0 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CCNC(C)C1=CC=CN=C1 RT2509 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 CN(CCO)C1=NC=CC=C1 YH28946 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.16 N#CCC(O)C1=CC=CC=C1 RT6095 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.15 CCC(C)C1=NC=CN=C1 JZ1742 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.17 COCCC1=NC=CC=C1 LT3761 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [1,0,0,0,0,0|2,0,1]=4 71 B12R1.3 CCN(CCCl)C1=CC=CC=C1 HL1185 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.3 CNC(CCO)C1=CC=CC=C1 RT3227 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 RT11080 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 XJ0996 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 RT17651 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 JZ3824 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 LT4056 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 RT4716 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 LX2785 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 YH47867 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 RT2728 [0,1,0,0,0,0|1,0,1]=3 82 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 RT0358 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 XJ0007 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 YH13662 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66650 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66666 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HL2226 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.30 CNCCC(O)C1=CC=CC=C1 LT3055 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 HL3244 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.34 C(C)(NC)[C@H](O)C1=CC=CC=C1 LT5056 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.34 CCC(Br)C(=O)C1=CC=CC=C1 RT12924 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.34 CN[C@@H](C)[C@H](O)C1=CC=CC=C1 LT4944 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 HL2426 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 LT6303 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 RT6453 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 XJ2183 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 RT1894 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 YH02322 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 JZ1254 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 RT7260 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 HL1238 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 LT6844 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 JZ0890 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 RT12059 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 LQ3693 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 LQ2496 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.308 CC1=CC=CC=C1C(N)CCO RT12768 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.2 C1=CC(C2CCCN2)=CC=N1 RT7690 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.2 C1=CC(N2CCCC2)=CC=N1 LX3244 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.2 C1=CC=C(C2CCCN2)C=C1 HL0594 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [0,0,0,1,0,0|2,0,0]=3 114 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH65152 [0,0,0,1,0,0|0,0,0]=1 115 B12R2.2 C1=CC=C(C2CCNC2)C=C1 YH96657 [0,0,0,1,0,0|0,0,0]=1 116 B12R2.2 C1=CC=C(N2CCCC2)C=C1 XJ2611 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 YH65558 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 YH07424 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 YH89689 [0,0,0,1,0,0|0,0,0]=1 120 B12R2.2 C1=CN=C(C2=NNCC2)C=C1 RT8672 [0,0,0,1,0,0|2,0,1]=4 121 B12R2.2 C1=CN=C(C2CCNC2)C=C1 LT3794 [0,0,0,1,0,0|1,0,0]=2 122 B12R2.2 C1=CN=CC(C2CCC=N2)=C1 RT14595 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.2 C1=CN=CC(C2CCCN2)=C1 XJ2984 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 RT14833 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 YH05386 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.116 CC1(C2=CC=CC=C2)CNC1 RT9865 [0,0,0,1,0,0|0,0,0]=1 127 B12R2.1081 CC1CCNC2=C1C=CC=C2 JZ5356 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.1081 CC1NCCC2=C1C=CC=C2 XJ2816 [0,0,0,1,0,0|2,0,0]=3 129 B12R2.1081 NC1CCNC2=CC=CC=C21 YH65897 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.1081 NN1CCCC2=CC=CC=C21 LT5813 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 JZ5559 [0,0,0,1,0,0|2,0,0]=3 132 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 XJ5138 [0,0,0,1,0,0|2,0,0]=3 133 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 JZ5560 [0,0,0,1,0,0|2,0,0]=3 134 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 YH57498 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.1081 OC1CCCC2=C1C=CC=N2 YH65731 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.1081 OC1CCCC2=CC=CN=C21 YH35264 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [0,0,0,1,0,0|1,0,0]=2 140 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [0,0,0,1,0,0|1,0,1]=3 141 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 LQ2435 [0,0,0,1,0,0|2,0,1]=4 142 B12R1.32 C#CCN(C)CC1=CC=CC=C1 JZ0623 [0,0,0,0,0,1|2,0,1]=4 143 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,0,0,0,0,1|2,0,1]=4 144 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.6 C=C(C)C1=CC=CC=C1 XJ0257 [2,0,0,0,0,0|0,0,2]=4 146 B9R1.6 CC(=O)C1=CC=CC=C1 RT11112 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.6 CC(Br)C1=CC=CC=C1 XJ1034 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.6 CC(C)C1=NC=CN=C1 JZ1741 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.6 CC(N)C1=CC=CC=C1 JZ0721 [2,0,0,0,0,0|0,0,0]=2 150 B9R1.6 CN(C)C1=CC=NC=C1 LT3039 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.6 CN(C)C1=NC=CC=C1 XJ2942 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.6 CN(N)C1=CC=CC=C1 LQ1214 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.6 CN(N)C1=CC=CC=C1 LX2044 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.6 C[C@@H](N)C1=CC=CC=C1 RT1721 [2,0,0,0,0,0|0,0,0]=2 155 B9R1.6 C[C@@H](N)C1=NC=CC=C1 YH51514 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.6 C[C@@H](O)C1=NC=CC=C1 YH51543 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.6 C[C@H](N)C1=CC=CC=C1 RT1720 [2,0,0,0,0,0|0,0,0]=2 158 B9R1.6 C[Si](=O)C1=CC=CC=C1 XJ3509 [2,0,0,0,0,0|1,1,0]=4 159 B9R1.6 ClC(Cl)C1=CC=CC=C1 LT3671 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.6 N=C(N)C1=CC=CC=C1 LQ1861 [2,0,0,0,0,0|1,0,1]=4 161 B9R1.6 NC(=O)C1=CC=CC=C1 CJ3392 [2,0,0,0,0,0|1,0,1]=4 162 B9R1.6 NC(=O)C1=CC=CC=C1 LT4036 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.6 NC(=S)C1=CC=CC=C1 XJ2085 [2,0,0,0,0,0|1,0,1]=4 164 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.8 CCCC1=CC=NC=C1 LT3807 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.8 CCOC1=NC=CC=C1 LT1993 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.8 CNCC1=CC=CC=C1 RT3204 [2,0,0,0,0,0|0,0,0]=2 172 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.8 COCC1=CC=CN=C1 LQ5401 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [2,0,0,0,0,0|0,0,2]=4 176 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [2,0,0,0,0,0|0,0,2]=4 177 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.8 NCCC1=CC=NC=C1 YH11719 [2,0,0,0,0,0|1,0,0]=3 182 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.8 NNCC1=CC=CC=C1 LX3048 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.8 NOCC1=CC=CC=C1 LT5864 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [2,0,0,0,0,0|1,0,1]=4 186 B9R1.8 OCCC1=CC=CC=C1 YH43593 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.8 SCCC1=CC=NC=C1 RT10479 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.8 SCCC1=NC=CC=C1 RT10478 [2,0,0,0,0,0|2,0,0]=4 190 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 SY0100 [1,1,0,0,0,0|0,0,2]=4 191 B11R1.7 CC(N)(CO)C1=CC=CC=C1 YH66378 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.7 CC(O)(CO)C1=CC=CC=C1 HL2733 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.7 CCC(C)(O)C1=CC=CC=C1 JZ4655 [1,1,0,0,0,0|0,0,0]=2 194 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 LQ1163 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.7 COP(C)(=O)C1=CC=CC=C1 JZ2962 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 JZ5229 [1,1,0,0,0,0|1,1,0]=4 197 B11R1.12 CCC(CC)C1=NC=CC=C1 LT3246 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.12 CCN(CC)C1=NC=CC=C1 LT3355 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.12 CC[C@@H](CCl)C1=CC=CC=C1 RT17488 [1,1,0,0,0,0|0,0,0]=2 200 B11R1.12 COC(OC)C1=CC=CC=C1 HL0685 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.12 COP(OC)C1=CC=CC=C1 JZ2190 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.12 NCC(CO)C1=CC=CC=C1 RT3247 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.12 OCP(CO)C1=CC=CC=C1 LQ2400 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.22 C(=O)C(C)C1=CC=C(Cl)C=C1 YH58118 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 YH65417 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.22 CC1=CC=C(C(C)C=O)C=C1 HL1295 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.22 CC1=CC=C(C(O)CN)C=C1 RT1609 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 YH14959 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 RT11202 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 LT4307 [1,1,0,0,0,0|0,0,0]=2 211 B11R1.22 FC1=CC=C(C(Br)CBr)C=C1 YH56190 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 LQ2917 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 RT2897 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 YH17779 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 YH17778 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 HL1815 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 LX2710 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 YH43755 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 RT12028 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 YH65453 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 LQ3598 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 YH05716 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.23 NCC(O)C1=CC(O)=CC=C1 RT2781 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 HL0407 [1,1,0,0,0,0|0,0,1]=3 225 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 YH58730 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 JZ3850 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 LQ2063 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 XJ1123 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.36 CC(C)C(O)C1=CC=CC=C1 XJ1122 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.36 CC(C1=CC=CC=C1)N(C)C XJ2195 [1,1,0,0,0,0|0,0,0]=2 231 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 RT10540 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 RT3084 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 JZ0182 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.36 [C@H](C)(C(=O)O)C1=CC=CC=C1 JZ0854 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.222 CCC(=O)C1=CC=CC=C1F XJ0760 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.222 CCC(C)C1=C(O)C=CC=C1 LL0208 [1,1,0,0,0,0|0,0,0]=2 237 B11R1.222 CNC(=O)C1=CC=CC=C1N HL2654 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.222 C\C(NO)=C1\C=CC=CC1=O RT6027 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 YH08544 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 HL4533 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 YH16342 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.222 NCC(O)C1=CC=CC=C1F JZ2275 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.1 C(=O)CCC1=CC=C(Cl)C=C1 YH17360 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.1 ClC1=CC=C(CCCBr)C=C1 CJ2951 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.1 OC1=CC=C(CCCBr)C=C1 CJ2919 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.1 OC1=CC=C(CCCCl)C=C1 CJ3017 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.1 OCCCC1=CC=C(Br)C=C1 XJ4838 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.17 COCCC1=CC=CC=C1O RT11073 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.24 COCCC1=CC(O)=CC=C1 RT10599 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.28 CCCCCC1=NC=CC=C1 LT3426 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.28 CCNCCC1=NC=CC=C1 LT5810 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.28 CCOCCC1=NC=CC=C1 LT3880 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [1,1,0,0,0,0|0,0,1]=3 262 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.28 ClCCCCC1=CC=NC=C1 YH65475 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [1,1,0,0,0,0|0,0,2]=4 271 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [1,1,0,0,0,0|0,0,2]=4 280 B11R1.40 CNC(C)CC1=CC=CN=C1 RT1972 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.91 C=C(C)COC1=CC=CC=C1 HL3035 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.91 CN(C)CCC1=NC=CC=C1 LT3793 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.29 CNCCC(O)C1=CC=CS1 RT2121 [0,1,0,0,1,0|2,0,0]=4 293 B11R1.29 CNCC[C@H](O)C1=CC=CS1 HL3304 [0,1,0,0,1,0|2,0,0]=4 294 B13R1.47 CCCC(Br)C(=O)C1=CC=CC=C1 RT10786 [0,1,0,0,0,1|2,0,0]=4 295 B13R1.405 CN(C)[C@@H](CCO)C1=CC=CC=C1 LL1489 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 RT3229 [0,2,0,0,0,0|2,0,0]=4 297 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 YH23937 [0,2,0,0,0,0|2,0,0]=4 298 B13R1.21 CNC(=O)N(C)C1=CC=C(Cl)C=C1 LQ0606 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.21 CNC(C)C(O)C1=CC=C(F)C=C1 RT5943 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.21 CN[C@@H](C)[C@@H](O)C1=CC=C(F)C=C1 RT1394 [0,2,0,0,0,0|1,0,0]=3 301 B13R1.452 CCCC(C)C1=CC=C(OC)C=C1 RT12032 [0,2,0,0,0,0|1,0,0]=3 302 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 HL1306 [0,2,0,0,0,0|1,0,1]=4 303 B13R1.466 CNCC(O)C1=CC(O)=C(Br)C=C1 RT3620 [0,2,0,0,0,0|1,0,0]=3 304 B13R1.466 CNC[C@H](O)C1=CC(O)=C(Br)C=C1 RT1882 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 HL1020 [0,2,0,0,0,0|1,0,0]=3 306 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 HL1021 [0,2,0,0,0,0|1,0,0]=3 307 B13R1.12 CNC[C@H](O)C1=CC=CC(O)=C1Br RT1880 [0,2,0,0,0,0|1,0,0]=3 308 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 RT3504 [0,2,0,0,0,0|1,0,0]=3 309 B13R1.446 CNCC(O)C1=CC(O)=CC=C1Br RT3619 [0,2,0,0,0,0|1,0,0]=3 310 B13R1.446 CNC[C@H](O)C1=CC(O)=CC=C1Br RT1881 [0,2,0,0,0,0|1,0,0]=3 311 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 LL0475 [0,2,0,0,0,0|1,0,1]=4 312 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 LL1950 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 RT5176 [0,2,0,0,0,0|2,0,0]=4 314 B13R1.24 CNCCCC(O)C1=CC=CN=C1 RT17994 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 LT1122 [0,2,0,0,0,0|1,0,1]=4 316 B13R1.86 COC(OC)C(C)C1=CC=CC=C1 XJ0183 [0,2,0,0,0,0|1,0,0]=3 317 B13R1.152 C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C RT3693 [0,2,0,0,0,0|1,0,0]=3 318 B13R1.708 COC(=O)C(C)(C)C1=CC=CC=C1 YH08045 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.201 CC(C)CC(N)C1=CC=CC=C1N RT3355 [0,2,0,0,0,0|2,0,0]=4 320 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [1,0,0,1,0,0|0,0,2]=4 321 B11R2.1 CC1C=CC2=CC=CC=C21 YH65581 [1,0,0,1,0,0|0,0,2]=4 322 B11R2.1 CC1CCC2=NC=CN=C21 LT3758 [1,0,0,1,0,0|2,0,0]=4 323 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [1,0,0,1,0,0|0,0,0]=2 324 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [1,0,0,1,0,0|1,0,0]=3 325 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [1,0,0,1,0,0|1,0,0]=3 326 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [1,0,0,1,0,0|1,0,0]=3 327 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [1,0,0,1,0,0|1,0,0]=3 328 B11R2.1 N[C@H]1CCC2=CC=CN=C21 YH03814 [1,0,0,1,0,0|2,0,0]=4 329 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [1,0,0,1,0,0|1,0,1]=4 330 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [1,0,0,1,0,0|1,0,1]=4 331 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [1,0,0,1,0,0|0,0,0]=2 332 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH00383 [1,0,0,1,0,0|1,0,0]=3 333 B11R2.40 NC1(C2=CC=CC=C2)CC1 YH16483 [1,0,0,1,0,0|1,0,0]=3 334 B11R2.239 C1=CC=C(C2CNC2)C=C1 RT7923 [1,0,0,1,0,0|0,0,0]=2 335 B11R2.20 C1=CC2=C(CNCC2)N=C1 YH32986 [1,0,0,1,0,0|1,0,0]=3 336 B11R2.20 C1=CN=C2CCCCC2=C1 LT0944 [1,0,0,1,0,0|2,0,0]=4 337 B11R2.20 C1=NC=C2CCCCC2=C1 LT0943 [1,0,0,1,0,0|2,0,0]=4 338 B11R2.20 C1=NC=C2CCNCC2=N1 YH18693 [1,0,0,1,0,0|2,0,0]=4 339 B11R2.20 C1=NC=C2CNCCC2=C1 YH24216 [1,0,0,1,0,0|1,0,0]=3 340 B11R2.20 C1=NC=C2CNCCC2=N1 YH43243 [1,0,0,1,0,0|2,0,0]=4 341 B11R2.238 C1=CC=C(SC2CC2)C=C1 LQ3793 [1,0,0,1,0,0|2,0,0]=4 342 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 YH66316 [0,0,0,1,0,1|2,0,0]=4 343 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 LT0483 [0,1,0,1,0,0|1,0,0]=3 344 B13R2.3 C1=CC([C@H]2CCCCN2)=CC=N1 RT14525 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 HL0421 [0,1,0,1,0,0|1,0,1]=4 346 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 LT5014 [0,1,0,1,0,0|0,0,1]=3 347 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 YH22096 [0,1,0,1,0,0|0,0,1]=3 348 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 HL0422 [0,1,0,1,0,0|0,0,0]=2 349 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 LT0481 [0,1,0,1,0,0|0,0,0]=2 350 B13R2.3 C1=CC=C(C2CCOCO2)C=C1 HL0423 [0,1,0,1,0,0|1,0,0]=3 351 B13R2.3 C1=CC=C(C2CNCCN2)C=C1 JZ2660 [0,1,0,1,0,0|0,0,0]=2 352 B13R2.3 C1=CC=C(C2COCCN2)C=C1 YH33694 [0,1,0,1,0,0|1,0,0]=3 353 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 LT5525 [0,1,0,1,0,0|2,0,0]=4 354 B13R2.3 C1=CC=C(N2CCCCC2)C=C1 XJ2610 [0,1,0,1,0,0|2,0,0]=4 355 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 JZ1953 [0,1,0,1,0,0|1,0,0]=3 356 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 LX3300 [0,1,0,1,0,0|1,0,0]=3 357 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 RT2484 [0,1,0,1,0,0|1,0,0]=3 358 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 HL1189 [0,1,0,1,0,0|2,0,0]=4 359 B13R2.3 C1=CC=C([C@@H]2CCCNC2)C=C1 YH08942 [0,1,0,1,0,0|0,0,0]=2 360 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 YH66297 [0,1,0,1,0,0|1,0,0]=3 361 B13R2.3 C1=CN=C(C2CNCCN2)N=C1 XJ6673 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.3 C1=CN=C(N2CCNCC2)C=C1 LX2253 [0,1,0,1,0,0|2,0,0]=4 363 B13R2.3 C1=CN=C(N2CCNCC2)C=C1 XJ5190 [0,1,0,1,0,0|2,0,0]=4 364 B13R2.3 C1=CN=C([C@H]2CCCCN2)C=C1 RT14523 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 CJ3090 [0,1,0,1,0,0|2,0,0]=4 366 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 LL0891 [0,1,0,1,0,0|2,0,0]=4 367 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 YH27765 [0,1,0,1,0,0|0,0,1]=3 368 B13R2.10 O=C1CC(C2=CC=CN=C2)CN1 RT10191 [0,1,0,1,0,0|1,0,1]=4 369 B13R2.10 O=C1CCC(C2=CC=CC=C2)O1 HL0603 [0,1,0,1,0,0|2,0,0]=4 370 B13R2.10 O=C1NCC(C2=CC=CC=C2)N1 RT9150 [0,1,0,1,0,0|1,0,1]=4 371 B13R2.2539 N#CC1(C2=CC=CC=C2)CCC1 YH34653 [0,1,0,1,0,0|1,0,1]=4 372 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 YH03468 [0,1,0,1,0,0|1,0,0]=3 373 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 YH58326 [0,1,0,1,0,0|2,0,0]=4 374 B13R2.12 ClC1=CC=C(C2CCCN2)C=C1 LT1081 [0,1,0,1,0,0|2,0,0]=4 375 B13R2.12 FC1=CC=C(C2CCCN2)C=C1 LT1080 [0,1,0,1,0,0|2,0,0]=4 376 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 YH52705 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.12 FC1=CC=C([C@H]2CCCN2)C=C1 YH52704 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 YH49800 [0,1,0,1,0,0|2,0,0]=4 379 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 YH66325 [0,1,0,1,0,0|2,0,0]=4 380 B13R2.13 BrC1=CC=CC(C2CCCN2)=C1 YH58333 [0,1,0,1,0,0|2,0,0]=4 381 B13R2.13 FC1=CC(C2CCNC2)=CC=C1 LL2040 [0,1,0,1,0,0|0,0,0]=2 382 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 YH95829 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 YH95828 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.13 FC1=CC=CC(C2CCCN2)=C1 LX2427 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.162 CN1CCCC2=C1C=C(N)C=C2 LT1148 [0,1,0,1,0,0|2,0,0]=4 386 B13R2.162 CN1CCCC2=CC=C(N)C=C21 LT5991 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.162 NC1CCCC2=CC=C(Br)C=C21 YH90668 [0,1,0,1,0,0|2,0,0]=4 388 B13R2.162 OC1=CC2=C(C=C1)CNCC2O RT7840 [0,1,0,1,0,0|1,0,0]=3 389 B13R2.342 OC1=CC=CC2=C1CNCC2O RT7839 [0,1,0,1,0,0|1,0,0]=3 390 B13R2.342 OC1CCCC2=C1C=CC=C2Br YH95827 [0,1,0,1,0,0|2,0,0]=4 391 B13R2.371 O=C1NCC(O)C2=C1C=CC=C2 RT7909 [0,1,0,1,0,0|1,0,1]=4 392 B13R2.5252 CN1CCCNC2=CC=CC=C21 RT7769 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 YH53599 [0,1,0,1,0,0|1,0,1]=4 394 B13R2.3122 CC1(O)CCSC2=C1C=CC=C2 RT10492 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.18 ClC1=C(C2CCCN2)C=CC=C1 YH31189 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.18 FC1=C(C2CCCN2)C=CC=C1 LX2389 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.18 OC1=CC=CC=C1C2CCCC2 RT12371 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.11 CCC(C)C1=NC=CS1 XJ4408 [1,0,0,0,1,0|2,0,0]=4 399 B9R1.11 CNC(C)C1=CC=CS1 HL3673 [1,0,0,0,1,0|1,0,0]=3 400 B9R1.12 CCCCC1=CSC=C1 CJ2145 [1,0,0,0,1,0|2,0,0]=4 401 B9R1.12 CNCCC1=CNC=N1 HL0326 [1,0,0,0,1,0|2,0,0]=4