0 B12R1.270 C=CC1=CC(OCC)=C(Cl)C=C1 MC112465 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.270 CCOC1=C(C)C=CC(C=O)=N1 MC430647 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.270 CCOC1=C(Cl)C=CC(C=O)=C1 MC112464 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.270 CCOC1=C(O)C=CC(C=O)=C1 MC41114 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.182 CCOC1=C(Br)C=CC(N)=C1 CS20424 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.182 CCOC1=C(Br)N=CC(N)=C1 CS12418 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.182 CCOC1=C(C)C=CC(N)=C1 MC111938 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.182 CCOC1=C(Cl)C=CC(Br)=C1 MC41352 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.182 CCOC1=C(F)C=CC(Cl)=C1 MC41354 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.189 CCOC1=CC=CC(C=O)=C1 MC433437 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.280 C=CC1=CC(OC)=C(O)C=C1 CS21640 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.280 CC1=C(C#N)C=C(C=O)C=C1 MC41111 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 CCC1=C(F)C=CC(C#N)=C1 MC40656 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.280 CCC1=C(F)C=CC(CN)=C1 MC111150 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 MC433729 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.280 CCC1=C(O)C=CC(C=O)=C1 MC441223 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 MC30328 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.280 COC1=C(Br)C=CC(CO)=C1 CS21375 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.280 COC1=C(C)C=CC(C#N)=C1 CS22338 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.280 COC1=C(C)C=CC(C=O)=C1 CS21938 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.280 COC1=C(C)C=CC(CN)=C1 MC111182 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 CS15135 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 MC40533 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.280 COC1=C(Cl)C=CC(CN)=C1 MC40809 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 CS17422 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.280 COC1=C(F)C=CC(C#N)=C1 MC30271 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.280 COC1=C(F)C=CC(C=O)=C1 MC429581 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.280 COC1=C(F)C=CC(CBr)=C1 MC429580 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.280 COC1=C(F)C=CC(CN)=C1 MC433899 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.280 COC1=C(F)C=CC(CO)=C1 MC40713 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.280 COC1=C(N)C=CC(C#N)=C1 CS14461 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.280 COC1=C(O)C=CC(C#N)=C1 MC40664 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.280 COC1=C(O)C=CC(C=O)=C1 CS13553 [1,0,0,0,0,0|0,0,0]=1 33 B11R1.280 COC1=C(O)C=CC(CN)=C1 CS22873 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.280 COC1=C(O)C=CC(CO)=C1 MC40721 [1,0,0,0,0,0|0,0,2]=3 35 B11R1.280 COC1=CC(OC)=C(Br)C=C1 MC433149 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.280 COC1=CC(OC)=C(O)C=C1 CS21112 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.280 COc1ccc(F)c(OC)c1 MC433522 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 CS14722 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 CS17615 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 CS20608 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.280 N#CC1=C(I)C=CC(C=O)=C1 MC431062 [1,0,0,0,0,0|2,0,1]=4 42 B13R1.97 CC(=O)NC1=C(C)C=CC(C=O)=C1 MC102228 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.97 O=CC1=CN=C(F)C(OC(F)F)=C1 MC110075 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.97 O=CC1=NC=C(F)C(OC(F)F)=C1 MC110085 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.354 CCCC1=C(F)C=CC(C(=O)O)=C1 CS16016 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.354 CCOC1=C(Br)C=CC([N+](=O)[O-])=C1 CS21379 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.354 CCOC1=C(Cl)C=CC(B(O)O)=C1 MC442855 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.354 CCOC1=C(N)C=CC([N+](=O)[O-])=C1 MC20294 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 MC425852 [0,1,0,0,0,0|1,0,1]=3 50 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 MC20668 [0,1,0,0,0,0|0,0,0]=1 51 B13R1.2431 COC(=O)C1=C(F)C=CC(C=O)=C1 MC431865 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O MC41091 [0,1,0,0,0,0|0,0,0]=1 53 B13R2.57 N#CC1=CC2=C(C=C1)NCCO2 CS21942 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.57 N#CC1=CC2=C(C=C1)OCCN2 CS17077 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.57 N#CC1=CC2=C(C=C1)OCCN2 CS21941 [0,0,0,1,0,0|2,0,1]=4 56 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 MC429944 [0,0,0,1,0,0|1,0,1]=3 57 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 CS21629 [0,0,0,1,0,0|0,0,0]=1 58 B13R2.57 O=CC1=CC2=C(C=N1)OCCO2 MC115814 [0,0,0,1,0,0|1,0,0]=2 59 B13R2.57 O=CC1=NC2=C(C=C1)CCCN2 MC100046 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 CS21036 [0,0,0,1,0,0|0,0,2]=3 61 B13R2.2121 CC1=NC2=C(C=CC(C=O)=C2)S1 MC107171 [0,0,0,1,0,0|1,1,1]=4 62 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 MC104564 [0,0,0,1,0,0|3,0,0]=4 63 B10R1.4 CCOC1=C(Br)C=CC=C1 MC20149 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.4 CCOC1=C(Br)C=NC=C1 MC443330 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.4 CCOC1=C(N)C=CC=C1 CS11823 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.4 CCOC1=C(N)C=CN=C1 MC442472 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.4 CCOC1=C(O)C=CC=C1 MC41194 [2,0,0,0,0,0|0,0,0]=2 68 B10R1.4 CCOC1=CC=CN=C1C MC443397 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.4 CCOC1=CC=CN=C1O MC110935 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.4 OC1=C(CCI)C=CC=C1 MC430321 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.10 CCCc1cccc(F)c1 MC440476 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.10 CCOC1=CC(Br)=NC=C1 MC430483 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.10 CCOC1=CC(N)=NC=C1 MC20309 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.10 CCOC1=CC=CC(N)=N1 MC33459 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.10 CCOC1=CN=CC(Br)=C1 MC107004 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.10 CCOC1=CN=CC(Cl)=C1 MC443271 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.10 CCOC1=NC=CC(Cl)=C1 MC113277 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 CC1=CC(CN)=C(O)C=C1 MC431862 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.30 CCC1=C(Br)C=CC(I)=C1 MC428380 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.30 CCC1=C(Cl)C=CC(O)=C1 MC20088 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.30 CCC1=C(F)C=CC(Br)=C1 MC41552 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.30 CCC1=C(F)C=CC(O)=C1 MC442497 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.30 CCC1=C(N)C=CC(Br)=C1 MC30325 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.30 CCC1=C(N)C=CC(Br)=C1 MC30326 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 MC30090 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.30 CCC1=NC(C)=CC=C1O CS13984 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.30 CCC1=NC(C)=CC=C1O MC41617 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.30 COC1=C(Br)C=CC(Br)=C1 CS12737 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.30 COC1=C(Br)C=CC(C)=C1 MC20209 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 CS21371 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.30 COC1=C(Br)C=CC(F)=C1 CS10394 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 COC1=C(Br)C=CC(I)=C1 MC33199 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.30 COC1=C(Br)C=CC(N)=C1 CS18102 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.30 COC1=C(Br)C=CC(O)=C1 MC443538 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.30 COC1=C(C)C=CC(Cl)=C1 MC33132 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.30 COC1=C(C)C=CC(N)=C1 MC40926 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 MC33062 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 MC33073 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.30 COC1=C(Cl)C=CC(F)=C1 MC41328 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.30 COC1=C(Cl)C=CC(I)=C1 MC20290 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS22759 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.30 COC1=C(Cl)C=CC(O)=C1 MC441231 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.30 COC1=C(F)C=CC(Br)=C1 CS19804 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.30 COC1=C(F)C=CC(F)=C1 MC41336 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.30 COC1=C(F)C=CC(N)=C1 CS10516 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.30 COC1=C(F)C=CC(O)=C1 CS16180 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.30 COC1=C(I)C=CC(Br)=C1 MC41321 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.30 COC1=C(I)C=CC(Cl)=C1 MC20291 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.30 COC1=C(I)C=CC(F)=C1 MC41340 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.30 COC1=C(I)C=CC(I)=C1 MC442228 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.30 COC1=C(N)C=CC(Br)=C1 CS19178 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.30 COC1=C(N)C=CC(Cl)=C1 MC30210 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.30 COC1=C(N)C=CC(F)=C1 CS12096 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.30 COC1=C(N)C=CC(F)=C1 MC40917 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.30 COC1=C(N)C=CC(I)=C1 MC21014 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.30 COC1=C(N)C=CC(N)=C1 CS21132 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.30 COC1=C(O)C=CC(Br)=C1 CS22682 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.30 COC1=C(O)C=CC(C)=C1 CS16322 [2,0,0,0,0,0|0,0,1]=3 119 B10R1.30 COC1=C(O)C=CC(Cl)=C1 MC41171 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.30 COC1=C(O)C=CC(F)=C1 MC41195 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.30 COC1=C(O)C=CC(I)=C1 MC41200 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.30 COC1=C(O)C=CC(N)=C1 MC41143 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.30 COC1=C(O)C=CC(N)=C1 MC442300 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.30 COC1=C(O)C=CC(O)=C1 MC33205 [2,0,0,0,0,0|0,0,1]=3 125 B10R1.30 COC1=C(O)C=NC(Br)=C1 MC429892 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.30 NCC1=C(O)C=CC(Br)=C1 CS18138 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.30 OCC1=CC(Br)=CC=C1O CS20280 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.172 CCC1=CC=CC(C#N)=C1 MC433775 [2,0,0,0,0,0|1,0,1]=4 129 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [2,0,0,0,0,0|0,0,0]=2 130 B10R1.172 COC1=CC(C=O)=NC=C1 MC425477 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [2,0,0,0,0,0|0,0,0]=2 132 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [2,0,0,0,0,0|1,0,0]=3 133 B10R1.172 COC1=CC=CC(CCl)=C1 MC10324 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.172 COC1=CC=CC(CN)=C1 CS19097 [2,0,0,0,0,0|1,0,1]=4 135 B10R1.172 COC1=CC=CC(CO)=C1 CS19269 [2,0,0,0,0,0|0,0,2]=4 136 B10R1.172 COC1=CC=CC(NN)=C1 CS19580 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.172 COC1=CC=CC(OC)=C1 CS19845 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.172 COC1=CN=CC(C=O)=C1 CS17827 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.172 COC1=NC=CC(C=O)=C1 CS15775 [2,0,0,0,0,0|1,0,0]=3 140 B10R1.172 COC1=NC=CC(C=O)=N1 CS12643 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.172 N#CC1=CC(C=O)=CC=C1 CS14027 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.172 NCC1=CC(C=O)=CN=C1 MC33471 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.172 NCC1=NC=CC(C=O)=C1 MC33470 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.172 O=CC1=CC(CBr)=CC=C1 MC430420 [2,0,0,0,0,0|1,0,0]=3 145 B10R1.172 O=CC1=CC=CC(C=O)=C1 CS20788 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.172 O=CC1=NC=CC(CO)=C1 MC102699 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 MC41096 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS22664 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.176 CC1=C(C)C=C(C=O)C=C1 MC33166 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 MC433130 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 MC433419 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.176 CC1=C(F)C=C(C=O)C=C1 MC33065 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.176 CC1=C(F)C=CC(C=O)=C1 MC41117 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.176 CC1=C(F)C=CC(C=O)=N1 CS12797 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.176 CC1=C(O)C=C(C=O)C=C1 MC41122 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.176 CC1=C(O)C=CC(C#N)=C1 CS17416 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [2,0,0,0,0,0|0,0,0]=2 158 B10R1.176 CC1=C(O)C=CC(CN)=C1 MC445599 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.176 CC1=CC(C=O)=CN=C1O MC442266 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.176 CC1=NC=C(C=O)C=C1O MC430648 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.176 CCC1=CC=C(O)C(O)=C1 MC441226 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.176 COC1=CC(C)=C(O)C=C1 CS15470 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.176 COC1=CC=C(O)C(O)=C1 MC442392 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.176 N#CC1=CC(O)=C(O)C=C1 MC20147 [2,0,0,0,0,0|1,0,1]=4 165 B10R1.176 NCC1=CC(O)=C(O)C=C1 MC425646 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 MC430425 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 CS12700 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 CS10229 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 MC20184 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 CS12259 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 CS19889 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 MC20026 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 CS10232 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 CS10264 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.176 O=CC1=CC(F)=C(F)C=C1 CS14168 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.176 O=CC1=CC(F)=C(I)C=C1 CS10296 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS10367 [2,0,0,0,0,0|1,0,0]=3 178 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 MC431061 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 MC441220 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.176 O=CC1=CC(I)=C(F)C=C1 MC20286 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.176 O=CC1=CC(I)=C(I)C=C1 MC431060 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.176 O=CC1=CC(I)=C(O)C=C1 MC429971 [2,0,0,0,0,0|1,0,0]=3 183 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 MC41092 [2,0,0,0,0,0|1,0,0]=3 184 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 CS15259 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.176 O=CC1=CC(O)=C(F)C=C1 MC41115 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [2,0,0,0,0,0|0,0,0]=2 187 B12R1.354 CCC(=O)C1=C(O)C=CC(F)=C1 MC41283 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.374 BrCCOC1=C(Br)C=CC(Br)=C1 MC106792 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.41 CCOC1=CC(O)=CC(C=O)=C1 MC425725 [1,1,0,0,0,0|0,0,0]=2 190 B12R1.279 CCCC1=CC=CC(C(=O)O)=C1 MC431660 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.279 CCOC1=CC=CC(C(=O)O)=C1 MC443261 [1,1,0,0,0,0|0,0,0]=2 192 B12R1.286 CCOC1=CC(C#N)=C(F)C=C1 MC432560 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.286 CCOC1=CC(C=O)=C(Br)C=C1 MC107360 [1,1,0,0,0,0|0,0,0]=2 194 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 MC425419 [1,1,0,0,0,0|0,0,1]=3 195 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 CS21632 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 MC41125 [1,1,0,0,0,0|0,0,0]=2 197 B12R1.438 O=CC1=CC(OC(F)F)=CC=C1 MC20127 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.438 O=CC1=CC(OC(F)F)=NC=C1 CS17270 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.56 CCC1=C(Br)C=CC(C(=O)O)=C1 MC428381 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 MC30294 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 CS22663 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 CS16863 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 MC30087 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS21939 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 CS10878 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 CS20832 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 CS13301 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS20212 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS16067 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 MC30272 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.56 COC1=C(F)C=CC([N+](=O)[O-])=C1 CS21550 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 MC20116 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS21016 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.56 COC1=C(N)C=CC(C(=O)O)=N1 MC432347 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 CS16396 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 MC442694 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [1,1,0,0,0,0|0,0,0]=2 218 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [1,1,0,0,0,0|0,0,0]=2 219 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 CS20340 [1,1,0,0,0,0|1,0,0]=3 220 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1O MC431861 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 MC441018 [1,1,0,0,0,0|1,0,1]=4 222 B12R1.78 C#CC1=CC(OC)=C(OC)C=C1 MC106594 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 MC40649 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 MC10449 [1,1,0,0,0,0|0,0,0]=2 225 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 CS21945 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.78 COC1=C(OC)C=C(CCl)C=C1 MC10289 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.78 COC1=C(OC)C=C(CO)C=C1 CS19420 [1,1,0,0,0,0|0,0,2]=4 228 B12R1.78 COC1=C(OC)C=C(NN)C=C1 MC40996 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 MC431779 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS21200 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.78 COC1=CC(OC)=C(OC)C=C1 CS18710 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 MC105253 [1,1,0,0,0,0|1,0,1]=4 233 B12R1.300 COC1=CC(C=O)=CC(F)=C1O CS20848 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.449 COC1=CC(C=O)=C(F)C=C1Cl MC106574 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.453 O=CC1=CC([N+](=O)[O-])=C(O)C=C1 CS20152 [1,1,0,0,0,0|2,0,0]=4 236 B14R1.578 O=CC1=CC(Cl)=C(Cl)C(OC(F)F)=C1 MC109195 [0,2,0,0,0,0|2,0,0]=4 237 B14R1.676 CC(C)OC1=C(N)C=CC(C(N)=O)=C1 MC110595 [0,2,0,0,0,0|1,0,0]=3 238 B14R1.881 O=CC1=C(Cl)C=C(Cl)C(OC(F)F)=C1 MC109188 [0,2,0,0,0,0|2,0,0]=4 239 B14R1.2318 O=CC1=C(Cl)C(OC(F)F)=C(Cl)C=C1 MC109187 [0,2,0,0,0,0|2,0,0]=4 240 B14R1.2336 O=CC1=CC(OC(F)(F)F)=C(Cl)C=C1 MC30318 [0,2,0,0,0,0|2,0,0]=4 241 B14R1.2336 O=CC1=CC(OC(F)(F)F)=C(F)C=C1 MC430190 [0,2,0,0,0,0|2,0,0]=4 242 B14R1.2336 O=CC1=CC(OC(F)(F)F)=C(O)C=C1 MC433443 [0,2,0,0,0,0|1,0,0]=3 243 B14R1.706 CCC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 MC105782 [0,2,0,0,0,0|2,0,0]=4 244 B14R1.5293 CCOC1=CC([N+](=O)[O-])=CC(F)=C1F MC110054 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.2315 COC(=O)C1=C(OC)C=CC(C=O)=C1 MC10431 [0,2,0,0,0,0|2,0,0]=4 246 B14R1.2335 O=CC1=CC(OCC(F)F)=C(Cl)C=C1 MC112466 [0,2,0,0,0,0|1,0,0]=3 247 B14R1.3228 CCOC1=CC(C=O)=C(F)C(F)=C1C MC102565 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.312 CCOC(=O)C1=CC=C(C=O)N1 CS17740 [0,0,1,1,0,0|2,0,0]=4 249 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS10787 [1,0,0,1,0,0|2,0,0]=4 250 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 CS15185 [1,0,0,1,0,0|2,0,0]=4 251 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 CS15468 [1,0,0,1,0,0|2,0,0]=4 252 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 CS10776 [1,0,0,1,0,0|1,0,0]=3 253 B12R2.24 BrC1=CC=C2CCCOC2=C1 MC443258 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.24 BrC1=CC=C2OCCCC2=C1 CS19916 [1,0,0,1,0,0|2,0,0]=4 255 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 MC443200 [1,0,0,1,0,0|2,0,0]=4 256 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 MC441073 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.24 IC1=CC=C2OCCCC2=C1 MC425133 [1,0,0,1,0,0|2,0,0]=4 258 B12R2.24 NC1=CC2=C(C=C1)NCCO2 MC442710 [1,0,0,1,0,0|2,0,0]=4 259 B12R2.24 OC1=CC2=C(C=C1)NCCO2 MC442455 [1,0,0,1,0,0|1,0,1]=4 260 B12R2.24 OC1=CC2=C(C=C1)OCCO2 MC429083 [1,0,0,1,0,0|0,0,1]=3 261 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 CS15841 [1,0,0,1,0,0|1,0,1]=4 262 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 CS21622 [1,0,0,1,0,0|2,0,0]=4 263 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 MC441152 [1,0,0,1,0,0|0,0,2]=4 264 B12R2.44 OCC1=CC2=C(C=C1)CCO2 MC442824 [1,0,0,1,0,0|0,0,2]=4 265 B12R2.315 O=CC1=C2C=COC2=CC=C1 MC441168 [1,0,0,1,0,0|0,0,2]=4 266 B12R2.315 O=CC1=CC=CC2=C1OCC2 MC442782 [1,0,0,1,0,0|2,0,0]=4 267 B12R2.1 O=CC1=C2OCCOC2=CS1 CS21043 [0,0,0,1,1,0|1,0,0]=3 268 B14R2.3303 O=CC1=CC2=C(C=C1)OC(F)(F)O2 MC10346 [0,1,0,1,0,0|1,0,0]=3 269 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)O1 CS21686 [0,1,0,1,0,0|1,0,1]=4 270 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)O1 CS15881 [0,1,0,1,0,0|1,0,1]=4 271 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 MC429085 [0,1,0,1,0,0|0,0,0]=2 272 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 MC103664 [0,1,0,1,0,0|1,0,0]=3 273 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCN2 MC113311 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 CS18312 [0,1,0,1,0,0|0,0,0]=2 275 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)NCCO2 CS13654 [0,1,0,1,0,0|2,0,0]=4 276 B14R2.781 OB(O)C1=CC2=C(C=C1)OCCO2 CS20975 [0,1,0,1,0,0|1,0,1]=4 277 B12R1.114 CCOC1=NC=C(C=O)C=C1F CS16272 [0,0,0,0,1,1|1,0,0]=3