0 B13R1.351 CN(C)C(=O)CCC1=CC=NC=C1 4H48-1-7K [0,0,0,0,0,0|3,0,0]=3 1 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 4656-1-9N [0,0,0,0,0,0|2,0,0]=2 2 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 4658-5-S4 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 2629-1-S4 [0,0,0,0,0,0|1,0,0]=1 4 B13R1.351 O=C(C#CC1=CC=CC=C1)C(F)F 2917-3-24 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.351 O=C(OCC1=CC=CC=C1)C(F)Cl 2623-7-01 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 2923-1-28 [1,0,0,0,0,0|0,0,2]=3 7 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 4948-1-00 [1,0,0,0,0,0|1,0,2]=4 8 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 2624-1-02 [1,0,0,0,0,0|0,0,2]=3 9 B12R1.27 COC(=O)CCC1=CC=NC=C1 4H23-1-HZ [1,0,0,0,0,0|3,0,0]=4 10 B12R1.27 COC(=O)CSC1=CC=CC=C1 6666-1-25 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4658-1-6S [1,0,0,0,0,0|1,0,0]=2 12 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 2617-9-0P [1,0,0,0,0,0|2,0,0]=3 13 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 2623-9-X0 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.27 O=C(CCl)COC1=CC=CC=C1 2617-5-38 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 2623-5-0V [1,0,0,0,0,0|1,0,0]=2 16 B12R1.27 O=C(CO)OCC1=CC=CC=C1 2629-1-2N [1,0,0,0,0,0|1,0,0]=2 17 B12R1.252 CC(C)CNCC1=CC=CC=C1 3631-1-0U [1,0,0,0,0,0|1,0,1]=3 18 B12R1.252 CC(F)CSCC1=CC=CC=C1 5666-3-0B [1,0,0,0,0,0|1,1,1]=4 19 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 2607-1-R4 [1,0,0,0,0,0|1,0,1]=3 20 B12R1.252 FC(F)\C=N\CC1=CC=CC=C1 3635-3-00 [1,0,0,0,0,0|3,0,0]=4 21 B14R1.679 CN(C)C(=O)CCC1=CC=C(N)C=C1 4648-1-6B [0,1,0,0,0,0|2,0,0]=3 22 B14R1.3099 CC(C)(C)C(=O)CCC1=CC=CN=C1 4H56-1-0A6 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.3099 CC(C)(C)[S@@](=O)\N=C\C1=CC=CC=C1 8669-1-R0 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.3099 CC(C)(C)[S@](=O)\N=C\C1=CC=CC=C1 8669-1-S0 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 2629-1-3M [0,1,0,0,0,0|0,0,0]=1 26 B14R1.3099 O=C(OCC1=CC=CC=C1)C(F)(F)F 2623-3-23 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O 4H17-1-62 [0,0,0,1,0,0|2,0,0]=3 28 B12R1.43 C=C(C)C(=O)NC1=CC=CC=C1 4648-1-1G [0,0,0,0,1,0|1,0,2]=4 29 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 4648-9-Y3 [0,0,0,0,1,0|2,0,0]=3 30 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 2617-1-2G [0,0,0,0,1,0|0,0,0]=1 31 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 2623-1-3U [0,0,0,0,1,0|0,0,0]=1 32 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 4648-1-4L [0,0,0,0,1,0|1,0,0]=2 33 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 4653-1-03 [0,0,0,0,1,0|2,0,0]=3 34 B12R1.43 CN(C)C(=O)OC1=CC=CN=C1 4H51-1-94 [0,0,0,0,1,0|2,0,0]=3 35 B12R1.43 CN(C)C(=S)CC1=CC=CC=C1 7667-1-0A [0,0,0,0,1,0|1,1,0]=3 36 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 4H48-1-UZ [0,0,0,0,0,1|2,0,1]=4 37 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 2623-1-3B [0,0,0,0,0,1|2,0,1]=4 38 B14R1.6449 CC(C)C(=O)COCC1=CC=CC=C1 2717-1-13 [0,0,0,0,0,1|0,0,0]=1 39 B14R1.6449 CN(C)C(=O)COCC1=CC=CC=C1 4748-1-04 [0,0,0,0,0,1|1,0,0]=2 40 B11R1.28 BrCCOCC1=CC=CC=C1 2607-9-0K [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 CCCCCC1=CC=CC=C1 1700-1-25 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.28 CCCNCC1=CC=CC=C1 3631-1-0J [2,0,0,0,0,0|1,0,1]=4 43 B11R1.28 ClCCOCC1=CC=CC=C1 2607-5-1C [2,0,0,0,0,0|1,0,1]=4 44 B11R1.28 NCCOCC1=CC=CC=C1 4756-1-0P [2,0,0,0,0,0|1,0,1]=4 45 B11R1.91 C=C(C)OCC1=CC=CC=C1 2607-1-1T [2,0,0,0,0,0|1,0,0]=3 46 B11R1.91 CC(=O)C#CC1=CC=CC=C1 2617-1-1J [2,0,0,0,0,0|1,0,1]=4 47 B11R1.91 CC(=O)CSC1=CC=CC=C1 6666-1-X8 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.91 CC(=O)NCC1=CC=CC=C1 4648-1-4F [2,0,0,0,0,0|1,0,0]=3 49 B11R1.91 CC(=O)NCC1=CC=CN=C1 4H48-1-0X [2,0,0,0,0,0|2,0,0]=4 50 B11R1.91 CC(=O)NNC1=CC=CC=C1 4639-1-03 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.91 CC(=O)OCC1=CC=CC=C1 2623-1-4E [2,0,0,0,0,0|0,0,0]=2 52 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2617-1-0Z [2,0,0,0,0,0|1,0,1]=4 53 B11R1.91 NC(=O)CCC1=CC=CC=C1 4648-1-2Y [2,0,0,0,0,0|2,0,0]=4 54 B11R1.91 NC(=O)NCC1=CC=CC=C1 4653-1-07 [2,0,0,0,0,0|2,0,0]=4 55 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 4656-1-RU [1,1,0,0,0,0|2,0,0]=4 56 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 4658-5-S5 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.11 C[C@@H](NC(=O)CCl)C1=CC=CC=C1 4648-5-R1 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 2623-3-2J [1,1,0,0,0,0|2,0,0]=4 59 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 4658-1-1E [1,1,0,0,0,0|2,0,0]=4 60 B13R1.14 O=C(CCl)NCC1=CC=C(Cl)C=C1 4648-5-1J [1,1,0,0,0,0|2,0,0]=4 61 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 2623-3-2G [1,1,0,0,0,0|2,0,0]=4 62 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 2629-1-3P [1,1,0,0,0,0|2,0,0]=4 63 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 2923-1-04 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 2723-1-24 [1,1,0,0,0,0|1,0,0]=3 65 B13R1.42 CCOC(=O)CCC1=CC=CC=N1 4H23-1-H0 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.42 CCOC(=O)COC1=CC=CC=C1 2623-1-3W [1,1,0,0,0,0|2,0,0]=4 67 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 4648-5-2B [1,1,0,0,0,0|1,0,0]=3 68 B13R1.42 O=C(CCCl)OCC1=CC=CC=C1 2623-5-0X [1,1,0,0,0,0|0,0,0]=2 69 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 2623-3-2K [1,1,0,0,0,0|0,0,0]=2 70 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 2629-1-3E [1,1,0,0,0,0|0,0,0]=2 71 B13R1.135 C=C(CC1=CC=CC=C1)C(=O)OC 2623-1-2M [1,1,0,0,0,0|2,0,0]=4 72 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 2623-5-54 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 2629-1-3D [1,1,0,0,0,0|2,0,0]=4 74 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 2629-1-S9 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 2629-1-R9 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.528 COC(=O)CCC1=CC=CC=C1F 2623-3-2H [1,1,0,0,0,0|2,0,0]=4 77 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 2623-1-3V [1,1,0,0,0,0|0,0,2]=4 78 B13R1.149 CC(C)CNCC1=CC(F)=CC=C1 3631-3-0K [1,1,0,0,0,0|1,0,1]=4 79 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 2602-1-06 [1,1,0,0,0,0|1,0,1]=4 80 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 4656-5-53 [1,1,0,0,0,0|1,0,1]=4 81 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 4756-1-0F [1,1,0,0,0,0|1,0,1]=4 82 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 4656-5-52 [1,1,0,0,0,0|1,0,1]=4 83 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 2607-1-R0 [1,1,0,0,0,0|1,0,1]=4 84 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 2607-1-S0 [1,1,0,0,0,0|1,0,1]=4 85 B13R1.133 CC(Br)C(=O)NC1=CC=C(Br)C=C1 4648-9-36 [0,1,0,0,1,0|2,0,0]=4 86 B13R1.133 CC(Cl)C(=O)NC1=CC=C(Cl)C=C1 4648-5-80 [0,1,0,0,1,0|2,0,0]=4 87 B13R1.133 CN(C)C(=O)CC1=CC=C(O)C=C1 4748-1-X4 [0,1,0,0,1,0|1,0,0]=3 88 B13R1.202 CC(Br)C(=O)NC1=CC=CC=C1F 4648-B-17 [0,1,0,0,1,0|2,0,0]=4 89 B13R1.202 C[C@H](N)C(=O)NC1=CC=CC=C1F 4648-7-35 [0,1,0,0,1,0|2,0,0]=4 90 B13R1.353 CC(C)(C)C(=O)CC1=CC=CC=N1 4H17-1-0C [0,1,0,0,1,0|1,0,0]=3 91 B13R1.353 CC(C)(C)C(=O)NC1=CC=CN=C1 4H48-1-064 [0,1,0,0,1,0|2,0,0]=4 92 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 4656-1-8U [0,1,0,0,0,1|0,0,0]=2 93 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 4158-1-S3 [0,1,0,0,0,1|0,0,0]=2 94 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CN=C1 4H56-1-0A5 [0,1,0,0,0,1|2,0,0]=4 95 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCC1=CC=CC=C1 4658-5-0H [0,1,0,0,0,1|1,0,0]=3 96 B15R1.1321 CON(C)C(=O)COCC1=CC=CC=C1 4756-1-38 [0,1,0,0,0,1|1,0,0]=3 97 B15R1.9095 CC(C)(C)C(=O)COCC1=CC=CC=C1 2717-1-12 [0,1,0,0,0,1|0,0,0]=2 98 B15R1.894 CC(C)(C)C(=O)\C=C\C1=CC=C(Cl)C=C1 2917-5-85 [0,2,0,0,0,0|1,0,1]=4 99 B15R1.348 CC(C)(CCl)C(=O)NCC1=CC=CC=C1 4748-5-06 [0,2,0,0,0,0|1,0,0]=3 100 B15R1.826 COC[C@@H](N)C(=O)NCC1=CC=CC=C1 4656-1-RG [0,2,0,0,0,0|2,0,0]=4 101 B15R1.5455 CN(C)C(=O)OCC1=CC(Cl)=NC(Cl)=C1 4H51-5-48 [0,2,0,0,0,0|2,0,0]=4 102 B13R2.10 O=C1CCC(C2=CC=CC=C2)O1 2H25-1-2C [1,0,0,1,0,0|0,0,0]=2 103 B13R2.33 O=C1CCC2=C(C=CC=C2)CN1 4H48-1-8P [1,0,0,1,0,0|1,0,0]=3 104 B13R2.33 O=C1CCC2=CC=CC=C2CC1 2617-1-40 [1,0,0,1,0,0|1,0,0]=3 105 B13R2.33 O=C1CNC2=CC=CC=C2CN1 4H48-1-05P [1,0,0,1,0,0|2,0,0]=4 106 B13R2.359 CC1(C)C(=O)NC2=CC=CC=C21 4H48-1-03Y [0,0,0,1,1,0|1,0,0]=3 107 B13R2.359 CC1(C)C(=O)NC2=NC=CC=C21 4H48-1-84 [0,0,0,1,1,0|2,0,0]=4 108 B13R2.369 CC1NC2=CC=CC=C2NC1=O 4H48-1-AF [0,0,0,1,1,0|2,0,0]=4 109 B13R2.369 CC1SC2=C(C=CC=C2)NC1=O 8H70-1-5E [0,0,0,1,1,0|2,0,0]=4 110 B13R2.369 CN1CC2=CC=CC=C2NC1=O 4H53-1-0T [0,0,0,1,1,0|2,0,0]=4 111 B13R2.369 NC1CC2=CC=CC=C2NC1=O 4H48-1-0A [0,0,0,1,1,0|2,0,0]=4 112 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 4H30-1-32 [0,0,0,1,0,1|2,0,0]=4 113 B15R2.327 CC1(C)OC(=O)N[C@@H]1C2=CC=CC=C2 G311-A-05 [0,0,0,1,0,1|1,0,0]=3 114 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 2623-1-4F [0,0,0,1,0,1|0,0,0]=2 115 B15R2.1530 O=C(\C=C\C1=CC=C(Br)C=C1)C2CC2 2918-9-01 [0,1,0,1,0,0|1,0,1]=4 116 B15R2.24490 O=C(OCC1=CC=CC=C1)C2CNC2 4H58-1-495 [0,1,0,1,0,0|0,0,0]=2 117 B15R2.24493 CC1(C(=O)\C=C\C2=CC=CC=C2)CO1 2917-1-92 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.40 C=CC(=O)OC1=CC=CC=C1 2623-1-2E [1,0,0,0,1,0|0,0,2]=4 119 B11R1.40 CCC(=O)CC1=CC=CC=C1 2617-1-1R [1,0,0,0,1,0|0,0,0]=2 120 B11R1.40 CCC(=O)OC1=CC=CC=C1 2623-1-3A [1,0,0,0,1,0|0,0,0]=2 121 B11R1.40 CCN(C)CC1=CC=CC=C1 3632-1-0C [1,0,0,0,1,0|2,0,0]=4 122 B11R1.40 CC[PH](=O)OC1=CC=CC=C1 6677-1-02 [1,0,0,0,1,0|1,0,0]=3 123 B11R1.40 COC(=O)CC1=CC=CC=C1 2623-1-5C [1,0,0,0,1,0|1,0,0]=3 124 B11R1.40 COC(=O)CC1=CC=CN=C1 4H23-5-4V [1,0,0,0,1,0|2,0,0]=4 125 B11R1.40 COC(=O)CC1=CC=NC=C1 4H23-5-5F [1,0,0,0,1,0|2,0,0]=4 126 B11R1.40 NNC(=O)OC1=CC=CC=C1 4656-1-2K [1,0,0,0,1,0|2,0,0]=4 127 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4648-9-55 [1,0,0,0,1,0|2,0,0]=4 128 B11R1.40 O=C(CCl)OC1=CC=CC=C1 2623-5-19 [1,0,0,0,1,0|1,0,0]=3 129 B11R1.40 O=C(CF)NC1=CC=CC=C1 4648-3-17 [1,0,0,0,1,0|2,0,0]=4 130 B11R1.40 O=C(NO)OC1=CC=CC=C1 4656-1-F8 [1,0,0,0,1,0|2,0,0]=4 131 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 2618-1-0B [0,0,0,0,2,0|1,0,1]=4 132 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 4H17-1-7W [0,0,0,0,2,0|1,0,0]=3 133 B11R1.36 CC(C)C(N)C1=CC=CC=C1 3633-5-08 [0,0,0,0,2,0|1,0,1]=4 134 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 2617-5-1E [0,0,0,0,2,0|1,0,0]=3 135 B11R1.36 CC(F)C(=O)C1=CC=CC=C1 2617-3-0K [0,0,0,0,2,0|1,0,0]=3 136 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 4648-1-2V [0,0,0,0,2,0|1,0,0]=3 137 B11R1.36 CN(C)C(=O)C1=CC=CN=C1 4H48-1-07G [0,0,0,0,2,0|2,0,0]=4 138 B11R1.36 CN(N)C(=O)C1=CC=CC=C1 4648-1-92 [0,0,0,0,2,0|2,0,0]=4 139 B11R1.36 O=C(C1=CC=CC=C1)C(O)O 2620-1-0W [0,0,0,0,2,0|2,0,0]=4 140 B13R1.337 CC(C)CCOCC1=CC=CC=C1 2607-1-1U [1,0,0,0,0,1|0,0,1]=3