0 B14R2.112 BrCCC1=CC2=CC=CC=C2C=C1 W17006 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.112 C=CCC1=NC2=CC=CC=C2C=C1 D93767 [0,0,0,0,0,0|2,0,2]=4 2 B14R2.112 CNCC1=CC=C2N=CC=CC2=C1 29914 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.112 ClCCC1=CC2=CC=CC=C2N=C1 D80777 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.112 NCCC1=NC2=CC=CC=C2C=C1 83238 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.57 BrCC1=CC2=CC=CN=C2C=C1 O11502 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.57 BrCC1=CC2=CC=NC=C2C=C1 78906 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.57 BrCC1=CC2=NC=CN=C2C=C1 36024 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.57 BrCC1=NC2=CC=CC=C2N=C1 68628 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.57 C#CC1=CC2=CC=CC=C2N=C1 D76283 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.57 C#CC1=CC=C2N=CC=CC2=C1 C76516 [1,0,0,0,0,0|1,0,2]=4 11 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 80295 [1,0,0,0,0,0|1,0,2]=4 12 B13R2.57 COC1=CC2=CC=NC=C2C=N1 66261 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.57 COC1=CC2=NC=CC=C2C=C1 31891 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.57 COC1=NC2=CC=CC=C2C=C1 W11244 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.57 ClCC1=CC2=CC=CC=C2C=N1 C72814 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.57 ClCC1=CC2=CC=CN=C2C=C1 70964 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 S11826 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.57 N#CC1=CC2=NC=CC=C2C=C1 79349 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 27594 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 C73130 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 C15569 [1,0,0,0,0,0|2,0,0]=3 22 B13R2.57 NCC1=CC=C2C=CC=NC2=C1 78919 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.57 NCC1=CC=C2C=NC=CC2=C1 79154 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.57 NCC1=CC=C2N=CC=NC2=C1 24418 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 78918 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.57 O=CC1=CC2=CC=NC=C2C=C1 AT15535 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.57 O=CC1=CC2=CN=CC=C2C=C1 26625 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.57 O=CC1=CC2=NC=CC=C2C=C1 24417 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.57 OCC1=CC2=CC=NC=C2C=C1 24141 [1,0,0,0,0,0|2,0,0]=3 30 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 BL002914 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.57 OCC1=NC2=CC=CC=C2N=C1 68418 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.352 CCCCC1=CC2=CC=CC=C2C=C1 73799 [0,1,0,0,0,0|1,0,0]=2 33 B15R2.352 O=CCCC1=CC2=CC=CN=C2C=C1 F52595 [0,1,0,0,0,0|2,0,1]=4 34 B15R2.886 N#CCC1=CC2=CC=CC=C2C(Br)=C1 A11258 [0,1,0,0,0,0|2,0,1]=4 35 B15R2.1282 CCOC1=CC=C2C=CC(Br)=CC2=N1 D82702 [0,1,0,0,0,0|1,0,0]=2 36 B15R2.1290 CCOC1=CC2=C(O)C=CN=C2C=C1 N16917 [0,1,0,0,0,0|1,0,0]=2 37 B15R2.1290 CCOC1=CC=C2N=CN=C(Cl)C2=C1 O11219 [0,1,0,0,0,0|2,0,0]=3 38 B15R2.1601 C=CC(=O)C1=CC2=CC=CC=C2C=C1 42547 [0,1,0,0,0,0|1,0,2]=4 39 B15R2.1601 CCC(=O)C1=CC2=CC=CC=C2C=C1 Y11687 [0,1,0,0,0,0|1,0,0]=2 40 B15R2.1601 CC[C@H](N)C1=CC2=CC=CC=C2C=C1 N10725 [0,1,0,0,0,0|1,0,0]=2 41 B15R2.1601 CC[C@H](N)C1=CC2=CC=CC=C2C=C1 N10727 [0,1,0,0,0,0|1,0,0]=2 42 B15R2.1601 CC[C@H](N)C1=CC2=CC=CC=C2C=C1 Y11453 [0,1,0,0,0,0|1,0,0]=2 43 B15R2.1601 CC[C@H](N)C1=CC2=CC=CC=C2C=C1 Y12038 [0,1,0,0,0,0|1,0,0]=2 44 B15R2.1601 CC[C@H](N)C1=CC2=CC=CC=C2C=C1 Y12599 [0,1,0,0,0,0|1,0,0]=2 45 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 52869 [0,1,0,0,0,0|3,0,0]=4 46 B15R2.1601 COC(=O)C1=CC2=NC=CC=C2C=C1 89034 [0,1,0,0,0,0|3,0,0]=4 47 B15R2.1601 NNC(=S)C1=CC2=CC=CC=C2C=C1 W10980 [0,1,0,0,0,0|3,0,0]=4 48 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CC=C2C=C1 Y10871 [0,1,0,0,0,0|2,0,0]=3 49 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CC=C2C=C1 Y11234 [0,1,0,0,0,0|2,0,0]=3 50 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CC=C2C=C1 Y12178 [0,1,0,0,0,0|2,0,0]=3 51 B15R2.1601 O=CC(=O)C1=CC2=CC=CC=C2C=C1 23347 [0,1,0,0,0,0|2,0,1]=4 52 B15R2.1668 CC(=O)NC1=CC2=CC=CN=C2C=C1 F14237 [0,1,0,0,0,0|2,0,1]=4 53 B15R2.1668 C\[N+]([O-])=C/C1=CC2=CC=CC=C2C=C1 W19715 [0,1,0,0,0,0|2,0,0]=3 54 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 S10100 [0,1,0,0,0,0|1,0,0]=2 55 B15R2.1668 FC(F)OC1=CC2=CN=CC=C2C=C1 D80119 [0,1,0,0,0,0|2,0,0]=3 56 B15R2.2220 CCCC1=C(O)C2=NC=CC=C2C=C1 T72660 [0,1,0,0,0,0|2,0,0]=3 57 B15R2.10252 CCOC1=CC2=CC=C(N)C=C2C=C1 F17462 [0,1,0,0,0,0|0,0,0]=1 58 B15R2.10252 CCOC1=CC=C2C=C(Br)C=CC2=N1 D84758 [0,1,0,0,0,0|1,0,0]=2 59 B15R2.10252 CCOC1=CC=C2C=C(Br)C=NC2=C1 K10021 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 AB11211 [0,0,1,0,0,0|2,0,1]=4 61 B13R1.470 CCOC(=O)CC1=C(N)C=CC=C1 AB21211 [0,0,1,0,0,0|2,0,1]=4 62 B13R2.1 COCC1=CNC2=C1C=CC=C2 A12849 [0,0,0,0,1,0|3,0,0]=4 63 B13R2.26 CCSC1=NC2=C(C=CC=C2)N1 60969 [0,0,0,0,1,0|2,1,0]=4 64 B13R2.26 NCCC1=CC2=C(C=CC=C2)N1 F13295 [0,0,0,0,1,0|3,0,0]=4 65 B13R2.449 CCOC1=NC2=C(C=C1)NN=C2 F30979 [0,0,0,0,1,0|3,0,0]=4 66 B13R2.449 CNCC1=CC2=C(C=C1)NC=C2 72169 [0,0,0,0,1,0|3,0,0]=4 67 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.78 C=CC1=C(OC)C=CC(OC)=C1 F18407 [1,0,1,0,0,0|1,0,1]=4 69 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 11674 [1,0,1,0,0,0|2,0,0]=4 70 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 BL002815 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 CC1=CC=C2C=NN=CC2=C1 T72939 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 24371 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 FC1=CC2=CC=CC=C2N=C1 F30311 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 FC1=CC2=CN=CC=C2C=C1 90642 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 IC1=CC2=CC=CC=C2N=C1 AB9519 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 NC1=CC=C2C=CC=NC2=C1 32470 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 NC1=CC=C2C=CN=CC2=C1 24616 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 OC1=CC2=NC=CN=C2C=C1 W16762 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.24 OC1=NC2=CC=CN=C2C=C1 68775 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.24 OC1=NC2=CN=CC=C2C=C1 F30771 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.24 SC1=CC2=CC=CC=C2N=C1 D83175 [2,0,0,0,0,0|1,1,0]=4 84 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [2,0,0,0,0,0|0,0,1]=3 85 B14R1.32 CCNC(=O)\C=C\C1=CC=CC(Br)=C1 A12667 [0,1,1,0,0,0|2,0,0]=4 86 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 50749 [0,1,1,0,0,0|1,0,0]=3 87 B14R1.32 CCOC(=O)\C=C\C1=CC(O)=CC=C1 W15436 [0,1,1,0,0,0|1,0,0]=3 88 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Cl)=C1 A10035 [0,1,1,0,0,0|1,0,0]=3 89 B14R1.502 CCOC(=O)\C=C\C1=CN=C(N)C=C1 Y11005 [0,1,1,0,0,0|2,0,0]=4 90 B14R1.598 CCOC(=O)\C=C\C1=C(Cl)C=CC=C1 AB7167 [0,1,1,0,0,0|1,0,0]=3 91 B14R1.3348 CCOC(=O)C(=O)C1=C(Br)C=CC=C1 21190 [0,1,1,0,0,0|2,0,0]=4 92 B14R2.92 BrCC1=C(Br)C2=CC=CC=C2C=C1 70736 [1,1,0,0,0,0|1,0,0]=3 93 B14R2.92 COC1=C(Br)C2=CC=CN=C2C=C1 95712 [1,1,0,0,0,0|1,0,0]=3 94 B14R2.92 COC1=C(Br)C2=NC=CC=C2C=C1 72493 [1,1,0,0,0,0|1,0,0]=3 95 B14R2.92 COC1=C(N)C2=CC=CN=C2C=C1 K10154 [1,1,0,0,0,0|1,0,0]=3 96 B14R2.92 COC1=C(N)C2=NC=CC=C2C=C1 A50073 [1,1,0,0,0,0|1,0,0]=3 97 B14R2.92 N#CC1=C(N)C2=CC=CC=C2C=C1 F11587 [1,1,0,0,0,0|1,0,1]=4 98 B14R2.92 NC1=C(C=O)C=CC2=CC=CC=C21 D85347 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 W17445 [1,1,0,0,0,0|1,0,1]=4 100 B14R2.134 COC1=CC2=C(C=C1)C=NC(=O)C2 O11607 [1,1,0,0,0,0|1,0,1]=4 101 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 Y11365 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.134 COC1=CC2=CC(C)=CC=C2C=C1 N14596 [1,1,0,0,0,0|0,0,0]=2 103 B14R2.134 COC1=CC2=CC(N)=CN=C2C=C1 80367 [1,1,0,0,0,0|1,0,0]=3 104 B14R2.134 COC1=CC2=NC(C)=CC=C2C=C1 F14750 [1,1,0,0,0,0|1,0,0]=3 105 B14R2.134 COC1=CC=C2C=CC(Br)=CC2=C1 W18403 [1,1,0,0,0,0|0,0,0]=2 106 B14R2.134 COC1=CC=C2C=CC(Cl)=CC2=C1 N14595 [1,1,0,0,0,0|0,0,0]=2 107 B14R2.134 COC1=CC=C2C=CC(Cl)=NC2=C1 P16665 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.134 COC1=CC=C2C=NC(Cl)=NC2=C1 F30306 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 80422 [1,1,0,0,0,0|1,0,0]=3 110 B14R2.134 COC1=CC=C2N=CC(Cl)=NC2=C1 O10751 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.134 COC1=CC=C2N=CC(F)=CC2=C1 69135 [1,1,0,0,0,0|1,0,0]=3 112 B14R2.134 COC1=CC=C2N=CC(F)=CC2=N1 F30501 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.134 COC1=NC2=CC(N)=CC=C2C=C1 D71004 [1,1,0,0,0,0|1,0,0]=3 114 B14R2.134 N#CC1=CC=C2C=CC(O)=CC2=C1 C14549 [1,1,0,0,0,0|1,0,1]=4 115 B14R2.134 NCC1=CC=C2N=CC(Br)=CC2=C1 33685 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.142 CCC1=CC=C2C=CC=C(O)C2=C1 Y11362 [1,1,0,0,0,0|0,0,0]=2 117 B14R2.142 COC1=CC2=C(C)C=CN=C2C=C1 W18754 [1,1,0,0,0,0|1,0,0]=3 118 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 62544 [1,1,0,0,0,0|0,0,0]=2 119 B14R2.142 COC1=CC=C2C=CC=C(Br)C2=C1 N14593 [1,1,0,0,0,0|0,0,0]=2 120 B14R2.142 COC1=CC=C2C=CC=C(Cl)C2=N1 W17081 [1,1,0,0,0,0|1,0,0]=3 121 B14R2.142 COC1=CC=C2C=CN=C(I)C2=C1 79282 [1,1,0,0,0,0|1,0,0]=3 122 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=C1 C15797 [1,1,0,0,0,0|1,0,0]=3 123 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=N1 27309 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.142 COC1=CC=C2N=CN=C(Cl)C2=C1 68709 [1,1,0,0,0,0|2,0,0]=4 125 B14R2.142 COC1=NC2=C(N)C=CN=C2C=C1 70786 [1,1,0,0,0,0|2,0,0]=4 126 B14R2.142 COC1=NC2=C(O)C=CC=C2C=C1 75570 [1,1,0,0,0,0|1,0,0]=3 127 B14R2.142 COC1=NC2=C(O)C=CN=C2C=C1 W19181 [1,1,0,0,0,0|2,0,0]=4 128 B14R2.142 COC1=NC=C2C=CC=C(Br)C2=C1 D79780 [1,1,0,0,0,0|1,0,0]=3 129 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=N1 78893 [1,1,0,0,0,0|1,0,1]=4 130 B14R2.781 CC(=O)C1=CC2=CC=NC=C2C=C1 72316 [1,1,0,0,0,0|1,0,1]=4 131 B14R2.781 CC(=O)C1=CC2=CN=CC=C2C=C1 78509 [1,1,0,0,0,0|1,0,1]=4 132 B14R2.781 CC(=O)C1=NC2=CC=CC=C2C=C1 F30326 [1,1,0,0,0,0|1,0,1]=4 133 B14R2.781 CN(C)C1=CC2=CC=CC=C2C=C1 T70630 [1,1,0,0,0,0|1,0,0]=3 134 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 F16860 [1,1,0,0,0,0|0,0,0]=2 135 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2C=C1 R10069 [1,1,0,0,0,0|0,0,0]=2 136 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2C=C1 T72566 [1,1,0,0,0,0|0,0,0]=2 137 B14R2.781 C[C@H](O)C1=CC2=CC=CN=C2C=C1 86452 [1,1,0,0,0,0|1,0,0]=3 138 B14R2.781 C[C@H](O)C1=CC2=NC=CC=C2C=C1 92481 [1,1,0,0,0,0|1,0,0]=3 139 B14R2.781 C[C@H](O)C1=CC2=NC=CN=C2C=C1 92477 [1,1,0,0,0,0|2,0,0]=4 140 B14R2.781 FC(F)C1=CC2=NC=CC=C2C=C1 W11264 [1,1,0,0,0,0|2,0,0]=4 141 B14R2.1019 COC1=CC2=CC=CC=C2C(Br)=C1 N11775 [1,1,0,0,0,0|0,0,0]=2 142 B14R2.1019 COC1=CC2=CC=CN=C2C(Cl)=C1 68225 [1,1,0,0,0,0|1,0,0]=3 143 B14R2.1019 COC1=CC2=NC=CC=C2C(Br)=C1 O11386 [1,1,0,0,0,0|1,0,0]=3 144 B14R2.1019 COC1=NC2=CC=CC=C2C(Cl)=C1 F17332 [1,1,0,0,0,0|1,0,0]=3 145 B14R2.1019 O=CC1=CC2=CC=CC=C2C(Br)=C1 FD10651 [1,1,0,0,0,0|1,0,1]=4 146 B14R2.1128 CCC1=NC2=CC=CC=C2N=C1Cl Y11651 [1,1,0,0,0,0|2,0,0]=4 147 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br E10143 [1,1,0,0,0,0|0,0,0]=2 148 B14R2.1128 COC1=CC2=CC=CN=C2C=C1C W10697 [1,1,0,0,0,0|1,0,0]=3 149 B14R2.1128 COC1=CC2=CN=CC=C2C=C1F 81069 [1,1,0,0,0,0|1,0,0]=3 150 B14R2.1128 COC1=CC2=CN=CC=C2C=C1I 97843 [1,1,0,0,0,0|1,0,0]=3 151 B14R2.1128 COC1=CC2=NC=CC=C2C=C1Br F30699 [1,1,0,0,0,0|1,0,0]=3 152 B14R2.1128 COC1=CC2=NC=CC=C2C=C1N F30700 [1,1,0,0,0,0|1,0,0]=3 153 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl 27539 [1,1,0,0,0,0|2,0,0]=4 154 B14R2.1128 ClCC1=CC2=CC=CC=C2N=C1Cl 30209 [1,1,0,0,0,0|2,0,0]=4 155 B14R2.1128 N#CC1=CC2=CC=CC=C2C=C1O AC6293 [1,1,0,0,0,0|1,0,1]=4 156 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1F E70294 [1,1,0,0,0,0|1,0,1]=4 157 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O F16157 [1,1,0,0,0,0|1,0,1]=4 158 B14R2.1801 COC1=CC2=C(C=C1)C(=O)C=CO2 56993 [1,1,0,0,0,0|1,0,0]=3 159 B14R2.1801 COC1=CC2=C(C=N1)C(=O)C=CN2 63720 [1,1,0,0,0,0|2,0,0]=4 160 B14R2.1801 COC1=CC2=CC=NC(N)=C2C=C1 CL1045 [1,1,0,0,0,0|1,0,0]=3 161 B14R2.1801 COC1=CC2=NC=CC(C)=C2C=C1 C73479 [1,1,0,0,0,0|1,0,0]=3 162 B14R2.1801 COC1=CC2=NC=NC(N)=C2C=C1 51261 [1,1,0,0,0,0|2,0,0]=4 163 B14R2.1801 COC1=CC=C2C(=C1)N=CN=C2Cl 67450 [1,1,0,0,0,0|2,0,0]=4 164 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 CS1278 [1,1,0,0,0,0|1,0,0]=3 165 B14R2.1801 COC1=CN=C2C(Cl)=CC=NC2=C1 37523 [1,1,0,0,0,0|2,0,0]=4 166 B14R2.1801 COC1=NC=C2C(Cl)=CC=NC2=C1 37522 [1,1,0,0,0,0|2,0,0]=4 167 B14R2.1801 N#CC1=CC=C2C(Br)=CC=CC2=C1 53845 [1,1,0,0,0,0|1,0,1]=4 168 B14R2.1801 OCC1=CC=C2C(=C1)C=CN=C2Cl D79856 [1,1,0,0,0,0|2,0,0]=4 169 B14R2.2332 C=CC1=CC=C2C=C(O)C=CC2=C1 C72481 [1,1,0,0,0,0|0,0,2]=4 170 B14R2.2332 CCC1=CC=C2C=C(O)C=CC2=C1 C10686 [1,1,0,0,0,0|0,0,0]=2 171 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=C2 W10314 [1,1,0,0,0,0|1,0,0]=3 172 B14R2.2332 COC1=CC2=NC=C(N)C=C2C=C1 80439 [1,1,0,0,0,0|1,0,0]=3 173 B14R2.2332 COC1=CC2=NC=C(O)N=C2C=C1 C77112 [1,1,0,0,0,0|2,0,0]=4 174 B14R2.2332 COC1=CC=C2C=C(Br)C=NC2=C1 F11731 [1,1,0,0,0,0|1,0,0]=3 175 B14R2.2332 COC1=CC=C2C=C(Cl)N=CC2=C1 96203 [1,1,0,0,0,0|1,0,0]=3 176 B14R2.2332 COC1=CC=C2N=C(Br)C=CC2=C1 83962 [1,1,0,0,0,0|1,0,0]=3 177 B14R2.2332 COC1=CC=C2N=C(Cl)C=NC2=C1 O10749 [1,1,0,0,0,0|2,0,0]=4 178 B14R2.2332 COC1=CC=C2N=C(Cl)N=CC2=C1 36069 [1,1,0,0,0,0|2,0,0]=4 179 B14R2.2332 COC1=CN=C2C=C(Br)C=CC2=C1 O11634 [1,1,0,0,0,0|1,0,0]=3 180 B14R2.2332 N#CC1=CC=C2C=C(Br)C=CC2=C1 AB6429 [1,1,0,0,0,0|1,0,1]=4 181 B14R2.2332 OCC1=CC=C2C=C(Br)C=CC2=C1 F10523 [1,1,0,0,0,0|1,0,0]=3 182 B14R2.2 C[C@H](O)CC1=CNC2=C1C=CC=C2 P11617 [0,1,0,0,1,0|2,0,0]=4 183 B14R2.3 OCCCC1=CNC2=C1C=CC=C2 78414 [0,1,0,0,1,0|2,0,0]=4 184 B14R2.467 CCOC1=NOC2=C1C=CC(O)=C2 W13524 [0,1,0,0,1,0|2,0,0]=4 185 B14R2.475 CCOC1=CC2=C(C=C1)CCC2=O F52809 [0,1,0,0,1,0|0,0,2]=4 186 B14R2.1008 C[C@H](N)CC1=CC2=C(C=C1)OC=C2 F18238 [0,1,0,0,1,0|2,0,0]=4 187 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(Cl)S2 W17334 [0,1,0,0,1,0|2,0,0]=4 188 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(O)S2 W17335 [0,1,0,0,1,0|2,0,0]=4 189 B16R2.767 CCOC(=O)C1=CC2=CC=NC=C2N=C1 80938 [0,2,0,0,0,0|2,0,0]=4 190 B16R2.767 CCOC(=O)C1=CC2=CN=CC=C2C=C1 C75065 [0,2,0,0,0,0|1,0,0]=3 191 B16R2.767 CCOC(=O)C1=CC2=NC=CN=C2C=C1 BL004086 [0,2,0,0,0,0|2,0,0]=4 192 B16R2.1054 CCCCC1=CC(=O)C2=C(C=CC=C2)N1 W11963 [0,2,0,0,0,0|2,0,0]=4 193 B16R2.2441 OCCCCC1=CC2=CC=CC=C2C=C1 A11093 [0,2,0,0,0,0|1,0,0]=3 194 B16R2.30336 COCOC1=CC=C2C=C(Br)C=CC2=C1 C71379 [0,2,0,0,0,0|0,0,0]=2 195 B16R2.21680 CCCC1=NC2=CC=C(N)C=C2C(N)=C1 P16828 [0,2,0,0,0,0|2,0,0]=4 196 B16R2.33887 COC(=O)C1=CC2=CC=CC=C2C(O)=C1 F51618 [0,2,0,0,0,0|2,0,0]=4 197 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 N13256 [0,2,0,0,0,0|2,0,0]=4 198 B16R2.11975 CC(=O)OC1=CC=C2N=CC(Br)=CC2=C1 78875 [0,2,0,0,0,0|1,0,1]=4 199 B16R2.28261 CCOC1=CC=C2N=CC(Br)=C(Cl)C2=C1 W19155 [0,2,0,0,0,0|1,0,0]=3 200 B16R2.28261 CCOC1=CC=C2N=CC(Br)=C(O)C2=C1 W19154 [0,2,0,0,0,0|1,0,0]=3 201 B16R2.107862 CCOC1=CC=C2N=C(Cl)N=C(Cl)C2=C1 C74117 [0,2,0,0,0,0|2,0,0]=4 202 B16R2.442 CCC(CC)C1=CC2=CC=CC=C2C=C1 H11574 [0,2,0,0,0,0|1,0,0]=3 203 B16R2.33799 COC(=O)C1=CC=C2C=C(F)C=CC2=C1 T72530 [0,2,0,0,0,0|2,0,0]=4 204 B16R2.33799 O=C(CBr)C1=CC=C2C=C(Br)C=CC2=C1 90944 [0,2,0,0,0,0|2,0,0]=4 205 B16R2.173132 COC(=O)C1=CC=C2C(Br)=CC=CC2=C1 P16931 [0,2,0,0,0,0|2,0,0]=4 206 B16R2.11988 CC(=O)NC1=CC=C2C=C(Br)C=CC2=C1 AB22190 [0,2,0,0,0,0|1,0,1]=4 207 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 72632 [0,2,0,0,0,0|1,0,0]=3 208 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 O10828 [0,2,0,0,0,0|1,0,0]=3 209 B16R2.28256 CCOC1=C(C=O)C2=CC=CC=C2C=C1 T72014 [0,2,0,0,0,0|0,0,0]=2 210 B16R2.28230 CCCC1=CC=C2C=C(OC)C=CC2=C1 75567 [0,2,0,0,0,0|1,0,0]=3 211 B16R2.28230 CCOC1=CC=C2C=C(C=O)C=CC2=C1 W18912 [0,2,0,0,0,0|0,0,0]=2 212 B14R2.1129 CCN1C(C=O)=CC2=C1C=CC=C2 F19717 [0,0,1,1,0,0|2,0,0]=4 213 B14R2.7150 ClCCC1=CC=CC2=CC=CC=C21 T70893 [0,0,1,1,0,0|2,0,0]=4 214 B14R3.3022 C1=CC2=CC3=C(C=C2N1)OCO3 I10192 [0,0,0,1,1,0|2,0,0]=4 215 B16R3.17392 O=C1CCC2=C1C3=CC=CC=C3C=C2 Y11639 [0,1,0,1,0,0|1,0,1]=4 216 B16R3.13490 BrC1=CC2=C(N=NO2)C3=CC=CC=C13 C13219 [0,1,0,1,0,0|2,0,0]=4 217 B16R3.13490 ClC1=NC2=C(CCO2)C3=CC=CN=C31 92154 [0,1,0,1,0,0|2,0,0]=4 218 B12R2.1 CCC1=NNC2=C1C=CC=C2 C10488 [1,0,0,0,1,0|2,0,0]=4 219 B12R2.1 NCC1=CSC2=C1C=CC=C2 AC2201 [1,0,0,0,1,0|2,0,0]=4 220 B12R2.1 NCC1=CSC2=C1C=CC=C2 D94984 [1,0,0,0,1,0|2,0,0]=4 221 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [1,0,0,0,1,0|2,0,0]=4 222 B12R2.32 CCC1=NN2C=CC=CC2=C1 W16147 [1,0,0,0,1,0|2,0,0]=4 223 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 25413 [1,0,0,0,1,0|2,0,0]=4 224 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 AC2210 [1,0,0,0,1,0|2,0,0]=4 225 B12R2.44 BrCC1=CC2=C(C=C1)SC=C2 C71069 [1,0,0,0,1,0|2,0,0]=4 226 B12R2.44 COC1=CC2=C(C=C1)C=NN2 25976 [1,0,0,0,1,0|2,0,0]=4 227 B12R2.44 COC1=CC2=C(C=C1)OC=C2 85079 [1,0,0,0,1,0|1,0,0]=3 228 B12R2.44 COC1=CC2=C(C=C1)OC=N2 AC3817 [1,0,0,0,1,0|2,0,0]=4 229 B12R2.44 COC1=CC2=C(C=C1)SC=C2 63588 [1,0,0,0,1,0|1,0,0]=3 230 B12R2.44 COC1=CC2=CC=NN2C=C1 51012 [1,0,0,0,1,0|2,0,0]=4 231 B12R2.44 COC1=CN2C=CN=C2C=C1 O11606 [1,0,0,0,1,0|2,0,0]=4 232 B12R2.44 COC1=NC2=C(C=CN2)C=C1 53340 [1,0,0,0,1,0|2,0,0]=4 233 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 P10310 [1,0,0,0,1,0|2,0,0]=4 234 B12R2.44 OCC1=CC2=C(C=CS2)C=C1 F18065 [1,0,0,0,1,0|2,0,0]=4