0 B12R1.27 C#CC(O)CCC1=CC=CC=C1 2902-1-00 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 4948-1-00 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 2624-1-02 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.27 NCC(O)COC1=CC=CC=C1 4656-5-0P [0,0,0,0,0,0|3,0,1]=4 4 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 2617-9-0P [0,0,0,0,0,0|2,0,2]=4 5 B11R1.28 BrCCOCC1=CC=CC=C1 2607-9-0K [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 BrCCSCC1=CC=CC=C1 5666-9-00 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 C=CCNCC1=CC=CC=C1 3631-1-0A [1,0,0,0,0,0|2,0,0]=3 8 B11R1.28 C=CCOCC1=CC=CC=C1 2907-1-17 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.28 CCCCCC1=CC=CC=C1 1700-1-25 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.28 CCCCCC1=CC=CC=N1 3H32-1-8W [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 CCCCCC1=CC=NC=C1 3H32-1-MQ [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 CCCNCC1=CC=CC=C1 3631-1-0J [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 CNCCCC1=CC=CC=C1 3731-1-X1 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.28 CNCCOC1=CC=CC=C1 4656-5-00 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 ClCCCOC1=CC=CC=C1 2607-5-0T [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 ClCCOCC1=CC=CC=C1 2607-5-1C [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 ClCCSCC1=CC=CC=C1 5666-5-0B [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 FCCCOC1=CC=CC=C1 2607-3-1A [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 N#CCCOC1=CC=CC=C1 4637-1-3E [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 N#CCNCC1=CC=CC=C1 3637-1-0K [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 NCCCCC1=CC=CC=C1 3730-1-48 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.28 NCCCOC1=CC=CC=C1 4656-5-2X [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 NCCNCC1=CC=CC=C1 3731-1-00 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 NCCOCC1=CC=CC=C1 4756-1-0P [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 NOCCOC1=CC=CC=C1 4647-5-08 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.28 NOCOCC1=CC=CC=C1 4656-1-4L [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 O=CCOCC1=CC=CC=C1 2615-1-08 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.28 O=C\C=N\NC1=CC=CC=C1 4639-1-04 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 OCCCCC1=CC=CN=C1 4H01-1-B4 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.28 OCCCCC1=CC=NC=C1 4H01-1-9W [1,0,0,0,0,0|1,0,2]=4 31 B11R1.28 OCCCNC1=CC=CC=C1 4656-1-A2 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.28 OCCCOC1=CC=CC=C1 4607-1-01 [1,0,0,0,0,0|1,0,2]=4 33 B11R1.91 C=C(C)OCC1=CC=CC=C1 2607-1-1T [1,0,0,0,0,0|1,0,1]=3 34 B11R1.91 CC(=O)C#CC1=CC=CC=C1 2617-1-1J [1,0,0,0,0,0|0,0,3]=4 35 B11R1.91 CC(=O)CSC1=CC=CC=C1 6666-1-X8 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.91 CC(=O)NCC1=CC=CC=C1 4648-1-4F [1,0,0,0,0,0|1,0,1]=3 37 B11R1.91 CC(=O)NCC1=CC=CN=C1 4H48-1-0X [1,0,0,0,0,0|2,0,1]=4 38 B11R1.91 CC(=O)NNC1=CC=CC=C1 4639-1-03 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.91 CC(=O)OCC1=CC=CC=C1 2623-1-4E [1,0,0,0,0,0|1,0,1]=3 40 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2617-1-0Z [1,0,0,0,0,0|0,0,3]=4 41 B11R1.91 CC(C)CCC1=CC=CC=C1 1700-1-38 [1,0,0,0,0,0|0,0,1]=2 42 B11R1.91 CC(C)NCC1=CC=NC=C1 3H31-1-A1 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.91 CC(Cl)COC1=CC=CC=C1 2607-5-24 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.91 CC(F)COC1=CC=CC=C1 2607-3-0C [1,0,0,0,0,0|2,0,0]=3 45 B11R1.91 CC(O)C#CC1=CC=CC=C1 2902-1-01 [1,0,0,0,0,0|0,0,3]=4 46 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 2602-1-R1 [1,0,0,0,0,0|0,0,1]=2 47 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 2602-1-S1 [1,0,0,0,0,0|0,0,1]=2 48 B11R1.91 N=C(N)CCC1=CC=CC=C1 3641-5-04 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.91 NC(=O)CCC1=CC=CC=C1 4648-1-2Y [1,0,0,0,0,0|1,0,1]=3 50 B11R1.91 NC(=O)CSC1=CC=CC=C1 8666-1-0K [1,0,0,0,0,0|2,0,1]=4 51 B11R1.91 NC(=O)NCC1=CC=CC=C1 4653-1-07 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.91 O=C(O)CCC1=CC=CC=N1 4H21-1-KE [1,0,0,0,0,0|2,0,1]=4 53 B11R1.91 O=C(O)CNC1=CC=CC=C1 4657-1-0D [1,0,0,0,0,0|2,0,1]=4 54 B11R1.91 O=C(O)CSC1=CC=CC=C1 6666-1-1S [1,0,0,0,0,0|2,0,1]=4 55 B13R1.254 C#CC(C)(O)CCC1=CC=CC=C1 2903-1-05 [0,1,0,0,0,0|1,0,1]=3 56 B13R1.254 CC(C)(CN)NCC1=CC=CC=C1 3630-5-30 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 2602-1-05 [0,1,0,0,0,0|1,0,1]=3 58 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O 8666-1-S3 [0,1,0,0,0,0|2,0,0]=3 59 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 2629-1-S8 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.417 OCC(CO)OCC1=CC=CC=C1 2607-1-1L [0,1,0,0,0,0|1,0,2]=4 61 B13R2.32 CN1C=CC2=CC=CC=C2C1=O 4H48-1-045 [0,0,0,1,0,0|1,0,2]=4 62 B13R2.32 CN1N=NC2=C(C=CC=C2)C1=O 4H48-1-02G [0,0,0,1,0,0|3,0,0]=4 63 B13R2.57 BrCC1CCC2=CC=CC=C2O1 2H10-9-X7 [0,0,0,1,0,0|2,0,1]=4 64 B13R2.57 N#CC1CCC2=C(C=CC=C2)O1 4H37-1-2A [0,0,0,1,0,0|2,0,1]=4 65 B13R2.57 NCC1COC2=C(C=CC=C2)C1 4H33-5-0V [0,0,0,1,0,0|2,0,1]=4 66 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 2H15-1-15 [0,0,0,1,0,0|1,0,2]=4 67 B13R2.57 O=CC1CCC2=C(C=CC=C2)O1 2H15-1-34 [0,0,0,1,0,0|1,0,0]=2 68 B13R2.57 O=NN1CCC2=C(C=CC=C2)C1 4H50-1-03 [0,0,0,1,0,0|2,0,0]=3 69 B13R2.57 OC[C@H]1CC2=CC=CC=C2CN1 4H56-1-0FF [0,0,0,1,0,0|1,0,2]=4 70 B13R2.373 NC1CN(C2=CC=CC=C2)C1=O 4630-5-03 [0,0,0,1,0,0|2,0,0]=3 71 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 3930-5-01 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.40 CC(CO)OC1=CC=CC=C1 2607-1-2Q [0,0,0,0,1,0|1,0,2]=4 73 B11R1.40 CCN(C)CC1=CC=CC=C1 3632-1-0C [0,0,0,0,1,0|2,0,1]=4 74 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 2915-1-00 [0,0,0,0,1,0|0,0,2]=3 75 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 3637-5-0H [0,0,0,0,1,0|2,0,1]=4 76 B11R1.40 N#CC(N)CC1=CC=CC=C1 3737-1-23 [0,0,0,0,1,0|2,0,1]=4 77 B11R1.40 N#CC(N)CC1=CC=CC=C1 3737-5-08 [0,0,0,0,1,0|2,0,1]=4 78 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 3737-1-27 [0,0,0,0,1,0|2,0,1]=4 79 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 3737-5-07 [0,0,0,0,1,0|2,0,1]=4 80 B11R1.40 N#C[C@H](N)CC1=CC=CC=C1 3737-1-22 [0,0,0,0,1,0|2,0,1]=4 81 B11R1.40 N#C[C@H](N)CC1=CC=CC=C1 4737-3-05 [0,0,0,0,1,0|2,0,1]=4 82 B11R1.40 NCC(O)CC1=CC=CC=C1 4656-1-2F [0,0,0,0,1,0|2,0,1]=4 83 B11R1.40 NCC(O)CC1=CC=CC=C1 4756-5-22 [0,0,0,0,1,0|2,0,1]=4 84 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 4656-1-X5 [0,0,0,0,1,0|1,0,2]=4 85 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 2915-9-01 [0,0,0,0,1,0|1,0,2]=4 86 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 4656-5-53 [0,0,0,0,0,1|1,0,2]=4 87 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 4756-1-0F [0,0,0,0,0,1|1,0,2]=4 88 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 4656-5-52 [0,0,0,0,0,1|1,0,2]=4 89 B13R1.718 OC(CCl)CNCC1=CC=CC=C1 4756-5-39 [0,0,0,0,0,1|2,0,1]=4 90 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 2607-1-R0 [0,0,0,0,0,1|1,0,2]=4 91 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 2607-1-S0 [0,0,0,0,0,1|1,0,2]=4 92 B10R1.17 BrCCSC1=CC=CC=C1 6666-9-05 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.17 C#CCCC1=CC=CC=C1 1900-1-0F [2,0,0,0,0,0|0,0,2]=4 94 B10R1.17 C=CCCC1=CC=CC=C1 1900-1-43 [2,0,0,0,0,0|0,0,1]=3 95 B10R1.17 C=CCNC1=CC=CC=C1 3631-1-0V [2,0,0,0,0,0|1,0,1]=4 96 B10R1.17 C=CCOC1=CC=CC=C1 2607-1-0K [2,0,0,0,0,0|1,0,1]=4 97 B10R1.17 C=COCC1=CC=CC=C1 2907-1-01 [2,0,0,0,0,0|1,0,1]=4 98 B10R1.17 CCCCC1=CC=CN=C1 3H32-1-JE [2,0,0,0,0,0|1,0,0]=3 99 B10R1.17 CCCC[N+]1=CC=CC=C1 3H33-5-1Z [2,0,0,0,0,0|1,0,0]=3 100 B10R1.17 CCCC[N+]1=CC=CC=C1 7H60-3-29 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.17 CCCC[N+]1=CC=CC=C1 7H73-3-01 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.17 CCCNC1=CC=CC=C1 3631-1-0M [2,0,0,0,0,0|1,0,0]=3 103 B10R1.17 CCCOC1=CC=CC=C1 2607-1-1S [2,0,0,0,0,0|1,0,0]=3 104 B10R1.17 CCNCC1=CC=CN=C1 3H31-1-3J [2,0,0,0,0,0|2,0,0]=4 105 B10R1.17 CCNCC1=CC=NC=C1 3H31-1-3L [2,0,0,0,0,0|2,0,0]=4 106 B10R1.17 CNCCC1=CC=CN=C1 3H31-5-64 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.17 CNCCC1=CC=NC=C1 3H31-1-17 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.17 CNCCC1=CC=NC=C1 3H31-5-93 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.17 COCCC1=CC=CC=C1 2607-1-0N [2,0,0,0,0,0|1,0,0]=3 110 B10R1.17 COCCC1=NC=CC=C1 4H07-1-6R [2,0,0,0,0,0|2,0,0]=4 111 B10R1.17 ClCCOC1=CC=CC=C1 2607-5-00 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.17 ClCOCC1=CC=CC=C1 2607-5-2Q [2,0,0,0,0,0|2,0,0]=4 113 B10R1.17 FCCNC1=CC=CC=C1 3631-3-0A [2,0,0,0,0,0|2,0,0]=4 114 B10R1.17 N#CCCC1=CC=CC=C1 3637-1-0U [2,0,0,0,0,0|1,0,1]=4 115 B10R1.17 NCCCC1=CC=CN=C1 3H30-1-FT [2,0,0,0,0,0|2,0,0]=4 116 B10R1.17 NCCSC1=CC=CC=C1 7H66-1-0L [2,0,0,0,0,0|2,0,0]=4 117 B10R1.17 O=C=NCC1=CC=CC=C1 4649-1-X4 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.17 O=CCCC1=CC=CC=C1 2615-1-0W [2,0,0,0,0,0|0,0,0]=2 119 B10R1.17 O=CCCC1=CC=CN=C1 4H15-1-1S [2,0,0,0,0,0|1,0,0]=3 120 B10R1.17 O=COCC1=CC=CC=C1 2615-1-0P [2,0,0,0,0,0|1,0,0]=3 121 B10R1.17 O=C\C=C\C1=CC=CC=C1 2915-1-02 [2,0,0,0,0,0|0,0,2]=4 122 B10R1.17 O=C\C=C\C1=CC=CC=C1 2915-1-0A [2,0,0,0,0,0|0,0,2]=4 123 B10R1.17 OCCCC1=CC=CC=C1 2601-1-0D [2,0,0,0,0,0|0,0,1]=3 124 B10R1.17 OCCCC1=CC=CC=N1 4H01-5-2G [2,0,0,0,0,0|1,0,1]=4 125 B10R1.17 OCCCC1=CC=NC=C1 4H01-1-74 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.17 OCCNC1=CC=CC=C1 4631-1-05 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.17 OCCSC1=CC=CC=C1 6666-1-03 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.17 SCCCC1=CC=NC=C1 7H61-1-03 [2,0,0,0,0,0|1,1,0]=4 129 B10R1.17 SCCCC1=CN=CC=C1 7H61-1-02 [2,0,0,0,0,0|1,1,0]=4 130 B10R1.17 SCCCC1=NC=CC=C1 7H61-1-01 [2,0,0,0,0,0|1,1,0]=4 131 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 3637-1-0A [2,0,0,0,0,0|1,0,1]=4 132 B10R1.17 [O-]CCNC1=CC=CC=C1 4656-1-7K [2,0,0,0,0,0|1,0,1]=4 133 B12R1.1 CCCCCC1=CC=C(N)C=C1 3730-1-58 [1,1,0,0,0,0|1,0,1]=4 134 B12R1.1 CCCCCC1=CC=C(O)C=C1 2701-1-06 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.8 CCCCCNC1=CC=CC=C1 3631-1-0R [1,1,0,0,0,0|1,0,1]=4 136 B12R1.8 CCCCNCC1=CC=CC=C1 3731-1-X5 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.8 CNCCNCC1=CC=CC=C1 3631-1-0Y [1,1,0,0,0,0|2,0,0]=4 138 B12R1.8 COCCNCC1=CC=CC=C1 4656-1-9W [1,1,0,0,0,0|2,0,0]=4 139 B12R1.8 ClCCCSCC1=CC=CC=C1 5666-5-0C [1,1,0,0,0,0|1,0,1]=4 140 B12R1.8 FCCCSCC1=CC=CC=C1 5666-3-1A [1,1,0,0,0,0|1,0,1]=4 141 B12R1.8 N#CCCOCC1=CC=CC=C1 4637-1-21 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.8 NCCCCOC1=CC=CC=C1 4656-1-9Z [1,1,0,0,0,0|1,0,1]=4 143 B12R1.8 NCCCNCC1=CC=CC=C1 3731-1-02 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.8 NCCCOCC1=CC=CC=C1 4H56-1-06S [1,1,0,0,0,0|1,0,1]=4 145 B12R1.8 OCCCNCC1=CC=CC=C1 4631-1-0F [1,1,0,0,0,0|0,0,2]=4 146 B12R1.8 OCCCOCC1=CC=CC=C1 2707-1-01 [1,1,0,0,0,0|0,0,2]=4 147 B12R1.30 CNCCC(O)C1=CC=CC=C1 4656-1-81 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 4656-1-S00 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.252 CC(=O)NCCC1=CC=CC=C1 4748-1-31 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.252 N=C(N)NCCC1=CC=CC=C1 3641-5-00 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.252 NC(=O)COCC1=CC=CC=C1 4H48-1-06L [1,1,0,0,0,0|1,0,0]=3 152 B12R1.252 NC(=O)NOCC1=CC=CC=C1 4653-1-09 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 2616-5-0L [1,1,0,0,0,0|0,0,0]=2 154 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 2616-5-21 [1,1,0,0,0,0|1,0,0]=3 155 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 2616-5-0K [1,1,0,0,0,0|1,0,0]=3 156 B12R1.252 O=C(O)CCNC1=CC=CC=C1 4631-1-0D [1,1,0,0,0,0|1,0,0]=3 157 B12R1.252 O=C(O)CCSC1=CC=CC=C1 6666-1-04 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.252 O=C(O)CNCC1=CC=CC=C1 4757-1-17 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.252 OB(O)CCCC1=CC=CC=C1 6660-1-1L [1,1,0,0,0,0|1,0,1]=4 160 B12R1.267 C=CCOCC1=C(F)C=CC=C1 2607-3-7Z [1,1,0,0,0,0|2,0,0]=4 161 B12R1.21 C=C(Br)CCC1=CC=C(Br)C=C1 1900-9-13 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.21 C=C(Br)CCC1=CC=C(C)C=C1 1900-9-07 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.21 C=C(Br)CCC1=CC=C(Cl)C=C1 1900-D-01 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.21 C=C(C)CCC1=CC=C(Br)C=C1 1900-9-02 [1,1,0,0,0,0|0,0,1]=3 165 B12R1.21 C=C(C)CCC1=CC=C(C)C=C1 1900-1-11 [1,1,0,0,0,0|0,0,1]=3 166 B12R1.21 C=C(C)CCC1=CC=C(Cl)C=C1 1900-5-09 [1,1,0,0,0,0|0,0,1]=3 167 B12R1.21 C=C(Cl)CCC1=CC=C(Br)C=C1 1900-D-07 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.21 C=C(Cl)CCC1=CC=C(C)C=C1 1900-5-19 [1,1,0,0,0,0|1,0,1]=4 169 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 1900-5-25 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 2717-3-29 [1,1,0,0,0,0|0,0,1]=3 171 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 2617-3-3B [1,1,0,0,0,0|1,0,1]=4 172 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 4748-3-19 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 2723-1-17 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.21 CC(F)CNC1=CC=C(O)C=C1 4656-3-0R [1,1,0,0,0,0|2,0,0]=4 175 B12R1.21 CC(F)COC1=CC=C(Br)C=C1 2607-B-0B [1,1,0,0,0,0|2,0,0]=4 176 B12R1.21 CC(F)COC1=CC=C(N)C=C1 4656-3-0Q [1,1,0,0,0,0|2,0,0]=4 177 B12R1.21 CC(F)COC1=CC=C(O)C=C1 2607-3-0D [1,1,0,0,0,0|2,0,0]=4 178 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 4756-5-X4 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 2617-1-0H [1,1,0,0,0,0|1,0,1]=4 180 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 2617-1-2G [1,1,0,0,0,0|0,0,2]=4 181 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 4648-5-R0 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 4657-1-1E [1,1,0,0,0,0|1,0,1]=4 183 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 4757-1-S0 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 2629-1-2L [1,1,0,0,0,0|1,0,1]=4 185 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 2621-9-S1 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 2629-1-S2 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 2629-1-R2 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 4648-1-4Y [1,1,0,0,0,0|1,0,1]=4 189 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 2623-1-2B [1,1,0,0,0,0|1,0,1]=4 190 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 2617-1-1Z [1,1,0,0,0,0|0,0,2]=4 191 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 3H30-1-HM [1,1,0,0,0,0|1,0,1]=4 192 B12R1.107 CC(C)CC(N)C1=CC=NC=C1 3H30-1-HL [1,1,0,0,0,0|1,0,1]=4 193 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 3H30-1-UC [1,1,0,0,0,0|1,0,1]=4 194 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 4657-1-S5 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 4630-1-R0 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 2629-1-3V [1,1,0,0,0,0|1,0,1]=4 197 B12R1.125 C=C(Br)CCC1=CC=CC=C1C 1900-9-11 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.125 C=C(Br)CCC1=CC=CC=C1Cl 1900-D-05 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.125 C=C(C)CCC1=CC=CC=C1Br 1900-9-17 [1,1,0,0,0,0|0,0,1]=3 200 B12R1.125 C=C(C)CCC1=CC=CC=C1C 1900-1-19 [1,1,0,0,0,0|0,0,1]=3 201 B12R1.125 C=C(C)CCC1=CC=CC=C1Cl 1900-5-13 [1,1,0,0,0,0|0,0,1]=3 202 B12R1.125 C=C(Cl)CCC1=C(Cl)C=CC=C1 1900-5-29 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.125 C=C(Cl)CCC1=CC=CC=C1C 1900-5-23 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.125 CC(C)COC1=C(O)C=CC=C1 2607-1-2S [1,1,0,0,0,0|1,0,1]=4 205 B12R1.125 CC(F)CNC1=C(O)C=CC=C1 4656-3-9L [1,1,0,0,0,0|2,0,0]=4 206 B12R1.125 CC(F)COC1=C(Br)C=CC=C1 2607-B-0C [1,1,0,0,0,0|2,0,0]=4 207 B12R1.125 CC(F)COC1=C(O)C=CC=C1 2607-3-5Z [1,1,0,0,0,0|2,0,0]=4 208 B12R1.125 O=C(Cl)CCC1=CC=CC=C1F 2716-7-X6 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.125 O=C(O)CCC1=CC=CC=C1I 2721-H-06 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.226 C=C(Br)CCC1=CC=CC(Br)=C1 1900-9-15 [1,1,0,0,0,0|1,0,1]=4 211 B12R1.226 C=C(Br)CCC1=CC=CC(C)=C1 1900-9-09 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.226 C=C(Br)CCC1=CC=CC(Cl)=C1 1900-D-03 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.226 C=C(C)CCC1=CC=CC(Br)=C1 1900-9-05 [1,1,0,0,0,0|0,0,1]=3 214 B12R1.226 C=C(C)CCC1=CC=CC(C)=C1 1900-1-15 [1,1,0,0,0,0|0,0,1]=3 215 B12R1.226 C=C(C)CCC1=CC=CC(Cl)=C1 1900-5-11 [1,1,0,0,0,0|0,0,1]=3 216 B12R1.226 C=C(Cl)CCC1=CC=CC(Br)=C1 1900-D-09 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.226 C=C(Cl)CCC1=CC=CC(C)=C1 1900-5-21 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.226 C=C(Cl)CCC1=CC=CC(Cl)=C1 1900-5-27 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 2617-9-0B [1,1,0,0,0,0|0,0,1]=3 220 B12R1.226 CC(F)CNC1=CC=CC(O)=C1 4656-3-8S [1,1,0,0,0,0|2,0,0]=4 221 B12R1.226 CC(F)COC1=CC=CC(Br)=C1 2607-B-0A [1,1,0,0,0,0|2,0,0]=4 222 B12R1.226 CC(F)COC1=CC=CC(O)=C1 2607-3-5H [1,1,0,0,0,0|2,0,0]=4 223 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 2602-1-04 [1,1,0,0,0,0|0,0,1]=3 224 B12R1.891 CC(F)(F)COC1=CC=CC=C1 2607-3-6G [1,1,0,0,0,0|2,0,0]=4 225 B12R1.891 CS(=O)(=O)SCC1=CC=CC=C1 6764-1-06 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 1700-3-X7 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 6777-1-03 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 4656-1-SP [0,1,0,0,1,0|0,0,2]=4 229 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 6666-1-0E [0,1,0,0,1,0|1,0,0]=3 230 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 2602-1-00 [0,1,0,0,1,0|1,0,1]=4 231 B14R1.546 OCC(CO)COCC1=CC=CC=C1 2607-1-22 [0,1,0,0,0,1|0,0,2]=4 232 B14R1.6449 N[C@@H](CNCC1=CC=CC=C1)C(=O)O 4657-1-SG [0,1,0,0,0,1|1,0,0]=3 233 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 4657-1-SM [0,1,0,0,0,1|1,0,0]=3 234 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O 4657-1-SL [0,1,0,0,0,1|1,0,1]=4 235 B14R1.6449 N[C@H](CNCC1=CC=CC=C1)C(=O)O 4657-1-RG [0,1,0,0,0,1|1,0,0]=3 236 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O 4157-1-RM [0,1,0,0,0,1|1,0,0]=3 237 B14R1.6449 N[C@H](C\C=C\C1=CC=CC=C1)C(=O)O 4657-1-RL [0,1,0,0,0,1|1,0,1]=4 238 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O 4658-1-6T [0,2,0,0,0,0|1,0,1]=4 239 B14R1.415 CC(SC(=S)C1=CC=CC=C1)C(=O)O 6667-1-01 [0,2,0,0,0,0|1,0,1]=4 240 B14R1.415 C[C@@H](NC(=O)C1=CC=CC=C1)C(=O)O 4658-1-R0P [0,2,0,0,0,0|1,0,1]=4 241 B14R1.679 NC(CCC1=CC=C(Br)C=C1)C(=O)O 4H58-9-5U [0,2,0,0,0,0|1,0,0]=3 242 B14R1.679 NC(CCC1=CC=C(Cl)C=C1)C(=O)O 4658-5-0P [0,2,0,0,0,0|1,0,0]=3 243 B14R1.679 NC(CCC1=CC=C(F)C=C1)C(=O)O 4657-3-0D [0,2,0,0,0,0|1,0,0]=3 244 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O 4657-1-60 [0,2,0,0,0,0|1,0,0]=3 245 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 4657-1-S4 [0,2,0,0,0,0|1,0,0]=3 246 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 4H57-1-0A [0,2,0,0,0,0|1,0,0]=3 247 B12R2.1 O=NN1CCC2=CC=CC=C21 4H45-1-0F [1,0,0,1,0,0|2,0,0]=4 248 B12R2.2 C1=CC=C(C2CCNC2)C=C1 3H31-1-N0 [1,0,0,1,0,0|2,0,0]=4 249 B12R2.2 C1=CC=C(C2CCNC2)C=C1 3H31-5-00 [1,0,0,1,0,0|2,0,0]=4 250 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 3631-1-S3 [1,0,0,1,0,0|1,0,1]=4 251 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 3H31-5-04 [1,0,0,1,0,0|2,0,0]=4 252 B12R2.27 O=CC1CC1C2=CC=NC=C2 4H15-1-2W [1,0,0,1,0,0|1,0,0]=3 253 B12R2.41 C1=CC=C2CNCCCC2=C1 3H33-5-0X [1,0,0,1,0,0|2,0,0]=4 254 B12R2.41 C1=CC=C2NCCCCC2=C1 3H31-1-CT [1,0,0,1,0,0|1,0,1]=4 255 B12R2.1081 CN1CCCC2=CC=CC=C21 3H32-1-JW [1,0,0,1,0,0|2,0,0]=4 256 B12R2.1081 NC1CCCC2=CC=CC=C21 3630-1-0D [1,0,0,1,0,0|1,0,1]=4 257 B12R2.1081 NN1CCCC2=C1C=CC=C2 3H39-1-0D [1,0,0,1,0,0|2,0,0]=4 258 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 3730-1-R1 [1,0,0,1,0,0|1,0,1]=4 259 B12R2.1081 O=C1CCCC2=C1C=CC=N2 4H17-1-Y9 [1,0,0,1,0,0|1,0,0]=3 260 B12R2.1081 O=C1CCNC2=CC=CC=C12 4H17-5-3J [1,0,0,1,0,0|1,0,0]=3 261 B12R2.1081 O=C1CCOC2=CC=CN=C12 4H17-1-7S [1,0,0,1,0,0|2,0,0]=4 262 B12R2.1081 O=C1CNNC2=C1C=CC=C2 4H33-5-0N [1,0,0,1,0,0|2,0,0]=4 263 B12R2.1081 O=C1COCC2=CC=CC=C12 2H10-1-48 [1,0,0,1,0,0|1,0,0]=3 264 B12R2.1081 O=C1NCCC2=CC=CN=C12 4H48-1-05G [1,0,0,1,0,0|2,0,0]=4 265 B12R2.1081 O=C1OCCC2=C1C=NC=C2 4H56-1-HB [1,0,0,1,0,0|2,0,0]=4 266 B12R2.1081 S=C1NCCC2=CC=CC=C12 8H69-1-8G [1,0,0,1,0,0|1,1,0]=4 267 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 3H31-1-5Z [1,0,0,1,0,0|2,0,0]=4 268 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4H48-1-GG [1,0,0,1,0,0|1,0,1]=4 269 B12R2.24 CC1CC2=CC=CC=C2CN1 3H31-1-7E [1,0,0,1,0,0|1,0,1]=4 270 B12R2.24 CC1CCC2=CC=CC=C2N1 3H31-1-CU [1,0,0,1,0,0|1,0,0]=3 271 B12R2.24 CC1CNC2=CC=CC=C2O1 4H44-1-40 [1,0,0,1,0,0|1,0,1]=4 272 B12R2.24 CC1CNC2=CC=CC=C2S1 7H70-1-X6 [1,0,0,1,0,0|1,1,0]=4 273 B12R2.24 CC1COC2=CC=CC=C2N1 4H56-1-958 [1,0,0,1,0,0|2,0,0]=4 274 B12R2.24 NC1CCC2=CC=CC=C2C1 3633-5-02 [1,0,0,1,0,0|1,0,0]=3 275 B12R2.24 NC1COC2=C(C=CC=C2)C1 4H30-5-0T [1,0,0,1,0,0|2,0,0]=4 276 B12R2.24 N[C@@H]1COC2=CC=CC=C2C1 4H30-5-11 [1,0,0,1,0,0|2,0,0]=4 277 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4H30-5-08 [1,0,0,1,0,0|2,0,0]=4 278 B12R2.24 O=C1CC2=CC=CC=C2CN1 4H48-1-5E [1,0,0,1,0,0|1,0,1]=4 279 B12R2.24 O=C1CC2=CC=CC=C2CO1 2625-1-04 [1,0,0,1,0,0|1,0,1]=4 280 B12R2.24 O=C1CCC2=CC=CC=C2O1 2625-1-03 [1,0,0,1,0,0|1,0,1]=4 281 B12R2.24 O=C1CSC2=CC=CC=C2C1 6H17-1-0C [1,0,0,1,0,0|1,0,1]=4 282 B12R2.24 OC1CNC2=C(C=CC=C2)C1 4H01-1-61 [1,0,0,1,0,0|1,0,1]=4 283 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 1700-5-32 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.18 CC1CC2=CC=CC=C2N1N 3H30-5-00 [0,0,0,1,1,0|2,0,0]=4 285 B12R2.18 CN1CC2=NC=CC=C2C1=O 4H48-1-33 [0,0,0,1,1,0|2,0,0]=4 286 B12R2.18 NC1CC2=CC=CC=C2C1=O 4656-5-2U [0,0,0,1,1,0|1,0,0]=3 287 B12R2.18 O=C1C2=CC=CC=C2CC1Br 2717-9-13 [0,0,0,1,1,0|1,0,0]=3 288 B12R2.18 O=C1CC2=CC=CC=C2C1=O 2618-1-0J [0,0,0,1,1,0|1,0,1]=4 289 B12R2.32 NNC1CC2=CC=CC=C2C1 3739-5-07 [0,0,0,1,1,0|2,0,0]=4 290 B12R2.32 OCC1CC2=CC=CC=C2C1 2601-1-0Z [0,0,0,1,1,0|0,0,2]=4 291 B14R2.8 OCC1CCN(C2=CC=CC=C2)C1 4H56-1-0LJ [0,0,0,1,0,1|0,0,2]=4 292 B14R2.90 CNC1CN(CC2=CC=CC=C2)C1 3H31-1-7J [0,0,0,1,0,1|2,0,0]=4 293 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O 4H17-1-62 [0,1,0,1,0,0|1,0,0]=3 294 B14R2.29369 O=C1C2=C(C=C(Br)C=C2)CCC1Br 2607-9-0A [0,1,0,1,0,0|1,0,0]=3 295 B14R2.29369 O=C1C2=CC=C(Cl)N=C2CCC1Cl 4H56-5-CE [0,1,0,1,0,0|2,0,0]=4 296 B14R2.101 C1=CC=C(CCC2CCCN2)C=C1 3H31-1-T2 [0,1,0,1,0,0|1,0,1]=4 297 B14R2.101 C1=CC=C(CCC2CCNC2)C=C1 3631-1-X1 [0,1,0,1,0,0|1,0,1]=4 298 B14R2.101 C1=CC=C(COC2CC=CC2)C=C1 2607-1-1J [0,1,0,1,0,0|2,0,0]=4 299 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 2617-1-06 [0,1,0,1,0,0|1,0,0]=3 300 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 2H26-1-0E [0,1,0,1,0,0|1,0,1]=4 301 B14R2.741 CC1CNC2=CC=CC=C2NC1=O 4H48-1-9F [0,1,0,1,0,0|1,0,0]=3 302 B14R2.741 O=C1NC2=CC=CC=C2CCC1Cl 4H48-5-GS [0,1,0,1,0,0|1,0,0]=3 303 B14R2.8188 CN1C(=O)CC2=CC=CC=C2C1=O 4H48-1-02K [0,1,0,1,0,0|1,0,1]=4 304 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 2621-1-0C [0,1,0,1,0,0|0,0,0]=2 305 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 2H16-5-10 [0,1,0,1,0,0|2,0,0]=4 306 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 2H21-1-72 [0,1,0,1,0,0|1,0,0]=3 307 B14R2.781 O=C(O)C1CCC2=CC=CC=C2C1 2621-1-2E [0,1,0,1,0,0|0,0,0]=2 308 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 4H58-1-086 [0,1,0,1,0,0|1,0,0]=3 309 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)O1 4H21-1-MB [0,1,0,1,0,0|2,0,0]=4 310 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 4H58-1-087 [0,1,0,1,0,0|1,0,0]=3 311 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 2H21-1-0T [0,1,0,1,0,0|1,0,0]=3 312 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 4H57-1-S3 [0,1,0,1,0,0|1,0,0]=3 313 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 4H57-1-R2 [0,1,0,1,0,0|1,0,0]=3 314 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 4H21-1-RF [0,1,0,1,0,0|1,0,0]=3 315 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 2H21-1-R3 [0,1,0,1,0,0|2,0,0]=4 316 B14R2.781 [C@@H]1(C(=O)O)COC2=CC=CC=C2O1 2H21-1-S3 [0,1,0,1,0,0|2,0,0]=4 317 B14R2.92 O=CC1=C(Cl)C2=C(C=CC=C2)CC1 2615-5-0L [0,1,0,1,0,0|0,0,2]=4 318 B10R1.18 CC(=O)CC1=CC=CC=N1 4H17-1-3W [1,0,0,0,1,0|1,0,1]=4 319 B10R1.18 CC(=O)CC1=CC=CN=C1 4H17-1-3P [1,0,0,0,1,0|1,0,1]=4 320 B10R1.18 CC(=O)NC1=CC=CC=C1 4648-1-5B [1,0,0,0,1,0|1,0,1]=4 321 B10R1.18 CC(=O)SC1=CC=CC=C1 6666-1-0N [1,0,0,0,1,0|1,0,1]=4 322 B10R1.18 CC(Br)CC1=CC=CC=C1 1700-9-75 [1,0,0,0,1,0|1,0,0]=3 323 B10R1.18 CC(C)NC1=CC=CC=C1 3631-1-0P [1,0,0,0,1,0|1,0,1]=4 324 B10R1.18 CC(N)CC1=CC=CC=N1 3H30-1-9F [1,0,0,0,1,0|2,0,0]=4 325 B10R1.18 CC(N)CC1=CC=CN=C1 3H30-1-3R [1,0,0,0,1,0|2,0,0]=4 326 B10R1.18 CC(O)CC1=CC=CC=C1 2702-1-04 [1,0,0,0,1,0|0,0,1]=3 327 B10R1.18 FC(Br)CC1=CC=CC=C1 1700-B-61 [1,0,0,0,1,0|2,0,0]=4 328 B10R1.18 FC(F)CC1=CC=CC=C1 1700-3-Y8 [1,0,0,0,1,0|2,0,0]=4 329 B10R1.18 O=C([O-])CC1=CC=CC=C1 2722-1-40 [1,0,0,0,1,0|1,0,1]=4 330 B10R1.15 CC(C#N)C1=CC=CC=C1 3637-1-1F [0,0,0,0,2,0|1,0,1]=4 331 B10R1.15 CC(CO)C1=CC=CC=C1 2601-1-0V [0,0,0,0,2,0|0,0,2]=4 332 B10R1.15 CN(N=O)C1=CC=CC=C1 4645-1-0A [0,0,0,0,2,0|2,0,0]=4 333 B10R1.15 CNC(C)C1=CC=CC=C1 3631-1-0N [0,0,0,0,2,0|2,0,0]=4 334 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 3631-1-S2 [0,0,0,0,2,0|2,0,0]=4 335 B10R1.15 CN[C@H](C)C1=CC=CC=C1 3631-1-R2 [0,0,0,0,2,0|2,0,0]=4 336 B10R1.15 [C-]#[N+]C(C)C1=CC=CC=C1 3637-1-0B [0,0,0,0,2,0|2,0,0]=4