0 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 CS14117 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8239 OC1=CC=C2C=C(Br)C(O)=CC2=C1 MC103324 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.8239 OC1=NC2=CC=C(Cl)C=C2N=C1O CS10664 [0,0,0,0,0,0|1,1,2]=4 3 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 CS19954 [1,0,0,0,0,0|2,1,0]=4 4 B13R2.155 CC1=CC=C2C=CC(Br)=CC2=C1 CS16063 [1,0,0,0,0,0|2,1,0]=4 5 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 MC440720 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS11293 [1,0,0,0,0,0|1,1,1]=4 7 B13R2.155 ClC1=NC2=CC(Br)=CC=C2C=C1 MC441086 [1,0,0,0,0,0|1,1,1]=4 8 B13R2.155 NC1=CC=C2C=CC(=O)N=C2N1 MC425450 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CS10778 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.155 NC1=NC2=CC(Br)=CC=C2C=C1 CS17134 [1,0,0,0,0,0|1,1,1]=4 11 B13R2.155 Nc1ccc2c(c1)NC(=O)CO2 MC41745 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 CS14788 [1,0,0,0,0,0|0,1,0]=2 13 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 CS16303 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.155 O=C1C=NC2=CC=C(F)C=C2N1 MC431055 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.155 O=C1CCC2=CC=C(Br)C=C2N1 MC106566 [1,0,0,0,0,0|0,1,2]=4 16 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 CS10802 [1,0,0,0,0,0|0,1,2]=4 17 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 CS21727 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 CS10626 [1,0,0,0,0,0|1,1,1]=4 19 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 MC442305 [1,0,0,0,0,0|1,1,1]=4 20 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 MC441074 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.155 OC1=CC2=CC(Br)=CC=C2C=C1 CS18626 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.155 OC1=CC2=CC(F)=CC=C2C=N1 CS16284 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.155 OC1=CC=C2C=CC(O)=NC2=C1 CS18652 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br CS11242 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 MC443422 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.369 ClC1=CC2=CC=CC=C2N=C1Cl CS15838 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.369 NC1=CC2=CC=CC=C2C=C1I MC431733 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.369 O=C1NC2=C(N=CC=C2)NC1=O MC107831 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.3683 BrC1=CC=C2C=C(Br)C=CC2=C1 MC426176 [1,0,0,0,0,0|2,1,0]=4 30 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 CS10734 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 MC41789 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.3683 ClC1=CC2=CC=C(Br)C=C2N=C1 MC115949 [1,0,0,0,0,0|1,1,1]=4 33 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 MC33106 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.3683 FC1=CC=C2N=C(Cl)C=NC2=C1 CS12214 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 MC41747 [1,0,0,0,0,0|2,1,0]=4 36 B13R2.3683 NC1=CC2=CC=C(Br)C=C2N=C1 MC113416 [1,0,0,0,0,0|1,1,1]=4 37 B13R2.3683 NC1=CC2=CC=C(F)C=C2C=C1 MC441034 [1,0,0,0,0,0|2,0,0]=3 38 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 CS13742 [1,0,0,0,0,0|1,1,0]=3 39 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 MC441106 [1,0,0,0,0,0|1,1,0]=3 40 B13R2.3683 OC1=CC2=CC=C(F)C=C2C=C1 MC441035 [1,0,0,0,0,0|1,0,0]=2 41 B13R2.3683 OC1=CC=C2N=C(O)C=CC2=C1 CS10985 [1,0,0,0,0,0|3,0,0]=4 42 B15R2.1754 NCC1=CC2=CC=C(F)C=C2NC1=O MC431500 [0,1,0,0,0,0|1,0,0]=2 43 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 MC443259 [0,1,0,0,0,0|2,0,1]=4 44 B15R2.21336 N#CC1=CC=C2CC(O)C(=O)NC2=C1 MC107640 [0,1,0,0,0,0|1,0,2]=4 45 B15R2.63893 CC1=C(Cl)C(=O)OC2=CC(O)=CC=C21 CS11268 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.148 NC(=S)C(=O)NC1=CC(Cl)=CC=C1 MC430685 [0,0,1,0,0,0|1,2,0]=4 47 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 CS10988 [0,0,0,0,1,0|2,0,1]=4 48 B13R2.3028 CC1Cc2ccc(F)cc2C1=O MC30019 [0,0,0,0,1,0|1,0,2]=4 49 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O CS22039 [0,0,0,0,1,0|1,1,1]=4 50 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O CS10615 [0,0,0,0,1,0|1,1,1]=4 51 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O CS22060 [0,0,0,0,1,0|1,0,1]=3 52 B13R2.5190 CC1C(=O)NC2=CC(Br)=CC=C21 MC111737 [0,0,0,0,1,0|1,1,1]=4 53 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O CS15400 [0,0,0,0,1,0|0,1,1]=3 54 B13R2.5190 O=C1NC2=CC(Cl)=CC=C2C1=O CS10616 [0,0,0,0,1,0|0,1,1]=3 55 B13R2.5190 O=C1NC2=CC(F)=CC=C2C1=O CS10704 [0,0,0,0,1,0|0,0,1]=2 56 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [1,0,1,0,0,0|1,1,0]=4 57 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [1,0,1,0,0,0|1,1,0]=4 58 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [1,0,1,0,0,0|1,1,0]=4 60 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [1,0,1,0,0,0|1,0,0]=3 61 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 MC41593 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 MC107629 [1,0,1,0,0,0|1,0,0]=3 64 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 CS10976 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 MC40216 [1,0,1,0,0,0|2,0,0]=4 66 B12R1.127 CC(=O)Nc1cc(F)ccc1F MC40960 [1,0,1,0,0,0|1,0,1]=4 67 B12R1.127 CC1=C(CC(=O)O)C=C(F)C=C1 MC40172 [1,0,1,0,0,0|1,0,1]=4 68 B12R1.127 O=C(O)CC1=C(Br)C=CC(F)=C1 MC40144 [1,0,1,0,0,0|2,0,0]=4 69 B12R1.127 O=C(O)CC1=C(Cl)C=CC(F)=C1 CS21465 [1,0,1,0,0,0|2,0,0]=4 70 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 CS20739 [1,0,1,0,0,0|2,0,0]=4 71 B12R1.233 NC1=C(CC(=O)O)C=CC(F)=C1 MC429495 [1,0,1,0,0,0|0,0,1]=3 72 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS15278 [1,0,1,0,0,0|1,0,1]=4 73 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 CS20709 [1,0,1,0,0,0|1,0,1]=4 74 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 MC10349 [1,0,1,0,0,0|1,0,1]=4 75 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 MC432599 [1,0,1,0,0,0|1,0,1]=4 76 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 MC429494 [1,0,1,0,0,0|1,0,1]=4 77 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [2,0,0,0,0,0|1,1,0]=4 78 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [2,0,0,0,0,0|0,1,1]=4 80 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [2,0,0,0,0,0|1,0,1]=4 81 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [2,0,0,0,0,0|1,0,1]=4 84 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [2,0,0,0,0,0|1,0,1]=4 85 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [2,0,0,0,0,0|0,1,1]=4 86 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [2,0,0,0,0,0|1,0,1]=4 87 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [2,0,0,0,0,0|2,0,0]=4 90 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [2,0,0,0,0,0|2,0,0]=4 91 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [2,0,0,0,0,0|1,0,1]=4 92 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [2,0,0,0,0,0|1,0,1]=4 93 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [2,0,0,0,0,0|1,0,1]=4 94 B12R2.24 O=C1C=CC2=CN=CC=C2N1 MC442445 [2,0,0,0,0,0|1,0,0]=3 95 B12R2.24 O=C1C=CC2=NC=CN=C2N1 CS12516 [2,0,0,0,0,0|2,0,0]=4 96 B12R2.24 O=C1C=NC2=C(N=CC=C2)N1 CS17925 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [2,0,0,0,0,0|0,0,2]=4 98 B12R2.24 O=C1COC2=C(C=CC=C2)N1 CS21568 [2,0,0,0,0,0|1,0,1]=4 99 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [2,0,0,0,0,0|1,0,0]=3 100 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [2,0,0,0,0,0|0,0,1]=3 101 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [2,0,0,0,0,0|1,0,1]=4 102 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [2,0,0,0,0,0|2,0,0]=4 103 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [2,0,0,0,0,0|2,0,0]=4 104 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [2,0,0,0,0,0|1,0,1]=4 105 B14R2.134 N#CC1=CC=C2C=CC(=O)NC2=C1 CS15130 [1,1,0,0,0,0|1,0,0]=3 106 B14R2.4513 CC1=NC2=C(F)C(F)=CC=C2C=C1 MC111416 [1,1,0,0,0,0|1,0,1]=4 107 B14R2.4513 CN1C(=O)C=NC2=CC=C(Br)C=C21 CS12497 [1,1,0,0,0,0|1,1,0]=4 108 B14R2.4513 FC1=CC=C2C=CC(Cl)=NC2=C1Br MC113860 [1,1,0,0,0,0|1,0,1]=4 109 B14R2.4513 OC1=CC2=C(F)C(F)=CC=C2C=C1 MC114837 [1,1,0,0,0,0|1,0,1]=4 110 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 CS11356 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.29365 CC1=CC(=O)OC2=CC(S)=CC=C12 MC443166 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.29365 NC1=CC=C2C(=O)NC(=O)NC2=C1 CS15875 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.29365 O=C1C=CC2=C(O)C=C(O)C=C2O1 CS10182 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.29365 O=C1NC(=O)C2=CC=C(Br)C=C2N1 CS12898 [1,1,0,0,0,0|1,1,0]=4 115 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 CS12315 [1,1,0,0,0,0|1,1,0]=4 116 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 MC20649 [1,1,0,0,0,0|1,1,0]=4 117 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [1,1,0,0,0,0|1,0,0]=3 118 B14R2.2332 COC1=CC2=CC=C(Br)C=C2N=C1 CS17260 [1,1,0,0,0,0|0,1,1]=4 119 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 CS11560 [1,1,0,0,0,0|1,1,0]=4 120 B14R2.2332 N#CC1=CC2=CC=C(O)C=C2C=C1 CS11544 [1,1,0,0,0,0|2,0,0]=4 121 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 CS10087 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.8235 OC1=CC2=C(F)C=C(Br)C=C2C=C1 MC100565 [1,1,0,0,0,0|1,1,0]=4 123 B14R2.645 O=C1NC2=CC(F)=C(F)C=C2C1=O CS19352 [0,1,0,0,1,0|1,0,1]=4 124 B14R2.4506 O=C1NC2=CC=C(F)C(Cl)=C2C1=O MC107808 [0,1,0,0,1,0|1,0,1]=4 125 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 CS10720 [0,1,0,0,1,0|1,0,1]=4 126 B14R2.8737 Cc1ccc2c(c1F)NC(=O)C2=O MC433922 [0,1,0,0,1,0|1,0,1]=4 127 B14R2.27750 O=C1NC2=CC(Cl)=CC(Cl)=C2C1=O CS13871 [0,1,0,0,1,0|0,1,1]=4 128 B14R2.27750 O=C1NC2=CC(F)=CC(F)=C2C1=O CS13577 [0,1,0,0,1,0|0,0,1]=3 129 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 MC441314 [0,0,1,1,0,0|2,0,0]=4 130 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 MC114702 [0,0,1,1,0,0|1,1,0]=4 131 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 MC441313 [0,0,1,1,0,0|1,1,0]=4 132 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 MC114912 [0,0,1,1,0,0|1,0,0]=3 133 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 MC20055 [0,0,1,1,0,0|2,0,0]=4 134 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS14286 [0,0,1,1,0,0|2,0,0]=4 135 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O MC41763 [0,0,1,1,0,0|1,0,1]=4 136 B12R2.132 CC1=COC2=C1C=C(F)C=C2 MC427320 [1,0,0,0,1,0|2,0,0]=4 137 B12R2.132 CC1=CSC2=C1C=C(F)C=C2 MC441869 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.132 O=C1CCC2=CC=C(F)C=C12 MC429567 [1,0,0,0,1,0|0,0,2]=4 139 B12R2.132 O=C1COC2=C1C=C(F)C=C2 MC113784 [1,0,0,0,1,0|1,0,1]=4 140 B12R2.132 O=C1NOC2=C1C=C(F)C=C2 CS16834 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.606 CC1=CC2=CC=C(Cl)C=C2N1 CS12813 [1,0,0,0,1,0|1,1,0]=4 142 B12R2.606 CC1=CC2=CC=C(F)C=C2N1 MC103158 [1,0,0,0,1,0|1,0,0]=3 143 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 CS15359 [1,0,0,0,1,0|2,0,0]=4 144 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [1,0,0,0,1,0|1,0,1]=4 145 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS10376 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [1,0,0,0,1,0|2,0,0]=4 147 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [1,0,0,0,1,0|1,0,1]=4 148 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [1,0,0,0,1,0|0,1,1]=4 150 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [1,0,0,0,1,0|0,1,1]=4 151 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [1,0,0,0,1,0|0,0,1]=3 152 B12R2.606 O=C1CC2=NC=C(F)C=C2N1 MC111563 [1,0,0,0,1,0|1,0,1]=4 153 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 CS18286 [1,0,0,0,1,0|1,1,0]=4 154 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 CS10315 [1,0,0,0,1,0|1,1,0]=4 155 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 MC425675 [1,0,0,0,1,0|1,0,0]=3 156 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 MC31175 [1,0,0,0,1,0|2,0,0]=4 157 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 MC101888 [1,0,0,0,1,0|1,1,0]=4 158 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [1,0,0,0,1,0|1,1,0]=4 159 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [1,0,0,0,1,0|0,0,1]=3 160 B12R2.612 CC1=NNC2=CC(F)=CC=C21 MC441188 [1,0,0,0,1,0|2,0,0]=4 161 B12R2.612 FC1=CC=C2C(=C1)NN=C2Br CS13210 [1,0,0,0,1,0|2,0,0]=4 162 B12R2.612 FC1=CC=C2C(=C1)NN=C2I MC441881 [1,0,0,0,1,0|2,0,0]=4 163 B12R2.612 FC1=CC=C2C(Br)=CNC2=C1 MC430126 [1,0,0,0,1,0|1,0,0]=3 164 B12R2.612 FC1=CC=C2C(I)=CNC2=N1 CS15615 [1,0,0,0,1,0|2,0,0]=4 165 B12R2.612 O=C1NNC2=CC(F)=CC=C12 CS10702 [1,0,0,0,1,0|1,0,1]=4 166 B12R2.612 OC1=NNC2=CC(Br)=CC=C21 CS10623 [1,0,0,0,1,0|1,1,0]=4 167 B14R1.5978 O=C(O)CC(=O)CC1=CC(F)=CC=C1 MC105949 [0,0,1,0,0,1|2,0,0]=4