [1,0,0,0,1,0|2,0,0]=4 357 B8R1.8 NCCC1=CN=CN1 2816948 [1,0,0,0,1,0|2,0,0]=4 358 B8R1.8 NCCC1=CN=CN1 5662517 [1,0,0,0,1,0|2,0,0]=4 359 B8R1.8 NCCC1=CNC=N1 3354315 [1,0,0,0,1,0|2,0,0]=4 360 B8R1.8 NCCC1=CNC=N1 4434673 [1,0,0,0,1,0|2,0,0]=4 361 B8R1.8 NCCC1=CSC=N1 7020691339 [1,0,0,0,1,0|2,0,0]=4 362 B8R1.8 NCCC1=NC=CS1 1059793 [1,0,0,0,1,0|2,0,0]=4 363 B8R1.8 NCCC1=NC=CS1 3851317 [1,0,0,0,1,0|2,0,0]=4 364 B8R1.8 NCCN1C=CC=C1 1048773 [1,0,0,0,1,0|1,0,0]=3 365 B8R1.8 NCCN1C=CC=C1 8916334 [1,0,0,0,1,0|1,0,0]=3 366 B8R1.8 NCCN1C=CC=N1 7138650 [1,0,0,0,1,0|2,0,0]=4 367 B8R1.8 NCCN1C=CN=C1 7138652 [1,0,0,0,1,0|2,0,0]=4 368 B8R1.8 OCCC1=CC=CS1 22430596 [1,0,0,0,1,0|2,0,0]=4