0 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 CS22339 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.286 COC1=C(F)C=CC(CC#N)=C1 MC40775 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC437967 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC443853 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.189 C=CCC1=CC=CC(OC)=C1 MC425775 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 COC1=CC=CC(CC#N)=C1 CS11040 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.189 COC1=CC=CC(CCN)=C1 CS13916 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.189 COC1=CC=CC(CCO)=C1 CS22342 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.189 N#CC1=CC(CCO)=CC=C1 MC431317 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.189 NCC1=CC=CC(CCO)=C1 CS17053 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.192 CC1=C(F)C=CC(CC#N)=C1 MC40778 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.192 NCCC1=CC(Cl)=C(Cl)C=C1 CS21933 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.192 NCCC1=CC=C(O)C(O)=C1 CS15345 [1,0,0,0,0,0|0,0,0]=1 13 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 CS21932 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.192 OCCC1=CC(F)=C(F)C=C1 MC33101 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 CS21640 [1,0,0,0,0,0|0,0,2]=3 16 B11R1.280 CCC1=C(F)C=CC(CN)=C1 MC111150 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 MC441223 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 MC30328 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.280 COC1=C(Br)C=CC(CO)=C1 CS21375 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.280 COC1=C(C)C=CC(C#N)=C1 CS22338 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.280 COC1=C(C)C=CC(C=O)=C1 CS21938 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.280 COC1=C(C)C=CC(CN)=C1 MC111182 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 CS15135 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 MC40533 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 MC40809 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 CS17422 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.280 COC1=C(F)C=CC(C#N)=C1 MC30271 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.280 COC1=C(F)C=CC(C=O)=C1 MC429581 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.280 COC1=C(F)C=CC(CBr)=C1 MC429580 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.280 COC1=C(F)C=CC(CN)=C1 MC433899 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.280 COC1=C(F)C=CC(CO)=C1 MC40713 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.280 COC1=C(N)C=CC(C#N)=C1 CS14461 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.280 COC1=C(O)C=CC(C#N)=C1 MC40664 [1,0,0,0,0,0|0,0,2]=3 34 B11R1.280 COC1=C(O)C=CC(C=O)=C1 CS13553 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS22873 [1,0,0,0,0,0|0,0,0]=1 36 B11R1.280 COC1=C(O)C=CC(CO)=C1 MC40721 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.280 COC1=CC(C=O)=C(O)C=C1 CS20949 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.280 COC1=CC(CBr)=NC=C1F MC431887 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.280 COC1=CC(OC)=C(Br)C=C1 MC433149 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.280 COC1=CC(OC)=C(O)C=C1 CS21112 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.280 COC1=CC=C(N)C(OC)=N1 CS13926 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.280 COc1ccc(F)c(OC)c1 MC433522 [1,0,0,0,0,0|2,0,0]=3 43 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 CS22875 [0,1,0,0,0,0|1,0,1]=3 44 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 CS21130 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 CS19593 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 MC433954 [0,1,0,0,0,0|1,0,1]=3 47 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 CS16297 [0,1,0,0,0,0|0,0,2]=3 48 B13R1.386 COC1=C(OC)C=C(CC=O)C=C1 CS20165 [0,1,0,0,0,0|1,0,1]=3 49 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 MC10303 [0,1,0,0,0,0|1,0,0]=2 50 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 MC40784 [0,0,0,1,0,0|0,0,2]=3 51 B13R2.449 NCCC1=CC=C2NC=CC2=C1 CS16534 [0,0,0,1,0,0|2,0,1]=4 52 B13R2.449 O=C=Nc1ccc2c(c1)OCO2 MC41048 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 CS15247 [0,0,0,1,0,0|1,0,2]=4 54 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 MC444417 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 MC115997 [0,0,0,1,0,0|1,0,2]=4 56 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [2,0,0,0,0,0|0,0,2]=4 58 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.10 CCCc1cccc(F)c1 MC440476 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.10 FC1=CC=CC(CCBr)=C1 MC40572 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.10 NC1=CC=CC(CCO)=C1 CS22105 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.10 NCCC1=CC(Br)=CC=C1 CS15159 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.10 NCCC1=CC(F)=CC=C1 MC40979 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.10 OCCC1=CC(Br)=CC=C1 CS22186 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.10 OCCC1=CC(Cl)=CC=C1 CS22241 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.10 OCCC1=CC(F)=CC=C1 MC40743 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.172 CCC1=CC=CC(C#N)=C1 MC433775 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.172 CNC1=CC=CC(CO)=C1 MC115827 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.172 CNC1=CC=CC(NC)=C1 MC40949 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.172 COC1=CC(CN)=NC=C1 CS12102 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.172 COC1=CC(CN)=NC=C1 MC443540 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.172 COC1=CC(CN)=NC=N1 MC104626 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.172 COC1=CC(CO)=NC=C1 MC31070 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.172 COC1=CC(OC)=NC=C1 CS18092 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [2,0,0,0,0,0|1,0,0]=3 80 B10R1.172 COC1=CC=CC(CCl)=N1 CS16831 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [2,0,0,0,0,0|0,0,0]=2 82 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.172 COC1=CC=CC(NN)=C1 CS19580 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.172 COC1=CC=CC(OC)=C1 CS19845 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.172 COC1=CC=CC(OC)=N1 MC433065 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.172 COC1=CN=CC(OC)=C1 CS17332 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.172 COC1=NC=CC(CN)=C1 CS16830 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.172 COC1=NC=CC(CO)=C1 CS12823 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.172 N#CC1=CC(CN)=CC=C1 CS12083 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [2,0,0,0,0,0|1,0,0]=3 92 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.1 CC1=CC=C(CNN)C=C1 CS20201 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [2,0,0,0,0,0|1,0,0]=3 100 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [2,0,0,0,0,0|0,0,0]=2 104 B10R1.1 NCCC1=CNC(=O)C=C1 MC33499 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.1 NNCC1=CC=C(F)C=C1 CS17057 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [2,0,0,0,0,0|1,0,0]=3 111 B10R1.176 CC1=C(Br)C=CC(CO)=C1 MC111151 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.176 CC1=C(C)C=C(CBr)C=C1 CS14390 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.176 CC1=C(C)C=C(CN)C=C1 MC40823 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.176 CC1=C(C)C=C(NN)C=C1 CS20502 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 MC433895 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.176 CC1=C(F)C=CC(CN)=C1 MC40831 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.176 CC1=C(O)C=CC(C#N)=C1 CS17416 [2,0,0,0,0,0|0,0,2]=4 119 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.176 CC1=C(O)C=CC(CN)=C1 MC445599 [2,0,0,0,0,0|0,0,0]=2 121 B10R1.176 CCC1=CC(N)=C(O)C=C1 MC442496 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 MC432619 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.176 CCC1=CC(O)=C(N)C=C1 CS16266 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.176 CCC1=CC=C(O)C(O)=C1 MC441226 [2,0,0,0,0,0|0,0,0]=2 125 B10R1.176 CN1C=C(CN)C=CC1=O MC103927 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC30339 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.176 COC1=CC(Br)=C(O)C=C1 MC41160 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.176 COC1=CC(C)=C(Br)C=C1 MC33099 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.176 COC1=CC(C)=C(N)C=C1 CS13421 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.176 COC1=CC(C)=C(O)C=C1 CS15470 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.176 COC1=CC(Cl)=C(O)C=C1 CS20293 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.176 COC1=CC(F)=C(O)C=C1 MC441061 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.176 COC1=CC(N)=C(O)C=C1 CS21254 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.176 COC1=CC(O)=C(Br)C=C1 CS21376 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.176 COC1=CC(O)=C(Cl)C=C1 MC442395 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.176 COC1=CC(O)=C(F)C=C1 MC430013 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.176 COC1=CC(O)=C(N)C=C1 CS21584 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.176 COC1=CC=C(O)C(O)=C1 MC442392 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.176 N#CC1=CC(O)=C(O)C=C1 MC20147 [2,0,0,0,0,0|0,0,2]=4 140 B10R1.176 NCC1=CC(Br)=C(F)C=C1 MC40799 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 MC433898 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 MC30276 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.176 NCC1=CC(F)=C(Br)C=C1 MC425051 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.176 NCC1=CC(F)=C(Cl)C=C1 MC33195 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.176 NCC1=CC(F)=C(F)C=C1 MC33192 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.176 NCC1=CC(O)=C(O)C=C1 MC425646 [2,0,0,0,0,0|0,0,0]=2 147 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [2,0,0,0,0,0|1,0,1]=4 148 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS21356 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS16027 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.176 OCC1=CC(O)=C(I)C=C1 MC33283 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.30 CC1=CC(C#N)=C(O)C=C1 MC442255 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.30 CC1=CC(C=O)=C(O)C=C1 MC33170 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.30 CC1=CC(CN)=C(O)C=C1 MC431862 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.30 CCC1=NC(C)=CC=C1O CS13984 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.30 CCC1=NC(C)=CC=C1O MC41617 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.30 COC1=C(Br)C=CC(Br)=C1 CS12737 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.30 COC1=C(Br)C=CC(C)=C1 MC20209 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 CS21371 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.30 COC1=C(Br)C=CC(F)=C1 CS10394 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.30 COC1=C(Br)C=CC(I)=C1 MC33199 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.30 COC1=C(Br)C=CC(N)=C1 CS18102 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.30 COC1=C(Br)C=CC(N)=N1 MC429703 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.30 COC1=C(Br)C=CC(O)=C1 MC443538 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.30 COC1=C(Br)N=CC(N)=C1 CS12409 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.30 COC1=C(C)C=CC(Cl)=C1 MC33132 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.30 COC1=C(C)C=CC(N)=C1 MC40926 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 MC33062 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 MC33073 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.30 COC1=C(Cl)C=CC(F)=C1 MC41328 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.30 COC1=C(Cl)C=CC(I)=C1 MC20290 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS22759 [2,0,0,0,0,0|1,0,0]=3 172 B10R1.30 COC1=C(Cl)C=CC(O)=C1 MC441231 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.30 COC1=C(F)C=CC(Br)=C1 CS19804 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.30 COC1=C(F)C=CC(F)=C1 MC41336 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.30 COC1=C(F)C=CC(N)=C1 CS10516 [2,0,0,0,0,0|1,0,0]=3 176 B10R1.30 COC1=C(F)C=CC(O)=C1 CS16180 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.30 COC1=C(I)C=CC(Br)=C1 MC41321 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.30 COC1=C(I)C=CC(Cl)=C1 MC20291 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.30 COC1=C(I)C=CC(F)=C1 MC41340 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.30 COC1=C(I)C=CC(I)=C1 MC442228 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.30 COC1=C(N)C=CC(Br)=C1 CS19178 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.30 COC1=C(N)C=CC(Cl)=C1 MC30210 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.30 COC1=C(N)C=CC(F)=C1 CS12096 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.30 COC1=C(N)C=CC(F)=C1 MC40917 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.30 COC1=C(N)C=CC(I)=C1 MC21014 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.30 COC1=C(N)C=CC(N)=C1 CS21132 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.30 COC1=C(O)C=CC(Br)=C1 CS22682 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.30 COC1=C(O)C=CC(C)=C1 CS16322 [2,0,0,0,0,0|0,0,0]=2 189 B10R1.30 COC1=C(O)C=CC(Cl)=C1 MC41171 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.30 COC1=C(O)C=CC(F)=C1 MC41195 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.30 COC1=C(O)C=CC(I)=C1 MC41200 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.30 COC1=C(O)C=CC(N)=C1 MC41143 [2,0,0,0,0,0|0,0,0]=2 193 B10R1.30 COC1=C(O)C=CC(N)=C1 MC442300 [2,0,0,0,0,0|0,0,0]=2 194 B10R1.30 COC1=C(O)C=CC(O)=C1 MC33205 [2,0,0,0,0,0|1,0,0]=3 195 B10R1.30 COC1=C(O)C=NC(Br)=C1 MC429892 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.30 COC1=CC(N)=NC=C1Br MC431984 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.30 COC1=CC(N)=NC=C1F MC431830 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.30 COC1=NC(C)=CC=C1Br CS19284 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.30 COC1=NC(C)=CC=C1F MC103284 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.30 COC1=NC(C)=CC=C1N CS13867 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.30 N#CC1=C(O)C=CC(N)=C1 CS10205 [2,0,0,0,0,0|2,0,0]=4 202 B12R1.41 COC1=CC(CC#N)=CC(F)=C1 CS15069 [1,1,0,0,0,0|0,0,2]=4 203 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 CS16492 [1,1,0,0,0,0|0,0,2]=4 204 B12R1.270 COC1=CC(CC#N)=C(F)C=C1 CS15575 [1,1,0,0,0,0|0,0,2]=4 205 B12R1.279 NCCC1=CC([N+](=O)[O-])=CC=C1 MC40982 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.280 C=CCC1=C(O)C(OC)=CC=C1 MC112509 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 CS22346 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 CS11021 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.435 COC1=CC=CC(C(=O)NN)=C1 MC41005 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 MC40182 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.288 COC1=C(C)C=C(CCN)C=N1 MC111257 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.288 COC1=C(O)C=C(CCN)C=C1 MC20884 [1,1,0,0,0,0|0,0,0]=2 215 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 CS21891 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 MC30272 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 MC442694 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [1,1,0,0,0,0|0,0,1]=3 220 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 CS20340 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 MC106594 [1,1,0,0,0,0|0,0,2]=4 222 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 MC40649 [1,1,0,0,0,0|0,0,2]=4 223 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 MC10449 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 CS21945 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 MC10289 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.78 COC1=C(OC)C=C(CO)C=C1 CS19420 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.78 COC1=C(OC)C=C(NN)C=C1 MC40996 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.78 COC1=C(OC)N=C(CN)C=C1 MC33279 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.78 COC1=CC(OC)=C(C#N)C=C1 MC433125 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 CS15286 [1,1,0,0,0,0|1,0,1]=4 231 B12R1.78 COC1=CC(OC)=C(CCl)C=C1 MC10526 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.78 COC1=CC(OC)=C(CN)C=C1 CS15120 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS21200 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.78 COC1=CC(OC)=C(OC)C=C1 CS18710 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 MC105253 [1,1,0,0,0,0|0,0,2]=4 236 B12R1.300 COC1=CC(C=O)=CC(F)=C1O CS20848 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.300 COC1=CC(F)=C(Br)C(OC)=C1 MC20136 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.300 COC1=CC(F)=C(F)C(OC)=C1 MC110052 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.300 COC1=CC(N)=C(F)C(OC)=C1 MC433318 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.449 COC1=CC(OC)=C(Br)C=C1Br MC33090 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.453 CCC1=CC(B(O)O)=C(O)C=C1 MC442028 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.453 CCC1=CC([N+](=O)[O-])=C(O)C=C1 MC442495 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 MC446638 [1,1,0,0,0,0|2,0,0]=4 244 B14R1.1864 COC1=C(OC)C=C(C(C)NO)C=C1 MC107665 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.3412 COC1=C(O)C=CC(OC(F)(F)F)=C1 MC432555 [0,2,0,0,0,0|2,0,0]=4 246 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 CS16307 [0,2,0,0,0,0|1,0,1]=4 247 B14R1.6794 COC1=C(C(C)=O)C=C(CCO)C=C1 MC443782 [0,2,0,0,0,0|2,0,0]=4 248 B14R1.14946 COC1=CC(Br)=C(CC#N)C=C1OC MC40758 [0,2,0,0,0,0|0,0,2]=4 249 B14R1.42 COC1=C(N)C=CC(OCC(C)C)=C1 MC112359 [0,2,0,0,0,0|2,0,0]=4 250 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 MC106644 [0,2,0,0,0,0|0,0,1]=3 251 B14R1.907 COCCOC1=CC(OC)=C(N)C=C1 MC112358 [0,2,0,0,0,0|2,0,0]=4 252 B12R2.44 COC1=CC=C2CCNC2=C1 MC20447 [1,0,0,1,0,0|2,0,0]=4 253 B12R2.44 COC1=CC=C2CNCC2=C1 CS12707 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.44 COC1=CC=C2CNCC2=C1 MC100224 [1,0,0,1,0,0|2,0,0]=4 255 B12R2.44 COC1=CC=C2NC=CC2=C1 CS22068 [1,0,0,1,0,0|0,0,2]=4 256 B12R2.44 COC1=CC=C2NCCC2=C1 CS17324 [1,0,0,1,0,0|0,0,0]=2 257 B12R2.44 COC1=CC=C2NN=CC2=C1 MC425643 [1,0,0,1,0,0|1,0,1]=4 258 B12R2.315 COC1=C2CNCC2=CC=C1 CS17395 [1,0,0,1,0,0|2,0,0]=4 259 B12R2.315 COC1=C2CNCC2=CC=C1 MC107634 [1,0,0,1,0,0|2,0,0]=4 260 B12R2.315 NCC1=C2NCCC2=CC=C1 MC107112 [1,0,0,1,0,0|2,0,0]=4 261 B12R2.100 FC1=C(F)C=C2NCCC2=C1 CS12554 [1,0,0,1,0,0|2,0,0]=4 262 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 MC41285 [0,1,0,1,0,0|1,0,1]=4 263 B14R2.966 NNC(=O)C1=CC2=C(C=C1)OCO2 MC41006 [0,1,0,1,0,0|1,0,1]=4 264 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 MC40183 [0,1,0,1,0,0|1,0,1]=4 265 B14R2.82 COC1=C(OC)C=C2NC=CC2=C1 MC31053 [0,1,0,1,0,0|0,0,2]=4 266 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 MC103076 [0,1,0,1,0,0|1,0,1]=4 267 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 CS20819 [0,1,0,1,0,0|1,0,0]=3 268 B14R2.1128 COC1=C(O)C=C2C=NCCC2=C1 MC33403 [0,1,0,1,0,0|0,0,1]=3 269 B14R3.3022 c1c2c(cc3c1OCC3)OCC2 MC116154 [0,0,0,2,0,0|2,0,0]=4