0 B12R1.286 COC1=C(C)C=CC(CC#N)=C1 CS22339 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.286 COC1=C(F)C=CC(CC#N)=C1 MC40775 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC437967 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.286 COC1=C(O)C=CC(CCN)=C1 MC443853 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.189 C=CCC1=CC=CC(OC)=C1 MC425775 [1,0,0,0,0,0|0,0,0]=1 5 B11R1.189 COC1=CC=CC(CC#N)=C1 CS11040 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.189 COC1=CC=CC(CCN)=C1 CS13916 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.189 COC1=CC=CC(CCO)=C1 CS22342 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.192 CC1=C(F)C=CC(CC#N)=C1 MC40778 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.192 NCCC1=CC=C(O)C(O)=C1 CS15345 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.192 O=CCC1=CC(Br)=C(F)C=C1 MC430543 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.192 O=CCC1=CC(F)=C(Br)C=C1 MC430272 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 CS21640 [1,0,0,0,0,0|0,0,0]=1 13 B11R1.280 CCC1=C(F)C=CC(CN)=C1 MC111150 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 MC441223 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 MC30328 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.280 COC1=C(Br)C=CC(CO)=C1 CS21375 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.280 COC1=C(C)C=CC(C#N)=C1 CS22338 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.280 COC1=C(C)C=CC(C=O)=C1 CS21938 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.280 COC1=C(C)C=CC(CN)=C1 MC111182 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 CS15135 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 MC40533 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 MC40809 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 CS17422 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.280 COC1=C(F)C=CC(C#N)=C1 MC30271 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.280 COC1=C(F)C=CC(C=O)=C1 MC429581 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.280 COC1=C(F)C=CC(CBr)=C1 MC429580 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.280 COC1=C(F)C=CC(CN)=C1 MC433899 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.280 COC1=C(F)C=CC(CO)=C1 MC40713 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.280 COC1=C(N)C=CC(C#N)=C1 CS14461 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.280 COC1=C(O)C=CC(C#N)=C1 MC40664 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.280 COC1=C(O)C=CC(C=O)=C1 CS13553 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS22873 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.280 COC1=C(O)C=CC(CO)=C1 MC40721 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.280 COC1=CC(CBr)=NC=C1F MC431887 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.280 COC1=CC(OC)=C(Br)C=C1 MC433149 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.280 COC1=CC(OC)=C(O)C=C1 CS21112 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.280 COc1ccc(F)c(OC)c1 MC433522 [1,0,0,0,0,0|2,0,1]=4 38 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 CS22875 [0,1,0,0,0,0|0,0,3]=4 39 B13R1.49 COC(=O)C1=CC(OC)=C(O)C=C1 CS21130 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 CS19593 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 MC433954 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 CS16297 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.386 COC1=C(OC)C=C(CC=O)C=C1 CS20165 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 MC10303 [0,1,0,0,0,0|1,0,1]=3 45 B13R2.121 COC1=C2C=NNC2=CC=C1Br MC100877 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.449 N#CCC1=CC2=C(C=C1)OCO2 MC40784 [0,0,0,1,0,0|1,0,1]=3 47 B13R2.449 O=C=Nc1ccc2c(c1)OCO2 MC41048 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 CS15247 [0,0,0,1,0,0|2,0,1]=4 49 B13R2.599 COC1=C(F)C=C2NC=CC2=C1 MC115997 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.599 COC1=C(N)C=C2C=NNC2=C1 MC115959 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.599 COC1=CC2=C(C=C1Br)N=CN2 CS16251 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.10 C=CCC1=CC=CC(O)=C1 MC425380 [2,0,0,0,0,0|0,0,0]=2 53 B10R1.10 CC1=CC(CC#N)=CC=C1 CS18941 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.10 CC1=CC(CCO)=CC=C1 CS22372 [2,0,0,0,0,0|1,0,1]=4 55 B10R1.10 NNCC1=CC(O)=CC=C1 MC10382 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.10 O=CCC1=CC(O)=CC=C1 MC106361 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.172 CNC1=CC=CC(CO)=C1 MC115827 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.172 COC1=CC(C=O)=NC=C1 MC425477 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.172 COC1=CC(CN)=NC=C1 CS12102 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.172 COC1=CC(CN)=NC=C1 MC443540 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.172 COC1=CC(CO)=NC=C1 MC31070 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.172 COC1=CC=CC(CCl)=N1 CS16831 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.172 COC1=CC=CC(NN)=C1 CS19580 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.172 COC1=CC=CC(OC)=C1 CS19845 [2,0,0,0,0,0|1,0,1]=4 71 B10R1.172 COC1=CN=CC(C=O)=C1 CS17827 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.172 COC1=NC=CC(C=O)=C1 CS15775 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.172 COC1=NC=CC(CN)=C1 CS16830 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.172 COC1=NC=CC(CO)=C1 CS12823 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.176 C=CC1=CC(F)=C(F)C=C1 CS19052 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS22664 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.176 CC1=C(Br)C=CC(CO)=C1 MC111151 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.176 CC1=C(C)C=C(C=O)C=C1 MC33166 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.176 CC1=C(C)C=C(CBr)C=C1 CS14390 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.176 CC1=C(C)C=C(CN)C=C1 MC40823 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 MC433419 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.176 CC1=C(F)C=CC(C=O)=C1 MC41117 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.176 CC1=C(F)C=CC(CN)=C1 MC40831 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.176 CC1=C(O)C=C(C=O)C=C1 MC41122 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.176 CC1=C(O)C=CC(C#N)=C1 CS17416 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [2,0,0,0,0,0|1,0,0]=3 92 B10R1.176 CC1=C(O)C=CC(CN)=C1 MC445599 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.176 CC1=CC(C=O)=CN=C1O MC442266 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.176 CCC1=CC(N)=C(O)C=C1 MC442496 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 MC432619 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.176 CCC1=CC(O)=C(N)C=C1 CS16266 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.176 CCC1=CC=C(O)C(O)=C1 MC441226 [2,0,0,0,0,0|0,0,1]=3 98 B10R1.176 COC1=CC(C)=C(O)C=C1 CS15470 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.176 COC1=CC=C(O)C(O)=C1 MC442392 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.176 N#CC1=CC(O)=C(O)C=C1 MC20147 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.176 NCC1=CC(O)=C(O)C=C1 MC425646 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 MC20184 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS10367 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.176 O=CC1=CC(I)=C(O)C=C1 MC429971 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 MC41092 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 CS15259 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.176 O=CC1=CC(O)=C(F)C=C1 MC41115 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS21356 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS16027 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.176 OCC1=CC(O)=C(I)C=C1 MC33283 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.30 CC1=CC(C#N)=C(O)C=C1 MC442255 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.30 CC1=CC(C=O)=C(O)C=C1 MC33170 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.30 CC1=CC(CN)=C(O)C=C1 MC431862 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.30 CCC1=NC(C)=CC=C1O CS13984 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.30 CCC1=NC(C)=CC=C1O MC41617 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.30 COC1=C(Br)C=CC(Br)=C1 CS12737 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.30 COC1=C(Br)C=CC(C)=C1 MC20209 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 CS21371 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.30 COC1=C(Br)C=CC(F)=C1 CS10394 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.30 COC1=C(Br)C=CC(I)=C1 MC33199 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.30 COC1=C(Br)C=CC(N)=C1 CS18102 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.30 COC1=C(Br)C=CC(O)=C1 MC443538 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.30 COC1=C(C)C=CC(Cl)=C1 MC33132 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.30 COC1=C(C)C=CC(N)=C1 MC40926 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 MC33062 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 MC33073 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.30 COC1=C(Cl)C=CC(F)=C1 MC41328 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.30 COC1=C(Cl)C=CC(I)=C1 MC20290 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS22759 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.30 COC1=C(Cl)C=CC(O)=C1 MC441231 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.30 COC1=C(F)C=CC(Br)=C1 CS19804 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.30 COC1=C(F)C=CC(F)=C1 MC41336 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.30 COC1=C(F)C=CC(N)=C1 CS10516 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.30 COC1=C(F)C=CC(O)=C1 CS16180 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.30 COC1=C(I)C=CC(Br)=C1 MC41321 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.30 COC1=C(I)C=CC(Cl)=C1 MC20291 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.30 COC1=C(I)C=CC(F)=C1 MC41340 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.30 COC1=C(I)C=CC(I)=C1 MC442228 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.30 COC1=C(N)C=CC(Br)=C1 CS19178 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.30 COC1=C(N)C=CC(Cl)=C1 MC30210 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.30 COC1=C(N)C=CC(F)=C1 CS12096 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.30 COC1=C(N)C=CC(F)=C1 MC40917 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.30 COC1=C(N)C=CC(I)=C1 MC21014 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.30 COC1=C(N)C=CC(N)=C1 CS21132 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.30 COC1=C(O)C=CC(Br)=C1 CS22682 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.30 COC1=C(O)C=CC(C)=C1 CS16322 [2,0,0,0,0,0|0,0,0]=2 148 B10R1.30 COC1=C(O)C=CC(Cl)=C1 MC41171 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.30 COC1=C(O)C=CC(F)=C1 MC41195 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.30 COC1=C(O)C=CC(I)=C1 MC41200 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.30 COC1=C(O)C=CC(N)=C1 MC41143 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.30 COC1=C(O)C=CC(N)=C1 MC442300 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.30 COC1=C(O)C=CC(O)=C1 MC33205 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.30 COC1=C(O)C=NC(Br)=C1 MC429892 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.30 COC1=NC(C)=CC=C1Br CS19284 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.30 COC1=NC(C)=CC=C1F MC103284 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.30 COC1=NC(C)=CC=C1N CS13867 [2,0,0,0,0,0|2,0,0]=4 158 B12R1.41 COC1=CC(CC#N)=CC(F)=C1 CS15069 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.270 C=CCC1=C(O)C=CC(C#N)=C1 MC111280 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 CS16492 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.270 COC1=CC(CC#N)=C(F)C=C1 CS15575 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.280 C=CCC1=C(O)C(OC)=CC=C1 MC112509 [1,1,0,0,0,0|0,0,0]=2 163 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 MC425419 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 MC40182 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 MC432368 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [1,1,0,0,0,0|0,0,1]=3 167 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 MC40151 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC21107 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC433950 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 MC40146 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 MC40167 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.288 COC1=C(O)C=C(CCN)C=C1 MC20884 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 CS22663 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS21939 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 CS20832 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS16067 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 MC30272 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS21016 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 MC442694 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [1,1,0,0,0,0|0,0,1]=3 183 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 CS20340 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 MC106594 [1,1,0,0,0,0|0,0,2]=4 185 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 MC40649 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 MC10449 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 CS21945 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 MC10289 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.78 COC1=C(OC)C=C(CO)C=C1 CS19420 [1,1,0,0,0,0|1,0,0]=3 190 B12R1.78 COC1=C(OC)C=C(NN)C=C1 MC40996 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 MC431779 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.78 COC1=C(OC)N=C(CN)C=C1 MC33279 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS21200 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.78 COC1=CC(OC)=C(OC)C=C1 CS18710 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 MC105253 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.300 COC1=CC(C=O)=CC(F)=C1O CS20848 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.449 COC1=CC(C=O)=C(F)C=C1Cl MC106574 [1,1,0,0,0,0|2,0,0]=4 198 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 CS21946 [0,2,0,0,0,0|1,0,1]=4 199 B14R1.1864 COC1=C(OC)C=C(C(C)NO)C=C1 MC107665 [0,2,0,0,0,0|2,0,0]=4 200 B14R1.3405 COC(=O)CC1=CC(OC)=C(Br)C=C1 MC430369 [0,2,0,0,0,0|1,0,1]=4 201 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 CS16307 [0,2,0,0,0,0|1,0,0]=3 202 B14R1.14946 COC1=CC(Br)=C(CC#N)C=C1OC MC40758 [0,2,0,0,0,0|1,0,1]=4 203 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 MC106644 [0,2,0,0,0,0|1,0,1]=4 204 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS11068 [0,2,0,0,0,0|0,0,1]=3 205 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 CS14897 [0,2,0,0,0,0|0,0,1]=3 206 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 MC41849 [0,2,0,0,0,0|0,0,1]=3 207 B12R2.44 COC1=CC2=C(C=C1)N=CN2 MC425785 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.44 COC1=CC2=C(C=C1)N=CS2 CS10718 [1,0,0,1,0,0|2,0,0]=4 209 B12R2.44 COC1=CC2=C(C=C1)SC=C2 MC111400 [1,0,0,1,0,0|1,0,1]=4 210 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS16497 [1,0,0,1,0,0|1,0,0]=3 211 B12R2.44 COC1=CC2=C(C=CS2)C=C1 CS16120 [1,0,0,1,0,0|1,0,0]=3 212 B12R2.44 COC1=CC=C2C=CNC2=C1 MC20057 [1,0,0,1,0,0|1,0,0]=3 213 B12R2.44 COC1=CC=C2C=NNC2=C1 MC425259 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.44 COC1=CC=C2CNCC2=C1 CS12707 [1,0,0,1,0,0|1,0,1]=4 215 B12R2.44 COC1=CC=C2CNCC2=C1 MC100224 [1,0,0,1,0,0|1,0,1]=4 216 B12R2.44 COC1=CC=C2NC=CC2=C1 CS22068 [1,0,0,1,0,0|1,0,1]=4 217 B12R2.44 COC1=CC=C2NCCC2=C1 CS17324 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.44 COC1=CN=C2C=CNC2=C1 MC105229 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.315 COC1=C2C=CNC2=CC=C1 CS21717 [1,0,0,1,0,0|1,0,0]=3 220 B12R2.315 COC1=C2C=CNC2=NC=C1 MC10480 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.315 COC1=C2C=NNC2=CC=C1 MC102407 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.315 COC1=C2CNCC2=CC=C1 CS17395 [1,0,0,1,0,0|1,0,1]=4 223 B12R2.315 COC1=C2CNCC2=CC=C1 MC107634 [1,0,0,1,0,0|1,0,1]=4 224 B12R2.315 COC1=CC=CC2=C1OC=C2 CS21625 [1,0,0,1,0,0|1,0,1]=4 225 B12R2.82 CC1=C(O)C=CC2=C1N=CN2 MC430520 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.82 CC1=C2C=CNC2=CC=C1O MC111282 [1,0,0,1,0,0|1,0,0]=3 227 B12R2.100 CC1=C(Br)C=C2C=CNC2=C1 MC107268 [1,0,0,1,0,0|2,0,0]=4 228 B12R2.100 CC1=C(Cl)C=C2C=CNC2=C1 CS10342 [1,0,0,1,0,0|2,0,0]=4 229 B12R2.100 CC1=C(O)C=C2C=NNC2=C1 MC427384 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.100 OC1=C(Br)C=C2NC=CC2=C1 MC105158 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 MC105155 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 MC430377 [1,0,0,1,0,0|2,0,0]=4 233 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 MC40183 [0,1,0,1,0,0|1,0,0]=3 234 B14R2.82 COC1=C(OC)C=C2NC=CC2=C1 MC31053 [0,1,0,1,0,0|1,0,0]=3 235 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 MC103076 [0,1,0,1,0,0|2,0,0]=4 236 B14R2.1238 COC1=CC=C2NC=CC2=C1OC MC443549 [0,1,0,1,0,0|1,0,0]=3 237 B14R2.991 OCCNC1=CC2=C(C=C1)OCO2 CS20819 [0,1,0,1,0,0|1,0,1]=4 238 B14R2.1128 COC1=C(O)C=C2C=NCCC2=C1 MC33403 [0,1,0,1,0,0|0,0,1]=3