0 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 MC106746 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.21 NC(=[NH2+])SCC1=CC=C(F)C=C1 MC112601 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS15944 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS17825 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [0,0,0,0,0,0|1,0,2]=3 16 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 CS22887 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 CS16393 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.1 CCOCC1=CC=C(O)C=C1 CS16541 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.1 CNCCC1=CC=C(N)C=C1 MC40974 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.1 CNCCC1=CC=C(O)C=C1 MC426074 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.1 CNCCC1=NC=C(F)C=C1 MC431885 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.1 COCCC1=CC=C(O)C=C1 MC445496 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.1 FC1=CC=C(CCCBr)C=C1 MC113691 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.1 O=C=NCC1=CC=C(F)C=C1 MC433986 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS14013 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|1,0,0]=2 27 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 CS21725 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS10957 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 MC40211 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,0,0,0,0,0|2,0,0]=3 40 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 MC21104 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 CS21838 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 CS11716 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 CS21127 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 MC442241 [0,1,0,0,0,0|1,0,1]=3 45 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS12844 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS11125 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433909 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS11646 [0,1,0,0,0,0|0,0,2]=3 49 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 MC40106 [0,1,0,0,0,0|0,0,2]=3 50 B13R1.14 OC(CCl)CCC1=CC=C(Cl)C=C1 MC114909 [0,1,0,0,0,0|1,0,2]=4 51 B13R1.132 CC(CN(C)C)C1=CC=C(Br)C=C1 MC41972 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.132 NC(=O)CC(=O)C1=CC=C(F)C=C1 MC427047 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 CS15527 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 CS13598 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 CS10885 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437927 [0,1,0,0,0,0|2,0,0]=3 57 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 MC437928 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC438265 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC438266 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.133 NC(=O)C(N)Cc1ccc(O)cc1 MC439196 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O CS10882 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O MC40196 [0,1,0,0,0,0|2,0,0]=3 63 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O MC426010 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O CS10883 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O MC436857 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O CS10886 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O CS22841 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MC428050 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O MC428053 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O CS10887 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O MC106641 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O MC426012 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19139 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O CS19180 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O MC436856 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.133 NC(Cc1ccc(Cl)cc1)C(=O)O MC439349 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.133 NC(Cc1ccc(F)cc1)C(=O)O MC439087 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436187 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436188 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC436189 [0,1,0,0,0,0|2,0,0]=3 81 B13R1.133 Nc1ccc(CC(N)C(=O)O)cc1 MC439242 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.133 [15NH2]C(Cc1ccc(O)cc1)C(=O)O MC438264 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 MC40198 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.164 O=C(O)CCC1=C(F)C=C(Br)C=C1 MC425736 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.164 O=C(O)CCC1=C(F)C=C(F)C=C1 MC40200 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.164 O=C(O)CNC1=C(F)C=C(F)C=C1 MC116288 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 CS16351 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.164 O=C(O)COC1=C(O)C=C(Cl)C=C1 CS16588 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(O)C=C1 MC40209 [0,1,0,0,0,0|1,0,2]=4 90 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 CS13209 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 MC40201 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.155 CN1CCc2ccc(N)cc2C1 MC103446 [0,0,0,1,0,0|3,0,0]=4 93 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CS10778 [0,0,0,1,0,0|2,0,0]=3 94 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 MC444617 [0,0,0,1,0,0|1,0,1]=3 95 B13R2.155 Nc1ccc2c(c1)NC(=O)CO2 MC41745 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 CS16303 [0,0,0,1,0,0|1,0,2]=4 97 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 MC111869 [0,0,0,1,0,0|1,0,0]=2 98 B13R2.155 O=C1CCC2=CC=C(Br)C=C2N1 MC106566 [0,0,0,1,0,0|2,0,0]=3 99 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 CS10802 [0,0,0,1,0,0|2,0,0]=3 100 B13R2.155 O=C1CCC2=CC=C(O)C=C2C1 CS18274 [0,0,0,1,0,0|0,0,0]=1 101 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 CS21727 [0,0,0,1,0,0|1,0,0]=2 102 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 CS10626 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 MC442305 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 MC441074 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 CS16680 [0,0,0,1,0,0|2,0,0]=3 106 B13R2.2988 OC1=CC=C(C2CC2(Cl)Cl)C=C1 MC114419 [0,0,0,1,0,0|2,0,1]=4 107 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,0,0,0,1,0|1,0,0]=2 108 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,0,0,0,1,0|1,0,0]=2 109 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,0,0,0,1,0|2,0,0]=3 110 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,0,0,0,1,0|2,0,0]=3 111 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [0,0,0,0,1,0|3,0,0]=4 112 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,0,0,0,1,0|2,0,0]=3 113 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,0,0,0,1,0|2,0,0]=3 114 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,0,0,0,1,0|2,0,0]=3 115 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [0,0,0,0,1,0|2,0,1]=4 116 B11R1.20 CC(C)OC1=CC=C(O)C=C1 MC443483 [0,0,0,0,1,0|2,0,1]=4 117 B11R1.20 CC(C)SC1=CC=C(O)C=C1 MC112512 [0,0,0,0,1,0|2,0,1]=4 118 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,0,0,0,1,0|2,0,0]=3 119 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,0,0,0,1,0|3,0,0]=4 120 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,0,0,0,1,0|3,0,0]=4 121 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,0,0,0,1,0|2,0,0]=3 122 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [0,0,0,0,1,0|3,0,0]=4 123 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [0,0,0,0,1,0|3,0,0]=4 124 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,0,0,0,1,0|2,0,0]=3 125 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,0,0,0,1,0|2,0,0]=3 127 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 MC429488 [0,0,0,0,1,0|3,0,0]=4 128 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,0,0,0,1,0|2,0,0]=3 129 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,0,0,0,1,0|1,0,0]=2 130 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,0,0,0,1,0|1,1,0]=3 131 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,0,0,0,1,0|3,0,0]=4 132 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,0,0,0,1,0|3,0,0]=4 133 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS11150 [0,0,0,0,0,1|2,0,0]=3 134 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 CS11085 [0,0,0,0,0,1|2,0,0]=3 135 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 CS15672 [0,0,0,0,0,1|1,0,0]=2 136 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 MC41824 [0,0,0,0,0,1|2,0,0]=3 137 B10R1.1 CC1=CC=C(CCBr)C=C1 CS19977 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.1 CC1=CC=C(CCN)C=C1 CS18979 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.1 CCCC1=CC=C(Br)C=C1 CS10896 [2,0,0,0,0,0|1,0,0]=3 141 B10R1.1 CCOC1=CC=C(Br)C=C1 MC446797 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.1 CCOC1=CC=C(I)C=C1 CS22907 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.1 CNCC1=CC=C(Br)C=C1 CS19272 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.1 CNCC1=CC=C(C)C=C1 CS11795 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.1 ClC1=CC=C(CCBr)C=C1 CS10835 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.1 ClCCC1=CC=C(Cl)C=C1 MC433885 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.1 FC1=CC=C(CCBr)C=C1 CS10866 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [2,0,0,0,0,0|1,0,1]=4 150 B10R1.1 NCCC1=CC=C(Br)C=C1 CS19296 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.1 NCCC1=CC=C(Cl)C=C1 MC40975 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.1 NCCC1=CC=C(F)C=C1 CS13766 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.1 NCCC1=CC=C(O)C=C1 CS22315 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [2,0,0,0,0,0|1,0,1]=4 158 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [2,0,0,0,0,0|1,0,1]=4 160 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [2,0,0,0,0,0|0,0,1]=3 162 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [2,0,0,0,0,0|0,0,2]=4 165 B12R1.1 COCCOC1=CC=C(N)C=C1 CS13382 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.1 OC1=CC=C(OCCCBr)C=C1 MC103168 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 CS11969 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.49 NC(CO)Cc1ccc(O)cc1 MC439069 [1,1,0,0,0,0|0,0,2]=4 170 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 MC443141 [1,1,0,0,0,0|0,0,1]=3 171 B12R1.71 C#CC1=CC=C(CCCC)C=C1 CS11680 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.385 CCCCC1=CC=C(N)C(N)=C1 MC445204 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [1,1,0,0,0,0|0,0,0]=2 174 B12R1.27 NCC(=O)OCC1=CC=CC=C1 MC428105 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.27 NCC(=O)OCc1ccccc1 MC437714 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.27 NCC(=O)OCc1ccccc1 MC437715 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS20449 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.27 NNC(=O)OCc1ccccc1 MC438484 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS19947 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O MC445160 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O MC20809 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CS18803 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC20764 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O MC439076 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.43 NC(Cc1ccccn1)C(=O)O MC427345 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438142 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.43 NC(Cc1ccccn1)C(=O)O MC438143 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.43 NC(Cc1ccccn1)C(=O)O MC439075 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.43 NC(Cc1cccnc1)C(=O)O MC438144 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.43 NC(Cc1ccncc1)C(=O)O MC439080 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 MC437778 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,1,0,0,0,0|0,0,1]=3 203 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [1,1,0,0,0,0|1,0,0]=3 205 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS20300 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 CS17400 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.125 O=C(O)CCN1C=CC=CC1=O CS12670 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 MC106617 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.125 O=C(O)CNc1ccccc1Cl MC439220 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CS21739 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS22530 [0,1,0,0,1,0|2,0,0]=4 217 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,1,0,0,1,0|1,0,1]=4 218 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 MC20892 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,1,0,0,1,0|1,0,0]=3 220 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,1,0,0,1,0|0,0,0]=2 221 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 MC427407 [0,1,0,0,1,0|1,0,0]=3 222 B12R1.4 COC1=CC=C(NC(C)=S)C=C1 MC427413 [0,1,0,0,1,0|1,1,0]=4 223 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 MC40014 [0,1,0,0,1,0|2,0,0]=4 224 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS18357 [0,1,0,0,1,0|2,0,0]=4 225 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CS16100 [0,1,0,0,1,0|2,0,0]=4 226 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 MC40138 [0,1,0,0,1,0|2,0,0]=4 227 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 MC40152 [0,1,0,0,1,0|2,0,0]=4 228 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 MC431953 [0,1,0,0,1,0|1,0,1]=4 229 B12R1.19 CC(=O)Nc1ccc(C)c(C)c1 MC40962 [0,1,0,0,1,0|2,0,0]=4 230 B12R1.19 CC(=O)Nc1ccc(F)c(F)c1 MC40961 [0,1,0,0,1,0|2,0,0]=4 231 B12R1.19 CC(=O)OC1=CC(C)=C(Cl)C=C1 MC40003 [0,1,0,0,1,0|2,0,0]=4 232 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 MC40151 [0,1,0,0,1,0|2,0,0]=4 233 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC21107 [0,1,0,0,1,0|2,0,0]=4 234 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC433950 [0,1,0,0,1,0|2,0,0]=4 235 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 CS18834 [0,1,0,0,1,0|2,0,0]=4 236 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 MC40146 [0,1,0,0,1,0|1,0,0]=3 237 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 CS20693 [0,1,0,0,1,0|2,0,0]=4 238 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS10724 [0,1,0,0,1,0|2,0,0]=4 239 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 CS12651 [0,1,0,0,1,0|2,0,0]=4 240 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 CS22756 [0,1,0,0,1,0|2,0,0]=4 241 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 MC40163 [0,1,0,0,1,0|2,0,0]=4 242 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 MC40167 [0,1,0,0,1,0|1,0,0]=3 243 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,1,0,0,1,0|2,0,0]=4 245 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 CS20887 [0,1,0,0,1,0|2,0,0]=4 246 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS10846 [0,1,0,0,1,0|2,0,0]=4 247 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS15576 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS19207 [0,1,0,0,1,0|2,0,0]=4 249 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC20331 [0,1,0,0,1,0|2,0,0]=4 250 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429561 [0,1,0,0,1,0|2,0,0]=4 251 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429563 [0,1,0,0,1,0|2,0,0]=4 252 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS21023 [0,1,0,0,1,0|1,0,0]=3 253 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 MC40142 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 MC115598 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.20 O=C(O)C(O)c1ccc(Br)cc1 MC115599 [0,1,0,0,1,0|2,0,0]=4 258 B12R1.233 CC(=O)NC1=C(Cl)C=C(F)C=C1 MC33128 [0,1,0,0,1,0|2,0,0]=4 259 B12R1.233 CC(=O)NC1=C(O)C=C(F)C=C1 MC427191 [0,1,0,0,1,0|2,0,0]=4 260 B12R1.233 CC(=O)Nc1ccc(Cl)cc1F MC40956 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 MC107511 [0,1,0,0,1,0|2,0,0]=4 262 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 MC106320 [0,1,0,0,1,0|2,0,0]=4 263 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 CS12730 [0,1,0,0,1,0|2,0,0]=4 264 B12R1.233 NC1=C(CC(=O)O)C=CC(F)=C1 MC429495 [0,1,0,0,1,0|2,0,0]=4 265 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 MC433931 [0,1,0,0,1,0|2,0,0]=4 266 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS19112 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS15278 [0,1,0,0,1,0|2,0,0]=4 268 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CS16319 [0,1,0,0,1,0|2,0,0]=4 269 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS10717 [0,1,0,0,1,0|2,0,0]=4 270 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 CS20709 [0,1,0,0,1,0|2,0,0]=4 271 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CS19772 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 MC40156 [0,1,0,0,1,0|2,0,0]=4 273 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 MC10349 [0,1,0,0,1,0|2,0,0]=4 274 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 MC432599 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 MC429494 [0,1,0,0,1,0|2,0,0]=4 276 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 CS21951 [0,1,0,0,0,1|1,0,0]=3 277 B14R1.4 COC1=CC=C(CCCC(N)=O)C=C1 MC10354 [0,1,0,0,0,1|1,0,0]=3 278 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS11453 [0,1,0,0,0,1|1,0,0]=3 279 B14R1.131 CS(=O)(=O)CCOC1=CC=C(N)C=C1 MC112118 [0,1,0,0,0,1|2,0,0]=4 280 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 MC442744 [0,1,0,0,0,1|2,0,0]=4 281 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 MC425748 [0,1,0,0,0,1|2,0,0]=4 282 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 CS10065 [0,1,0,0,0,1|2,0,0]=4 283 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 MC437767 [0,1,0,0,0,1|1,0,1]=4 284 B14R1.679 NC(CCc1ccc(O)cc1)C(=O)O MC439117 [0,1,0,0,0,1|1,0,0]=3 285 B14R1.698 CC1=CC=C(CC(=O)CC(=O)Cl)C=C1 MC106003 [0,1,0,0,0,1|2,0,0]=4 286 B14R1.698 CC1=CC=C(CC(=O)CC(=O)O)C=C1 MC105951 [0,1,0,0,0,1|2,0,0]=4 287 B14R1.698 NC(CC(=O)O)Cc1ccc(Br)cc1 MC439405 [0,1,0,0,0,1|2,0,0]=4 288 B14R1.698 O=C(Cl)CC(=O)CC1=CC=C(Cl)C=C1 MC105997 [0,1,0,0,0,1|2,0,0]=4 289 B14R1.698 O=C(Cl)CC(=O)CC1=CC=C(F)C=C1 MC106000 [0,1,0,0,0,1|2,0,0]=4 290 B14R1.698 O=C(O)CC(=O)CC1=CC=C(Cl)C=C1 MC105945 [0,1,0,0,0,1|2,0,0]=4 291 B14R1.698 O=C(O)CC(=O)CC1=CC=C(F)C=C1 MC105948 [0,1,0,0,0,1|2,0,0]=4 292 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 MC438286 [0,2,0,0,0,0|1,0,0]=3 293 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 CS11953 [0,2,0,0,0,0|2,0,0]=4 294 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 CS20083 [0,2,0,0,0,0|2,0,0]=4 295 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC438287 [0,2,0,0,0,0|1,0,0]=3 296 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC438288 [0,2,0,0,0,0|1,0,0]=3 297 B14R1.3 COc1ccc(CC(N)C(=O)O)cc1 MC439364 [0,2,0,0,0,0|1,0,0]=3 298 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 CS14056 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.3 N#Cc1ccc(CC(N)C(=O)O)cc1 MC436870 [0,2,0,0,0,0|2,0,0]=4 300 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 MC430364 [0,2,0,0,0,0|0,0,2]=4 301 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 CS12436 [0,2,0,0,0,0|1,0,1]=4 302 B14R1.142 [N-]=[N+]=NC1=CC=C(CCC(=O)O)C=C1 MC436286 [0,2,0,0,0,0|2,0,0]=4 303 B14R1.419 CC(=O)OCc1ccc(C(=O)O)cc1 MC439214 [0,2,0,0,0,0|1,0,0]=3 304 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 MC433970 [0,2,0,0,0,0|1,0,1]=4 305 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 MC429575 [0,2,0,0,0,0|1,0,1]=4 306 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 MC438272 [0,2,0,0,0,0|0,0,0]=2 307 B14R1.134 COC(=O)C(N)Cc1ccc(Br)cc1 MC439351 [0,2,0,0,0,0|1,0,0]=3 308 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436858 [0,2,0,0,0,0|1,0,0]=3 309 B14R1.134 COC(=O)C(N)Cc1ccc(Cl)cc1 MC436859 [0,2,0,0,0,0|1,0,0]=3 310 B14R1.134 COC(=O)C(N)Cc1ccc(F)cc1 MC437014 [0,2,0,0,0,0|1,0,0]=3 311 B14R1.134 COC(=O)C(N)Cc1ccc(F)cc1 MC437015 [0,2,0,0,0,0|1,0,0]=3 312 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 CS14225 [0,2,0,0,0,0|0,0,0]=2 313 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 MC438273 [0,2,0,0,0,0|0,0,0]=2 314 B14R1.134 COC(=O)C(N)Cc1ccc(O)cc1 MC438274 [0,2,0,0,0,0|0,0,0]=2 315 B14R1.293 CNS(=O)(=O)CCC1=CC=C(N)C=C1 MC113227 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [0,2,0,0,0,0|1,0,0]=3 317 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [0,2,0,0,0,0|1,0,0]=3 318 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [0,2,0,0,0,0|1,0,0]=3 319 B14R1.502 CCOC(=O)CCC1=CC=C(N)N=C1 MC429710 [0,2,0,0,0,0|2,0,0]=4 320 B14R1.502 CCOC(=O)CSC1=CC=C(O)C=C1 MC120175 [0,2,0,0,0,0|1,0,0]=3 321 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [0,2,0,0,0,0|0,0,2]=4 322 B14R1.132 CC(=O)C(Br)C(Br)C1=CC=C(Cl)C=C1 MC119319 [0,2,0,0,0,0|1,0,0]=3 323 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 MC20860 [0,2,0,0,0,0|2,0,0]=4 324 B14R1.1019 NCC(CC(=O)O)c1ccc(Cl)cc1 MC34428 [0,2,0,0,0,0|2,0,0]=4 325 B14R1.6048 CC(CC(=O)O)C1=C(F)C=C(F)C=C1 MC112323 [0,2,0,0,0,0|2,0,0]=4 326 B14R1.536 CNC(CC1=CC=C(O)C=C1)C(=O)O MC435517 [0,2,0,0,0,0|1,0,0]=3 327 B14R1.536 CNC(CC1=CC=C(O)C=C1)C(N)=O MC107118 [0,2,0,0,0,0|1,0,0]=3 328 B14R1.536 CNC(Cc1ccc(O)cc1)C(=O)O MC437982 [0,2,0,0,0,0|1,0,0]=3 329 B14R1.536 CNC(Cc1ccc(O)cc1)C(=O)O MC437983 [0,2,0,0,0,0|1,0,0]=3 330 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O CS21667 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.686 NC(CC1=CC(Cl)=C(Cl)C=C1)C(=O)O CS21669 [0,2,0,0,0,0|2,0,0]=4 332 B14R1.686 NC(CC1=CC(I)=C(O)C=C1)C(=O)O MC437808 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.686 NC(Cc1ccc(F)c(F)c1)C(=O)O MC439341 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.686 NC(Cc1ccc(O)c(Cl)c1)C(=O)O MC439088 [0,2,0,0,0,0|1,0,0]=3 335 B14R1.686 NC(Cc1ccc(O)c(Cl)c1)C(=O)O MC439097 [0,2,0,0,0,0|1,0,0]=3 336 B14R1.686 Nc1cc(CC(N)C(=O)O)ccc1O MC436191 [0,2,0,0,0,0|1,0,0]=3 337 B14R1.6049 Cc1ccc(CC(N)C(=O)O)c(C)c1 MC439344 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.6049 Cc1ccc(CC(N)C(=O)O)c(C)c1 MC439345 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.6049 NC(CC1=C(Cl)C=C(Cl)C=C1)C(=O)O CS13525 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.6049 NC(Cc1ccc(Cl)cc1Cl)C(=O)O MC439280 [0,2,0,0,0,0|2,0,0]=4 341 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O CS16851 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.7626 CC(N)(Cc1ccc(F)cc1)C(=O)O MC437010 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.7626 CC(N)(Cc1ccc(F)cc1)C(=O)O MC437011 [0,2,0,0,0,0|2,0,0]=4 344 B14R1.3152 CC(=O)OCC1=C(Br)C=C(F)C=C1I MC111660 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.6036 O=C(O)CCC1=C(F)C=C(F)C(F)=C1 MC429491 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 MC106644 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 MC41849 [0,2,0,0,0,0|0,0,2]=4 348 B12R2.24 BrC1=CC=C2CCCCC2=C1 CS16753 [1,0,0,1,0,0|1,0,1]=4 349 B12R2.24 BrC1=CC=C2CCNCC2=C1 CS19606 [1,0,0,1,0,0|2,0,0]=4 350 B12R2.24 BrC1=CC=C2CCOCC2=C1 CS16547 [1,0,0,1,0,0|2,0,0]=4 351 B12R2.24 CC1=CC=C2CCCCC2=C1 CS10746 [1,0,0,1,0,0|1,0,1]=4 352 B12R2.24 CC1=CC=C2CCNCC2=C1 CS18155 [1,0,0,1,0,0|2,0,0]=4 353 B12R2.24 NC1=CC=C2CCNCC2=C1 MC443158 [1,0,0,1,0,0|2,0,0]=4 354 B12R2.24 OC1=CC2=C(C=C1)CCCC2 CS13514 [1,0,0,1,0,0|0,0,1]=3 355 B12R2.24 OC1=CC2=C(CCNC2)N=C1 MC100128 [1,0,0,1,0,0|2,0,0]=4 356 B12R2.24 OC1=CC=C2CCCNC2=C1 CS10898 [1,0,0,1,0,0|1,0,1]=4 357 B12R2.24 OC1=CC=C2CCNCC2=C1 CS17696 [1,0,0,1,0,0|1,0,0]=3 358 B12R2.24 OC1=CC=C2CNCCC2=C1 CS18391 [1,0,0,1,0,0|1,0,1]=4 359 B12R2.24 OC1=CC=C2NCCCC2=C1 CS18990 [1,0,0,1,0,0|1,0,1]=4 360 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 MC446759 [1,0,0,1,0,0|1,0,0]=3 361 B12R2.132 CC1=CNC2=CC=C(O)C=C12 CS14814 [1,0,0,1,0,0|1,0,1]=4 362 B12R2.132 CC1=NNC2=CC=C(O)C=C21 MC441356 [1,0,0,1,0,0|2,0,0]=4 363 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 MC446750 [1,0,0,1,0,0|1,0,0]=3 364 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC104168 [1,0,0,1,0,0|1,0,1]=4 365 B12R2.132 NC1CCC2=CC=C(O)C=C21 MC105334 [1,0,0,1,0,0|1,0,1]=4 366 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 CS18733 [1,0,0,1,0,0|1,0,0]=3 367 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS13722 [1,0,0,1,0,0|1,0,0]=3 368 B12R2.132 O=C1CCC2=CC=C(F)C=C12 MC429567 [1,0,0,1,0,0|1,0,0]=3 369 B12R2.132 O=C1CCC2=CC=C(I)C=C12 CS19840 [1,0,0,1,0,0|1,0,0]=3 370 B12R2.132 O=C1CCC2=CC=C(O)C=C12 CS15371 [1,0,0,1,0,0|0,0,0]=2 371 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS18239 [1,0,0,1,0,0|2,0,0]=4 372 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 MC428126 [1,0,0,1,0,0|2,0,0]=4 373 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [1,0,0,1,0,0|2,0,0]=4 374 B12R2.132 O=C1COC2=C1C=C(I)C=C2 MC100482 [1,0,0,1,0,0|2,0,0]=4 375 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 CS14261 [1,0,0,1,0,0|2,0,0]=4 376 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 CS12535 [1,0,0,1,0,0|2,0,0]=4 377 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 MC102461 [1,0,0,1,0,0|2,0,0]=4 378 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [1,0,0,1,0,0|1,0,1]=4 379 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [1,0,0,1,0,0|1,0,1]=4 380 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [1,0,0,1,0,0|1,0,1]=4 381 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,1,0,0|0,0,0]=2 382 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [0,0,0,1,1,0|0,0,2]=4 383 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS21722 [0,0,0,1,1,0|2,0,0]=4 384 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [0,0,0,1,1,0|2,0,0]=4 385 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 CS15472 [0,0,0,1,1,0|2,0,0]=4 386 B12R2.606 CC1=NC2=C(C=C(O)C=C2)N1 MC425565 [0,0,0,1,1,0|2,0,0]=4 387 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 MC427398 [0,0,0,1,1,0|1,0,1]=4 388 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 MC427474 [0,0,0,1,1,0|1,1,0]=4 389 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS16740 [0,0,0,1,1,0|2,0,0]=4 390 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [0,0,0,1,1,0|2,0,0]=4 391 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC427120 [0,0,0,1,1,0|2,0,0]=4 392 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC446685 [0,0,0,1,1,0|2,0,0]=4 393 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 CS22042 [0,0,0,1,1,0|2,0,0]=4 394 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 CS22052 [0,0,0,1,1,0|2,0,0]=4 395 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [0,0,0,1,1,0|2,0,0]=4 396 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [0,0,0,1,1,0|2,0,0]=4 397 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [0,0,0,1,1,0|2,0,0]=4 398 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [0,0,0,1,1,0|2,0,0]=4 399 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 MC431580 [0,0,0,1,0,1|1,0,0]=3 400 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 MC111944 [0,0,0,1,0,1|2,0,0]=4 401 B14R2.5816 O=C(O)C1CCC2=CC=C(Cl)C=C21 CS16324 [0,0,0,1,0,1|2,0,0]=4 402 B14R2.134 COC1=CC=C2CCC(=O)NC2=C1 CS15545 [0,1,0,1,0,0|1,0,0]=3 403 B14R2.134 COC1=CC=C2CCC(N)CC2=C1 MC42041 [0,1,0,1,0,0|1,0,1]=4 404 B14R2.134 COC1=CC=C2OCC(=O)CC2=C1 MC442814 [0,1,0,1,0,0|1,0,0]=3 405 B14R2.134 N#CC1=CC=C2CCC(=O)NC2=C1 MC107651 [0,1,0,1,0,0|2,0,0]=4 406 B14R2.134 O=C1CSC2=C(C=C(CO)C=C2)N1 MC111089 [0,1,0,1,0,0|2,0,0]=4 407 B14R2.29365 O=C1CCC2=C(F)C=C(F)C=C2C1 MC425747 [0,1,0,1,0,0|1,0,0]=3 408 B14R2.4529 O=C(O)C1CC2=CC=C(Br)C=C2C1 MC446705 [0,1,0,1,0,0|2,0,0]=4 409 B14R2.4529 O=C(O)C1CC2=CC=C(F)C=C2C1 MC446704 [0,1,0,1,0,0|2,0,0]=4 410 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,1,0|1,0,0]=3 411 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,1,0|1,0,0]=3 412 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,1,0|1,0,0]=3 413 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [1,0,0,0,1,0|2,0,0]=4 414 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,1,0|1,0,0]=3 415 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,1,0|1,0,1]=4 416 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,0,0,1,0|2,0,0]=4 417 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,0,0,1,0|2,0,0]=4 418 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,0,0,1,0|2,0,0]=4 419 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,0,0,0,1,0|2,0,0]=4 420 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,0,0,1,0|2,0,0]=4 421 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,0,0,1,0|2,0,0]=4 422 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,0,0,1,0|2,0,0]=4 423 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,1,0|1,0,0]=3 424 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [1,0,0,0,1,0|2,0,0]=4 425 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [1,0,0,0,1,0|2,0,0]=4 426 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [1,0,0,0,1,0|2,0,0]=4 427 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,0,0,0,2,0|1,0,0]=3 428 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,0,0,0,2,0|1,0,0]=3 429 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,0,0,0,2,0|2,0,0]=4 430 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,0,0,0,2,0|1,0,0]=3 431 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,0,0,0,2,0|1,0,0]=3 432 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,0,0,0,2,0|2,0,0]=4 433 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,0,0,0,2,0|1,0,0]=3 434 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,0,0,0,2,0|2,0,0]=4 435 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,0,0,0,2,0|1,0,0]=3 436 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,0,0,0,2,0|0,0,0]=2 437 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,0,0,0,2,0|1,0,0]=3 438 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,0,0,0,2,0|2,0,0]=4 439 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,0,0,0,2,0|2,0,0]=4 440 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,0,0,0,2,0|2,0,0]=4 441 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,0,0,0,2,0|2,0,0]=4 442 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,0,0,0,2,0|2,0,0]=4 443 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,0,0,0,2,0|2,0,0]=4 444 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,0,0,0,2,0|1,0,0]=3 445 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,0,0,0,2,0|2,0,0]=4 446 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,0,0,0,2,0|2,0,0]=4 447 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,0,0,0,2,0|2,0,0]=4 448 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [0,0,0,0,2,0|2,0,0]=4 449 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [0,0,0,0,2,0|2,0,0]=4 450 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,0,0,0,2,0|2,0,0]=4 451 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [0,0,0,0,2,0|1,1,0]=4 452 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,0,0,0,2,0|2,0,0]=4 453 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,0,0,0,2,0|2,0,0]=4 454 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,0,0,0,2,0|2,0,0]=4 455 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,0,0,0,2,0|2,0,0]=4 456 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,0,0,0,2,0|2,0,0]=4 457 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,0,0,0,2,0|2,0,0]=4 458 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,0,0,0,2,0|2,0,0]=4 459 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,0,0,0,2,0|2,0,0]=4 460 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,0,0,0,2,0|2,0,0]=4 461 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,0,0,0,2,0|1,0,0]=3 462 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,0,0,0,2,0|2,0,0]=4 463 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,0,0,0,2,0|2,0,0]=4 464 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,0,0,0,2,0|2,0,0]=4 465 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,0,0,0,2,0|2,0,0]=4 466 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,0,0,0,2,0|2,0,0]=4 467 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [0,0,0,0,2,0|2,0,0]=4 468 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,0,0,0,0,1|0,0,0]=2 469 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [1,0,0,0,0,1|1,0,1]=4 470 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [1,0,0,0,0,1|0,0,2]=4 471 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [1,0,0,0,0,1|2,0,0]=4 472 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [1,0,0,0,0,1|1,1,0]=4 473 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [1,0,0,0,0,1|2,0,0]=4 474 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [1,0,0,0,0,1|1,0,0]=3 475 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [1,0,0,0,0,1|1,0,0]=3 476 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [1,0,0,0,0,1|2,0,0]=4 477 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [1,0,0,0,0,1|1,0,0]=3 478 B14R1.677 CC(=O)NCCOC1=CC=C(I)C=C1 MC112559 [0,0,0,0,0,2|1,0,0]=3 479 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 MC437973 [0,0,0,0,0,2|2,0,0]=4