0 B14R2.112 N#CCC1=CC2=CC=CC=C2C=C1 LT6603 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.112 OCCC1=CC2=C(C=CN=C2)C=C1 RT10881 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.112 OCCC1=CC=C2C=CC=CC2=C1 HL0896 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.57 BrCC1=CC=C2N=CC=NC2=C1 YH06078 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 JZ4211 [1,0,0,0,0,0|0,0,2]=3 5 B13R2.57 COC1=CC2=C(C=CN=C2)C=C1 YH59268 [1,0,0,0,0,0|1,0,0]=2 6 B13R2.57 COC1=CC2=CC=CC=C2C=C1 RT10627 [1,0,0,0,0,0|0,0,0]=1 7 B13R2.57 COC1=CC=C2N=CC=CC2=C1 JZ2656 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.57 COC1=NC2=CC=CC=C2C=C1 YH65567 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.57 CSC1=CC=C2C=CC=CC2=C1 JZ3145 [1,0,0,0,0,0|0,1,0]=2 10 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 HL2608 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.57 ClCC1=CC=C2N=CC=CC2=N1 YH24084 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 JZ5734 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 YH44475 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 YH08037 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 LT1145 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 YH65956 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 XJ2111 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.57 O=CC1=CC2=CC=CC=C2C=C1 XJ0056 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 LT6847 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 YH03353 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 XJ2631 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 LT6065 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.57 OCC1=CC=C2N=CC=CC2=C1 CJ2744 [1,0,0,0,0,0|2,0,0]=3 24 B15R2.352 OCCOC1=CC=C2C=CC=CC2=C1 HL1216 [0,1,0,0,0,0|0,0,0]=1 25 B15R2.1601 O=C(CBr)C1=CC=C2C=CC=CC2=C1 HL0167 [0,1,0,0,0,0|2,0,0]=3 26 B15R2.1668 CC(=O)OC1=CC2=C(C=CC=C2)C=C1 LQ1833 [0,1,0,0,0,0|0,0,1]=2 27 B15R2.10252 CCCC1=CC2=CC=C(O)C=C2C=C1 HL2348 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.42 C=COC(=O)\C=C\C1=CC=CC=C1 LQ2371 [0,0,1,0,0,0|1,0,2]=4 29 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 LT5401 [0,0,1,0,0,0|1,0,2]=4 30 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 RT1472 [0,0,1,0,0,0|2,0,1]=4 31 B13R1.42 CCOC(=O)\C=C/C1=CC=CC=C1 RT6272 [0,0,1,0,0,0|1,0,0]=2 32 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 RT18103 [0,0,1,0,0,0|2,0,0]=3 33 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 RT7838 [0,0,1,0,0,0|2,0,0]=3 34 B13R1.470 CCOC(=O)CC1=CC=CC=C1O RT11045 [0,0,1,0,0,0|2,0,1]=4 35 B13R2.1 NCCC1=CNC2=C1C=CC=C2 LQ0684 [0,0,0,0,1,0|3,0,0]=4 36 B13R2.1 NCCC1=CNC2=CC=CC=C12 RT4105 [0,0,0,0,1,0|3,0,0]=4 37 B13R2.26 CCCC1=CC2=CC=CN=C2N1 YH34513 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.32 CCOC(=O)NC1=CC=CC=C1 LQ0343 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.267 CCO\C=C\C1=CC=CC=C1Cl RT6428 [1,0,1,0,0,0|1,0,0]=3 40 B12R1.288 CCOC1=CC=C(C=O)C(O)=C1 YH66665 [1,0,1,0,0,0|2,0,0]=4 41 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 YH56008 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 LQ0656 [2,0,0,0,0,0|1,0,0]=3 43 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 XJ0974 [2,0,0,0,0,0|1,0,0]=3 44 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 XJ2819 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 LQ5444 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 XJ5183 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 RT7804 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 LT6482 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 CC1=CC2=CC=CC=C2C=C1 LT6594 [2,0,0,0,0,0|0,0,0]=2 50 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HL0684 [2,0,0,0,0,0|1,0,0]=3 51 B12R2.24 CC1=CC2=CC=CC=C2N=C1 HL0146 [2,0,0,0,0,0|1,0,0]=3 52 B12R2.24 CC1=CC=C2C=CC=NC2=C1 JZ0093 [2,0,0,0,0,0|1,0,0]=3 53 B12R2.24 CC1=CC=C2C=CC=NC2=N1 JZ4663 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 CC1=CC=C2C=CN=CC2=C1 YH06101 [2,0,0,0,0,0|1,0,0]=3 55 B12R2.24 CC1=CC=C2C=NC=CC2=C1 YH01057 [2,0,0,0,0,0|1,0,0]=3 56 B12R2.24 CC1=CC=C2N=CC=CC2=C1 XJ0200 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 CC1=CC=C2N=CC=NC2=C1 JZ2902 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 YH95514 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 HL0145 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 HL0147 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 NC1=CC2=CC=CC=C2C=N1 XJ4820 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 NC1=CC2=CN=CC=C2C=C1 YH65501 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 NC1=CC=C2C=CC=NC2=C1 XJ0978 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 NC1=CC=C2C=NC=CC2=C1 XJ4720 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 NC1=CC=C2N=CC=CC2=C1 LT0988 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 NC1=CC=C2N=CC=CC2=C1 XJ0975 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 NC1=NC2=CC=CC=C2C=C1 LT0815 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [2,0,0,0,0,0|1,0,1]=4 70 B12R2.24 O=N1=CC2=CC=CC=C2C=C1 LQ1854 [2,0,0,0,0,0|1,0,1]=4 71 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 LQ3306 [2,0,0,0,0,0|1,0,0]=3 72 B12R2.24 OC1=CC2=CC=CC=C2C=C1 JZ1057 [2,0,0,0,0,0|0,0,0]=2 73 B12R2.24 OC1=CC2=CC=CC=C2N=C1 XJ0977 [2,0,0,0,0,0|1,0,0]=3 74 B12R2.24 OC1=CC=C2C=CC=NC2=C1 XJ0979 [2,0,0,0,0,0|1,0,0]=3 75 B12R2.24 OC1=CC=C2N=CC=CC2=C1 JZ1203 [2,0,0,0,0,0|1,0,0]=3 76 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LQ1745 [2,0,0,0,0,0|1,0,0]=3 77 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LT1758 [2,0,0,0,0,0|1,0,0]=3 78 B12R2.24 SC1=CC=C2C=CC=CC2=C1 LT1182 [2,0,0,0,0,0|0,1,0]=3 79 B12R2.24 SC1=NC2=CC=CC=C2C=C1 LT0848 [2,0,0,0,0,0|1,1,0]=4 80 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 HL1242 [0,1,1,0,0,0|1,0,1]=4 81 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 RT11872 [0,1,1,0,0,0|1,0,0]=3 82 B14R1.156 CCCOC(=O)\C=C\C1=CC=CC=C1 JZ3259 [0,1,1,0,0,0|1,0,0]=3 83 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 JZ5402 [0,1,1,0,0,0|1,0,0]=3 84 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 LT5392 [0,1,1,0,0,0|1,0,0]=3 85 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 XJ2320 [0,1,1,0,0,0|1,0,0]=3 86 B14R1.502 CCOC(=O)\C=C\C1=CC=C(S)C=C1 RT19777 [0,1,1,0,0,0|1,0,0]=3 87 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=[N+]1[O-] RT0018 [0,1,1,0,0,0|2,0,0]=4 88 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 LQ2160 [0,1,1,0,0,0|1,0,0]=3 89 B14R2.92 CNC1=CC=C2C=CC=NC2=C1N RT3268 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.92 CNC1=CC=C2N=CC=CC2=C1N RT3270 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.92 O=NC1=C(O)C2=CC=CC=C2C=C1 LQ0586 [1,1,0,0,0,0|2,0,0]=4 92 B14R2.92 OCC1=C(O)C2=CC=CC=C2N=C1 RT9951 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.134 N#CC1=CC2=C(C=CC(O)=C2)C=C1 YH65463 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.142 COC1=CC2=C(O)C=CC=C2C=C1 RT11010 [1,1,0,0,0,0|0,0,0]=2 95 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 JZ0995 [1,1,0,0,0,0|0,0,1]=3 96 B14R2.781 CC(=O)C1=CC=C2N=CC=CC2=C1 LT0986 [1,1,0,0,0,0|1,0,1]=4 97 B14R2.781 CC(C)C1=CC=C2C=CC=CC2=C1 XJ2005 [1,1,0,0,0,0|0,0,0]=2 98 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=C1 XJ2116 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 LT6601 [1,1,0,0,0,0|1,0,1]=4 100 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 HL4182 [1,1,0,0,0,0|1,0,1]=4 101 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 HL4190 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 CJ2377 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.1801 COC1=CC2=C(C=C1)C(=O)OC=C2 YH65112 [1,1,0,0,0,0|1,0,0]=3 104 B14R2.1801 COC1=CC2=C(C=C1)C(Cl)=CC=N2 XJ6186 [1,1,0,0,0,0|1,0,0]=3 105 B14R2.1801 COC1=CC2=CC=CC(F)=C2C=C1 RT18854 [1,1,0,0,0,0|0,0,0]=2 106 B14R2.1801 COC1=CC=C2C(=C1)C=CN=C2O YH50817 [1,1,0,0,0,0|1,0,0]=3 107 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 YH88641 [1,1,0,0,0,0|0,0,0]=2 108 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 HL4720 [1,1,0,0,0,0|1,0,0]=3 109 B14R2.2332 CC1=NC2=CC=C(CBr)C=C2C=C1 YH34214 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 LT1964 [1,1,0,0,0,0|0,0,0]=2 111 B14R2.2332 COC1=CC=C2C=C(Br)C=NC2=C1 YH65601 [1,1,0,0,0,0|1,0,0]=3 112 B14R2.2332 COC1=CC=C2C=C(O)C=CC2=C1 LT5962 [1,1,0,0,0,0|0,0,0]=2 113 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 JZ4397 [1,1,0,0,0,0|1,0,0]=3 114 B14R2.2332 O=CC1=CC2=CC=C(Cl)C=C2C=C1 LX2577 [1,1,0,0,0,0|1,0,1]=4 115 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 LL1388 [1,1,0,0,0,0|1,0,1]=4 116 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 XJ1058 [0,1,0,0,1,0|1,0,1]=4 117 B14R2.2 CC(N)CC1=CNC2=C1C=CC=C2 RT2129 [0,1,0,0,1,0|2,0,0]=4 118 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 YH52747 [0,1,0,0,1,0|2,0,0]=4 119 B14R2.3 CNCCC1=CNC2=CC=CC=C12 RT2130 [0,1,0,0,1,0|2,0,0]=4 120 B14R2.3 CNCCC1=CNC2=CC=CC=C12 YH10143 [0,1,0,0,1,0|2,0,0]=4 121 B14R2.111 CCCC1=CC2=C(C1)C(Cl)=CC=C2 YH20381 [0,1,0,0,1,0|1,0,1]=4 122 B14R2.972 CCC(C)C1=CC2=CC=CC=C2O1 LT1799 [0,1,0,0,1,0|2,0,0]=4 123 B14R2.1008 CC(N)CC1=CC2=C(C=C1)NC=C2 RT2596 [0,1,0,0,1,0|2,0,0]=4 124 B14R2.6400 CCOC1=CC=C2N=C(S)SC2=C1 LL0479 [0,1,0,0,1,0|2,0,0]=4 125 B16R2.477 CC(C)COC1=CC=C2C=CC=CC2=C1 JZ1900 [0,2,0,0,0,0|0,0,0]=2 126 B16R2.477 OC(=O)COC1=CC2=CC=CC=C2C=C1 LL0466 [0,2,0,0,0,0|0,0,1]=3 127 B16R2.33941 COC(=O)C1=C(O)C=C2C=CC=CC2=C1 HL0503 [0,2,0,0,0,0|2,0,0]=4 128 B16R2.173132 COC(=O)C1=CC=C2C(Cl)=CC=CC2=C1 YH30736 [0,2,0,0,0,0|2,0,0]=4 129 B14R2.101 C1=CC=C(\C=C\C2OCCO2)C=C1 LT4561 [0,0,1,1,0,0|1,0,1]=4 130 B14R2.203 CC[N+]1=C2C=CC=CC2=CC=C1C JZ3918 [0,0,1,1,0,0|1,0,1]=4 131 B14R2.7150 CCOC1=C2N=CC=CC2=CC=C1 JZ4633 [0,0,1,1,0,0|1,0,0]=3 132 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 LQ5087 [0,0,1,1,0,0|2,0,0]=4 133 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 HL0434 [0,0,1,1,0,0|2,0,0]=4 134 B16R3.2273 CC1=NC2=CC3=CC=CC=C3C=C2O1 XJ4556 [0,1,0,1,0,0|0,0,1]=3 135 B16R3.335 CC1=CC2=C(C=CC3=CC=CC=C32)N1 LQ5352 [0,1,0,1,0,0|1,0,1]=4 136 B16R3.335 CC1=NC2=C3C=CC=CC3=CC=C2S1 LT1793 [0,1,0,1,0,0|0,1,1]=4 137 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,0,1,0,1,0|1,0,1]=4 138 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,0,1,0,1,0|2,0,0]=4 139 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [0,0,1,0,1,0|2,0,0]=4 140 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [0,0,1,0,1,0|2,0,0]=4 141 B12R2.1 CCN1C=CC2=CC=CC=C21 JZ3474 [1,0,0,0,1,0|1,0,0]=3 142 B12R2.1 ClCC1=CSC2=CC=CC=C12 LT0579 [1,0,0,0,1,0|2,0,0]=4 143 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [1,0,0,0,1,0|2,0,0]=4 144 B12R2.1 OCC1=CNC2=C1C=CC=C2 LT4083 [1,0,0,0,1,0|2,0,0]=4 145 B12R2.1 OCC1=CNC2=CC=CC=C12 LT7617 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [1,0,0,0,1,0|0,0,1]=3 147 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 LQ2500 [1,0,0,0,1,0|1,0,0]=3 148 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 YH42114 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.32 OCC1=CC2=CC=CC=C2N1 YH49153 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.44 COC1=CC2=C(C=C1)NN=C2 YH97228 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.44 COC1=CC2=C(C=C1)OC=C2 YH32293 [1,0,0,0,1,0|1,0,0]=3 152 B12R2.44 COC1=CC2=C(C=CC2)C=C1 YH66031 [1,0,0,0,1,0|0,0,1]=3 153 B12R2.44 COC1=CC2=C(N=C1)NC=C2 YH41834 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.44 COC1=CC2=NC=CN2C=C1 RT14632 [1,0,0,0,1,0|2,0,0]=4 155 B12R2.44 COC1=CC=C2C=CNC2=C1 JZ2243 [1,0,0,0,1,0|1,0,0]=3 156 B12R2.44 COC1=CC=C2NC=CC2=C1 JZ1178 [1,0,0,0,1,0|1,0,0]=3 157 B12R2.44 COC1=CC=C2NC=CC2=N1 YH39836 [1,0,0,0,1,0|2,0,0]=4 158 B12R2.44 CSC1=CC=C2NC=CC2=C1 YH18210 [1,0,0,0,1,0|1,1,0]=4 159 B12R2.44 OCC1=CC=C2NC=CC2=C1 JZ4379 [1,0,0,0,1,0|2,0,0]=4 160 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 RT5039 [0,0,1,0,0,1|1,0,1]=4