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B12R1.252 O=C(O)CCNC1=CC=CC=C1 4631-1-0D [0,0,0,0,0,0|1,0,0]=1 16 B12R1.252 O=C(O)CCSC1=CC=CC=C1 6666-1-04 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.252 O=C(O)CNCC1=CC=CC=C1 4757-1-17 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.252 OB(O)CCCC1=CC=CC=C1 6660-1-1L [0,0,0,0,0,0|1,0,1]=2 19 B11R1.28 BrCCOCC1=CC=CC=C1 2607-9-0K [1,0,0,0,0,0|2,0,1]=4 20 B11R1.28 BrCCSCC1=CC=CC=C1 5666-9-00 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.28 C=CCNCC1=CC=CC=C1 3631-1-0A [1,0,0,0,0,0|2,0,0]=3 22 B11R1.28 C=CCOCC1=CC=CC=C1 2907-1-17 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.28 CCCCCC1=CC=CC=C1 1700-1-25 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.28 CCCCCC1=CC=CC=N1 3H32-1-8W [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 CCCCCC1=CC=NC=C1 3H32-1-MQ [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 CCCNCC1=CC=CC=C1 3631-1-0J [1,0,0,0,0,0|2,0,1]=4 27 B11R1.28 CNCCCC1=CC=CC=C1 3731-1-X1 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.28 CNCCOC1=CC=CC=C1 4656-5-00 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.28 ClCCCOC1=CC=CC=C1 2607-5-0T [1,0,0,0,0,0|2,0,1]=4 30 B11R1.28 ClCCOCC1=CC=CC=C1 2607-5-1C [1,0,0,0,0,0|2,0,1]=4 31 B11R1.28 ClCCSCC1=CC=CC=C1 5666-5-0B [1,0,0,0,0,0|2,0,1]=4 32 B11R1.28 FCCCOC1=CC=CC=C1 2607-3-1A [1,0,0,0,0,0|2,0,1]=4 33 B11R1.28 N#CCCOC1=CC=CC=C1 4637-1-3E [1,0,0,0,0,0|2,0,1]=4 34 B11R1.28 N#CCNCC1=CC=CC=C1 3637-1-0K [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 NCCCCC1=CC=CC=C1 3730-1-48 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.28 NCCCOC1=CC=CC=C1 4656-5-2X [1,0,0,0,0,0|2,0,1]=4 37 B11R1.28 NCCNCC1=CC=CC=C1 3731-1-00 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.28 NCCOCC1=CC=CC=C1 4756-1-0P [1,0,0,0,0,0|2,0,1]=4 39 B11R1.28 NOCCOC1=CC=CC=C1 4647-5-08 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.28 NOCOCC1=CC=CC=C1 4656-1-4L [1,0,0,0,0,0|3,0,0]=4 41 B11R1.28 O=CCOCC1=CC=CC=C1 2615-1-08 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.28 O=C\C=N\NC1=CC=CC=C1 4639-1-04 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.28 OCCCCC1=CC=CN=C1 4H01-1-B4 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.28 OCCCCC1=CC=NC=C1 4H01-1-9W [1,0,0,0,0,0|1,0,1]=3 45 B11R1.28 OCCCNC1=CC=CC=C1 4656-1-A2 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.28 OCCCOC1=CC=CC=C1 4607-1-01 [1,0,0,0,0,0|1,0,1]=3 47 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 2623-1-4Q [0,1,0,0,0,0|2,0,1]=4 48 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 4648-1-4U [0,1,0,0,0,0|2,0,1]=4 49 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 2629-1-0K [0,1,0,0,0,0|2,0,1]=4 50 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 4656-1-0Q [0,1,0,0,0,0|3,0,0]=4 51 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 4757-1-15 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 4H58-1-3N [0,1,0,0,0,0|2,0,1]=4 53 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 6667-1-02 [0,1,0,0,0,0|1,0,1]=3 54 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 2929-1-17 [0,1,0,0,0,0|0,0,3]=4 55 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 2721-1-3X [0,1,0,0,0,0|1,0,0]=2 56 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 4657-3-63 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.158 CC1=CC=CC=C1OCCC(=O)O 2721-1-1X [0,1,0,0,0,0|1,0,0]=2 58 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl 4657-5-X9 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl 2621-5-43 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 2921-3-0B [0,1,0,0,0,0|0,0,2]=3 61 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 4H48-1-035 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 2623-1-4U [0,1,0,0,0,0|2,0,0]=3 63 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 2602-1-06 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O 4648-1-5Y [0,1,0,0,0,0|1,0,2]=4 65 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 4632-1-0B [0,1,0,0,0,0|0,0,0]=1 66 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O 8666-1-S3 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 2929-1-28 [0,1,0,0,0,0|0,0,3]=4 68 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 2629-1-S8 [0,1,0,0,0,0|0,0,0]=1 69 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 4648-1-1R [0,1,0,0,0,0|2,0,0]=3 70 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 2721-1-2V [0,1,0,0,0,0|0,0,0]=1 71 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 4757-1-Y4 [0,1,0,0,0,0|0,0,0]=1 72 B13R1.513 O=C(Cl)CCCC1=CC=C(F)C=C1 2716-7-17 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 2721-3-10 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 2621-1-2Q [0,1,0,0,0,0|0,0,0]=1 75 B13R1.513 O=C(O)CCNC1=CC=C(Cl)N=N1 4H57-5-07 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.513 O=C(O)CCNC1=CC=C(F)C=C1 4657-3-64 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 2621-9-0A [0,1,0,0,0,0|1,0,0]=2 78 B13R1.718 CCC(=O)COCC1=CC=CC=C1 2717-1-15 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.718 COC(=O)CCCC1=CC=CC=C1 2623-1-0S [0,1,0,0,0,0|0,0,0]=1 80 B13R1.718 COC(=O)CCNC1=CC=CC=C1 4658-1-77 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.718 COC(=O)COCC1=CC=CC=C1 2623-1-2U [0,1,0,0,0,0|1,0,0]=2 82 B13R1.718 COC(=O)CSCC1=CC=CN=C1 8H66-1-16 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 4656-5-53 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 4756-1-0F [0,1,0,0,0,0|2,0,1]=4 85 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 4656-5-52 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 4748-5-X2 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.718 OC(CCl)CNCC1=CC=CC=C1 4756-5-39 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 2607-1-R0 [0,1,0,0,0,0|1,0,2]=4 89 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 2607-1-S0 [0,1,0,0,0,0|1,0,2]=4 90 B13R1.3523 FC(F)(F)CCCC1=CC=CC=C1 1900-3-X1 [0,1,0,0,0,0|2,0,1]=4 91 B13R2.10 O=C1CCC(C2=CC=CC=C2)O1 2H25-1-2C [0,0,0,1,0,0|0,0,0]=1 92 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 8H67-1-S2 [0,0,0,1,0,0|2,1,0]=4 93 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 7H67-1-S2 [0,0,0,1,0,0|2,1,0]=4 94 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 8H67-1-R3 [0,0,0,1,0,0|2,1,0]=4 95 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 7H67-1-R1 [0,0,0,1,0,0|2,1,0]=4 96 B13R2.72 O=C(O)C1CCC2=CC=CN=C21 4H21-1-0Q [0,0,0,1,0,0|1,0,0]=2 97 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 4H21-1-KV [0,0,0,1,0,0|1,0,0]=2 98 B13R2.72 O=C(O)C1NCC2=CC=CC=C21 4H21-1-40 [0,0,0,1,0,0|1,0,0]=2 99 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 4H48-1-60 [0,0,0,1,0,0|1,0,0]=2 100 B13R2.187 ClC1(Cl)CC1CC2=CC=CC=C2 1700-5-23 [0,0,0,1,0,0|2,0,1]=4 101 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 2621-1-X5 [0,0,0,1,0,0|0,0,0]=1 102 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 2621-1-X4 [0,0,0,1,0,0|0,0,0]=1 103 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CN=C2 4H21-1-56 [0,0,0,1,0,0|1,0,0]=2 104 B11R1.91 C=C(C)OCC1=CC=CC=C1 2607-1-1T [0,0,0,0,1,0|3,0,0]=4 105 B11R1.91 CC(=O)C#CC1=CC=CC=C1 2617-1-1J [0,0,0,0,1,0|1,0,2]=4 106 B11R1.91 CC(=O)CSC1=CC=CC=C1 6666-1-X8 [0,0,0,0,1,0|2,0,0]=3 107 B11R1.91 CC(=O)NCC1=CC=CC=C1 4648-1-4F [0,0,0,0,1,0|2,0,0]=3 108 B11R1.91 CC(=O)NCC1=CC=CN=C1 4H48-1-0X [0,0,0,0,1,0|3,0,0]=4 109 B11R1.91 CC(=O)NNC1=CC=CC=C1 4639-1-03 [0,0,0,0,1,0|3,0,0]=4 110 B11R1.91 CC(=O)OCC1=CC=CC=C1 2623-1-4E [0,0,0,0,1,0|2,0,0]=3 111 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2617-1-0Z [0,0,0,0,1,0|1,0,2]=4 112 B11R1.91 CC(C)CCC1=CC=CC=C1 1700-1-38 [0,0,0,0,1,0|2,0,1]=4 113 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 2602-1-R1 [0,0,0,0,1,0|1,0,1]=3 114 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 2602-1-S1 [0,0,0,0,1,0|1,0,1]=3 115 B11R1.91 N=C(N)CCC1=CC=CC=C1 3641-5-04 [0,0,0,0,1,0|2,0,0]=3 116 B11R1.91 N=C(N)NCC1=CC=CC=C1 4641-1-00 [0,0,0,0,1,0|3,0,0]=4 117 B11R1.91 NC(=O)C#CC1=CC=CC=C1 4948-1-03 [0,0,0,0,1,0|1,0,2]=4 118 B11R1.91 NC(=O)CCC1=CC=CC=C1 4648-1-2Y [0,0,0,0,1,0|1,0,0]=2 119 B11R1.91 NC(=O)CSC1=CC=CC=C1 8666-1-0K [0,0,0,0,1,0|2,0,0]=3 120 B11R1.91 NC(=O)NCC1=CC=CC=C1 4653-1-07 [0,0,0,0,1,0|2,0,0]=3 121 B11R1.91 NC(=O)NCC1=CC=CN=C1 4H53-1-21 [0,0,0,0,1,0|3,0,0]=4 122 B11R1.91 NC(=S)COC1=CC=CC=C1 8667-1-01 [0,0,0,0,1,0|2,1,0]=4 123 B11R1.91 NC(=S)CSC1=CC=CC=C1 7667-1-17 [0,0,0,0,1,0|2,1,0]=4 124 B11R1.91 NC(N)=NCC1=CC=CC=C1 4741-1-05 [0,0,0,0,1,0|3,0,0]=4 125 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 2616-5-0J [0,0,0,0,1,0|1,0,2]=4 126 B11R1.91 O=C(O)C#CC1=CC=CC=C1 2621-1-1S [0,0,0,0,1,0|0,0,2]=3 127 B11R1.91 O=C(O)CCC1=CC=CC=N1 4H21-1-KE [0,0,0,0,1,0|1,0,0]=2 128 B11R1.91 O=C(O)CNC1=CC=CC=C1 4657-1-0D [0,0,0,0,1,0|1,0,0]=2 129 B11R1.91 O=C(O)COC1=CC=CN=C1 4H22-3-00 [0,0,0,0,1,0|2,0,0]=3 130 B11R1.91 O=C(O)COC1=CC=CN=C1 4H58-1-117 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.91 O=C(O)CSC1=CC=CC=C1 6666-1-1S [0,0,0,0,1,0|1,0,0]=2 132 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 2921-1-X0 [0,0,0,0,1,0|0,0,2]=3 133 B11R1.172 O=C(O)CCCC1=CC=CS1 6H21-1-0F [0,0,0,0,1,0|1,0,0]=2 134 B11R1.172 O=C(O)CCCN1C=NC=N1 4H21-1-5W [0,0,0,0,1,0|3,0,0]=4 135 B13R1.337 CC(C)CCOCC1=CC=CC=C1 2607-1-1U [0,0,0,0,0,1|2,0,1]=4 136 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 2721-1-70 [0,0,0,0,0,1|0,0,0]=1 137 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 2721-1-04 [0,0,0,0,0,1|0,0,0]=1 138 B13R1.337 O=C(O)CS\C=C\C1=CC=CC=C1 6966-1-04 [0,0,0,0,0,1|0,0,2]=3 139 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 2921-1-02 [0,0,0,0,0,1|0,0,3]=4 140 B13R1.337 O=C(O)\C=N\OCC1=CC=CC=C1 4747-1-01 [0,0,0,0,0,1|1,0,1]=3 141 B10R1.17 BrCCSC1=CC=CC=C1 6666-9-05 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.17 C#CCCC1=CC=CC=C1 1900-1-0F [2,0,0,0,0,0|0,0,2]=4 143 B10R1.17 C=CCCC1=CC=CC=C1 1900-1-43 [2,0,0,0,0,0|0,0,1]=3 144 B10R1.17 C=CCNC1=CC=CC=C1 3631-1-0V [2,0,0,0,0,0|1,0,1]=4 145 B10R1.17 C=CCOC1=CC=CC=C1 2607-1-0K [2,0,0,0,0,0|1,0,1]=4 146 B10R1.17 C=COCC1=CC=CC=C1 2907-1-01 [2,0,0,0,0,0|1,0,1]=4 147 B10R1.17 CCCCC1=CC=CN=C1 3H32-1-JE [2,0,0,0,0,0|1,0,1]=4 148 B10R1.17 CCCC[N+]1=CC=CC=C1 3H33-5-1Z [2,0,0,0,0,0|1,0,1]=4 149 B10R1.17 CCCC[N+]1=CC=CC=C1 7H60-3-29 [2,0,0,0,0,0|1,0,1]=4 150 B10R1.17 CCCC[N+]1=CC=CC=C1 7H73-3-01 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.17 CCCNC1=CC=CC=C1 3631-1-0M [2,0,0,0,0,0|1,0,1]=4 152 B10R1.17 CCCOC1=CC=CC=C1 2607-1-1S [2,0,0,0,0,0|1,0,1]=4 153 B10R1.17 COCCC1=CC=CC=C1 2607-1-0N [2,0,0,0,0,0|1,0,1]=4 154 B10R1.17 ClCCOC1=CC=CC=C1 2607-5-00 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.17 ClCOCC1=CC=CC=C1 2607-5-2Q [2,0,0,0,0,0|2,0,0]=4 156 B10R1.17 FCCNC1=CC=CC=C1 3631-3-0A [2,0,0,0,0,0|2,0,0]=4 157 B10R1.17 N#CCCC1=CC=CC=C1 3637-1-0U [2,0,0,0,0,0|1,0,1]=4 158 B10R1.17 NCCCC1=CC=CN=C1 3H30-1-FT [2,0,0,0,0,0|2,0,0]=4 159 B10R1.17 NCCSC1=CC=CC=C1 7H66-1-0L [2,0,0,0,0,0|2,0,0]=4 160 B10R1.17 O=C=NCC1=CC=CC=C1 4649-1-X4 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.17 O=CCCC1=CC=CC=C1 2615-1-0W [2,0,0,0,0,0|0,0,0]=2 162 B10R1.17 O=CCCC1=CC=CN=C1 4H15-1-1S [2,0,0,0,0,0|1,0,0]=3 163 B10R1.17 O=COCC1=CC=CC=C1 2615-1-0P [2,0,0,0,0,0|1,0,0]=3 164 B10R1.17 O=C\C=C\C1=CC=CC=C1 2915-1-02 [2,0,0,0,0,0|0,0,2]=4 165 B10R1.17 O=C\C=C\C1=CC=CC=C1 2915-1-0A [2,0,0,0,0,0|0,0,2]=4 166 B10R1.17 OCCCC1=CC=CC=C1 2601-1-0D [2,0,0,0,0,0|0,0,0]=2 167 B10R1.17 OCCCC1=CC=CC=N1 4H01-5-2G [2,0,0,0,0,0|1,0,0]=3 168 B10R1.17 OCCCC1=CC=NC=C1 4H01-1-74 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.17 OCCNC1=CC=CC=C1 4631-1-05 [2,0,0,0,0,0|1,0,0]=3 170 B10R1.17 OCCSC1=CC=CC=C1 6666-1-03 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.17 OCCSC1=CC=CC=N1 8H66-1-80 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.17 SCCCC1=CC=NC=C1 7H61-1-03 [2,0,0,0,0,0|1,1,0]=4 173 B10R1.17 SCCCC1=CN=CC=C1 7H61-1-02 [2,0,0,0,0,0|1,1,0]=4 174 B10R1.17 SCCCC1=NC=CC=C1 7H61-1-01 [2,0,0,0,0,0|1,1,0]=4 175 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 3637-1-0A [2,0,0,0,0,0|1,0,1]=4 176 B10R1.17 [O-]CCNC1=CC=CC=C1 4656-1-7K [2,0,0,0,0,0|1,0,1]=4 177 B12R1.1 CCCCCC1=CC=C(N)C=C1 3730-1-58 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.1 CCCCCC1=CC=C(O)C=C1 2701-1-06 [1,1,0,0,0,0|1,0,1]=4 179 B12R1.1 OCCNCC1=CC=C(F)C=C1 4656-3-7E [1,1,0,0,0,0|1,0,1]=4 180 B12R1.1 OCCOCC1=CC=C(Cl)C=C1 2607-5-0W [1,1,0,0,0,0|1,0,1]=4 181 B12R1.8 CCCCCNC1=CC=CC=C1 3631-1-0R [1,1,0,0,0,0|1,0,1]=4 182 B12R1.8 CCCCNCC1=CC=CC=C1 3731-1-X5 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.8 CNCCNCC1=CC=CC=C1 3631-1-0Y [1,1,0,0,0,0|2,0,0]=4 184 B12R1.8 COCCNCC1=CC=CC=C1 4656-1-9W [1,1,0,0,0,0|1,0,1]=4 185 B12R1.8 ClCCCSCC1=CC=CC=C1 5666-5-0C [1,1,0,0,0,0|1,0,1]=4 186 B12R1.8 FCCCSCC1=CC=CC=C1 5666-3-1A [1,1,0,0,0,0|1,0,1]=4 187 B12R1.8 N#CCCOCC1=CC=CC=C1 4637-1-21 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.8 NCCCCOC1=CC=CC=C1 4656-1-9Z [1,1,0,0,0,0|1,0,1]=4 189 B12R1.8 NCCCNCC1=CC=CC=C1 3731-1-02 [1,1,0,0,0,0|1,0,1]=4 190 B12R1.8 NCCCOCC1=CC=CC=C1 4H56-1-06S [1,1,0,0,0,0|1,0,1]=4 191 B12R1.8 OCCCC#CC1=CC=CC=C1 2601-1-0Q [1,1,0,0,0,0|0,0,2]=4 192 B12R1.8 OCCCNCC1=CC=CC=C1 4631-1-0F [1,1,0,0,0,0|0,0,1]=3 193 B12R1.8 OCCCOCC1=CC=CC=C1 2707-1-01 [1,1,0,0,0,0|0,0,1]=3 194 B12R1.27 C#CC(O)CCC1=CC=CC=C1 2902-1-00 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.30 CNCCC(O)C1=CC=CC=C1 4656-1-81 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 4656-1-S00 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.267 C=CCOCC1=C(F)C=CC=C1 2607-3-7Z [1,1,0,0,0,0|2,0,0]=4 198 B12R1.21 C=C(Br)CCC1=CC=C(Br)C=C1 1900-9-13 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.21 C=C(Br)CCC1=CC=C(C)C=C1 1900-9-07 [0,1,0,0,1,0|2,0,0]=4 200 B12R1.21 C=C(Br)CCC1=CC=C(Cl)C=C1 1900-D-01 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.21 C=C(C)CCC1=CC=C(Br)C=C1 1900-9-02 [0,1,0,0,1,0|2,0,0]=4 202 B12R1.21 C=C(C)CCC1=CC=C(C)C=C1 1900-1-11 [0,1,0,0,1,0|2,0,0]=4 203 B12R1.21 C=C(C)CCC1=CC=C(Cl)C=C1 1900-5-09 [0,1,0,0,1,0|2,0,0]=4 204 B12R1.21 C=C(Cl)CCC1=CC=C(Br)C=C1 1900-D-07 [0,1,0,0,1,0|2,0,0]=4 205 B12R1.21 C=C(Cl)CCC1=CC=C(C)C=C1 1900-5-19 [0,1,0,0,1,0|2,0,0]=4 206 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 1900-5-25 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 2717-3-29 [0,1,0,0,1,0|1,0,0]=3 208 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 2617-3-3B [0,1,0,0,1,0|2,0,0]=4 209 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 4748-3-19 [0,1,0,0,1,0|2,0,0]=4 210 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 2723-1-17 [0,1,0,0,1,0|2,0,0]=4 211 B12R1.21 CC1=CC=C(CNC(N)=O)C=C1 4H53-1-0X [0,1,0,0,1,0|2,0,0]=4 212 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 2721-1-3P [0,1,0,0,1,0|1,0,0]=3 213 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 4648-3-89 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.21 NC(=O)NCC1=CC=C(Cl)C=C1 4653-5-0C [0,1,0,0,1,0|2,0,0]=4 215 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 4H56-1-JE [0,1,0,0,1,0|1,0,0]=3 216 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 8666-1-05 [0,1,0,0,1,0|1,0,0]=3 217 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 4957-1-03 [0,1,0,0,1,0|0,0,2]=4 218 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 2616-5-27 [0,1,0,0,1,0|2,0,0]=4 219 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 2621-5-0X [0,1,0,0,1,0|0,0,2]=4 220 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 4657-5-0P [0,1,0,0,1,0|1,0,0]=3 221 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 2621-9-29 [0,1,0,0,1,0|1,0,0]=3 222 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 2621-H-11 [0,1,0,0,1,0|1,0,0]=3 223 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 2629-1-X4 [0,1,0,0,1,0|1,0,0]=3 224 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 6666-3-X2 [0,1,0,0,1,0|1,0,0]=3 225 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 2921-9-X2 [0,1,0,0,1,0|0,0,2]=4 226 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 2921-H-00 [0,1,0,0,1,0|0,0,2]=4 227 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 2617-1-0H [0,1,0,0,1,0|2,0,0]=4 228 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 2621-1-W4 [0,1,0,0,1,0|1,0,0]=3 229 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O 2621-1-S0 [0,1,0,0,1,0|1,0,0]=3 230 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 2621-1-2H [0,1,0,0,1,0|0,0,2]=4 231 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 4648-5-R0 [0,1,0,0,1,0|1,0,0]=3 232 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 4657-1-1E [0,1,0,0,1,0|0,0,0]=2 233 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O 4H57-5-X1 [0,1,0,0,1,0|1,0,0]=3 234 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O 4H57-1-08 [0,1,0,0,1,0|1,0,0]=3 235 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 4757-1-S0 [0,1,0,0,1,0|0,0,0]=2 236 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4H57-1-X0 [0,1,0,0,1,0|1,0,0]=3 237 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 4H57-1-W8 [0,1,0,0,1,0|1,0,0]=3 238 B12R1.43 O=C(O)C(=O)CC1=CC=NC=C1 4H29-1-5F [0,1,0,0,1,0|1,0,1]=4 239 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4657-1-33 [0,1,0,0,1,0|1,0,1]=4 240 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 2629-1-2L [0,1,0,0,1,0|0,0,0]=2 241 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 2621-9-S1 [0,1,0,0,1,0|0,0,0]=2 242 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 2629-1-S2 [0,1,0,0,1,0|0,0,0]=2 243 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 2629-1-R2 [0,1,0,0,1,0|0,0,0]=2 244 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 2921-3-X2 [0,1,0,0,1,0|0,0,2]=4 245 B12R1.43 [C@H](N)(CC1=CC=CC=N1)C(=O)O 4H57-1-Y5 [0,1,0,0,1,0|1,0,0]=3 246 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 4648-1-4Y [0,1,0,0,1,0|2,0,0]=4 247 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 2623-1-2B [0,1,0,0,1,0|2,0,0]=4 248 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 2921-1-25 [0,1,0,0,1,0|0,0,2]=4 249 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 4H57-1-92 [0,1,0,0,1,0|1,0,0]=3 250 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 4657-1-S5 [0,1,0,0,1,0|0,0,0]=2 251 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 4630-1-R0 [0,1,0,0,1,0|0,0,0]=2 252 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 2629-1-3V [0,1,0,0,1,0|0,0,0]=2 253 B12R1.107 O=C(O)\C=C(/Br)C1=CC=CC=C1 2921-9-X1 [0,1,0,0,1,0|0,0,2]=4 254 B12R1.125 C=C(Br)CCC1=CC=CC=C1C 1900-9-11 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.125 C=C(Br)CCC1=CC=CC=C1Cl 1900-D-05 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.125 C=C(C)CCC1=CC=CC=C1Br 1900-9-17 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.125 C=C(C)CCC1=CC=CC=C1C 1900-1-19 [0,1,0,0,1,0|2,0,0]=4 258 B12R1.125 C=C(C)CCC1=CC=CC=C1Cl 1900-5-13 [0,1,0,0,1,0|2,0,0]=4 259 B12R1.125 C=C(Cl)CCC1=C(Cl)C=CC=C1 1900-5-29 [0,1,0,0,1,0|2,0,0]=4 260 B12R1.125 C=C(Cl)CCC1=CC=CC=C1C 1900-5-23 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.125 CC1=CC=CC=C1OCC(=O)O 2721-1-3N [0,1,0,0,1,0|1,0,0]=3 262 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 2921-1-32 [0,1,0,0,1,0|0,0,2]=4 263 B12R1.125 NC(=O)NCC1=C(Cl)C=CC=C1 4653-5-0E [0,1,0,0,1,0|2,0,0]=4 264 B12R1.125 O=C(Cl)CCC1=CC=CC=C1F 2716-7-X6 [0,1,0,0,1,0|1,0,0]=3 265 B12R1.125 O=C(O)CCC1=CC=CC=C1I 2721-H-06 [0,1,0,0,1,0|0,0,0]=2 266 B12R1.125 O=C(O)CCC1=CC=CN=C1F 4H21-3-7L [0,1,0,0,1,0|1,0,0]=3 267 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 4657-3-0E [0,1,0,0,1,0|1,0,0]=3 268 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl 4658-5-0T [0,1,0,0,1,0|1,0,0]=3 269 B12R1.125 O=C(O)COC1=CC=CC=C1F 2621-3-0C [0,1,0,0,1,0|1,0,0]=3 270 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 G311-A-48 [0,1,0,0,1,0|0,0,2]=4 271 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br 2921-9-02 [0,1,0,0,1,0|0,0,2]=4 272 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl 2921-5-02 [0,1,0,0,1,0|0,0,2]=4 273 B12R1.226 C=C(Br)CCC1=CC=CC(Br)=C1 1900-9-15 [0,1,0,0,1,0|2,0,0]=4 274 B12R1.226 C=C(Br)CCC1=CC=CC(C)=C1 1900-9-09 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.226 C=C(Br)CCC1=CC=CC(Cl)=C1 1900-D-03 [0,1,0,0,1,0|2,0,0]=4 276 B12R1.226 C=C(C)CCC1=CC=CC(Br)=C1 1900-9-05 [0,1,0,0,1,0|2,0,0]=4 277 B12R1.226 C=C(C)CCC1=CC=CC(C)=C1 1900-1-15 [0,1,0,0,1,0|2,0,0]=4 278 B12R1.226 C=C(C)CCC1=CC=CC(Cl)=C1 1900-5-11 [0,1,0,0,1,0|2,0,0]=4 279 B12R1.226 C=C(Cl)CCC1=CC=CC(Br)=C1 1900-D-09 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.226 C=C(Cl)CCC1=CC=CC(C)=C1 1900-5-21 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.226 C=C(Cl)CCC1=CC=CC(Cl)=C1 1900-5-27 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 2617-9-0B [0,1,0,0,1,0|1,0,0]=3 283 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 2721-1-3M [0,1,0,0,1,0|1,0,0]=3 284 B12R1.226 NC(=O)COC1=CC=CC(Cl)=C1 4648-5-66 [0,1,0,0,1,0|2,0,0]=4 285 B12R1.226 O=C(O)CNC1=CC(F)=CC=C1 4657-3-13 [0,1,0,0,1,0|1,0,0]=3 286 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 2621-5-33 [0,1,0,0,1,0|1,0,0]=3 287 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 2621-H-0A [0,1,0,0,1,0|0,0,2]=4 288 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 2929-1-09 [0,1,0,0,1,0|0,0,2]=4 289 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 2602-1-04 [0,1,0,0,1,0|1,0,1]=4 290 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 6777-1-03 [0,1,0,0,1,0|1,0,0]=3 291 B12R1.891 O=S(=O)(O)CCC1=NC=CC=C1 8H64-1-0H [0,1,0,0,1,0|2,0,0]=4 292 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 6H29-1-00 [0,1,0,0,1,0|1,0,1]=4 293 B12R1.105 NC1=NC(CCCC(=O)O)=CN1 4H58-5-6F [0,1,0,0,1,0|2,0,0]=4 294 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 2621-1-1Q [0,1,0,0,0,1|0,0,0]=2 295 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 4648-1-1S [0,1,0,0,0,1|0,0,1]=3 296 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 4658-1-3H [0,1,0,0,0,1|0,0,0]=2 297 B14R1.423 N\C(=N/C1=CC=CC=C1)NCC(=O)O 4657-1-28 [0,1,0,0,0,1|1,0,1]=4 298 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 4648-1-5M [0,1,0,0,0,1|0,0,1]=3 299 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 4H48-1-E8 [0,1,0,0,0,1|1,0,1]=4 300 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 4648-1-2S [0,1,0,0,0,1|0,0,1]=3 301 B14R1.677 CC(=O)OCCOC1=CC=C(Br)C=C1 2623-9-30 [0,1,0,0,0,1|2,0,0]=4 302 B14R1.677 CC(=O)OCCOC1=CC=C(C)C=C1 2723-1-1Z [0,1,0,0,0,1|2,0,0]=4 303 B14R1.677 O=C(Cl)CCCCC1=CC=C(F)C=C1 2716-7-18 [0,1,0,0,0,1|1,0,0]=3 304 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 2623-1-0P [0,1,0,0,0,1|0,0,0]=2 305 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 4H48-1-UZ [0,1,0,0,0,1|1,0,1]=4 306 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O 4657-1-60 [0,1,0,0,0,1|0,0,0]=2 307 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 2623-1-3B [0,1,0,0,0,1|0,0,1]=3 308 B14R1.6449 N[C@@H](CNCC1=CC=CC=C1)C(=O)O 4657-1-SG [0,1,0,0,0,1|0,0,0]=2 309 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 4657-1-SM [0,1,0,0,0,1|0,0,0]=2 310 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O 4657-1-SL [0,1,0,0,0,1|0,0,1]=3 311 B14R1.6449 N[C@H](CNCC1=CC=CC=C1)C(=O)O 4657-1-RG [0,1,0,0,0,1|0,0,0]=2 312 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O 4157-1-RM [0,1,0,0,0,1|0,0,0]=2 313 B14R1.6449 N[C@H](C\C=C\C1=CC=CC=C1)C(=O)O 4657-1-RL [0,1,0,0,0,1|0,0,1]=3 314 B14R1.149 CC1=CC=CC(C(=O)NCC(=O)O)=C1 4758-1-0U [0,2,0,0,0,0|1,0,1]=4 315 B14R1.149 O=C(O)CNC(=O)C1=CC(F)=CC=C1 4657-3-0F [0,2,0,0,0,0|1,0,1]=4 316 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O 4758-1-1X [0,2,0,0,0,0|1,0,1]=4 317 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1F 2629-3-48 [0,2,0,0,0,0|0,0,1]=3 318 B14R1.160 O=C(O)CNC(=O)C1=C(F)C=CC=C1 4657-3-0G [0,2,0,0,0,0|1,0,1]=4 319 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 2623-1-3J [0,2,0,0,0,0|0,0,1]=3 320 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O 4658-1-6T [0,2,0,0,0,0|1,0,1]=4 321 B14R1.415 CC(SC(=S)C1=CC=CC=C1)C(=O)O 6667-1-01 [0,2,0,0,0,0|1,0,1]=4 322 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]=4 323 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 2629-1-3U [0,2,0,0,0,0|0,0,2]=4 324 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 2629-9-0F [0,2,0,0,0,0|0,0,1]=3 325 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 2629-1-75 [0,2,0,0,0,0|0,0,1]=3 326 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 4758-1-1W [0,2,0,0,0,0|1,0,1]=4 327 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 2629-9-0B [0,2,0,0,0,0|0,0,1]=3 328 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 2629-5-13 [0,2,0,0,0,0|0,0,1]=3 329 B14R1.76 COC1=CC=CC(OCCC(=O)O)=C1 2621-1-1C [0,2,0,0,0,0|1,0,0]=3 330 B14R1.76 N#CC1=CC(OCCC(=O)O)=CC=C1 4637-1-72 [0,2,0,0,0,0|1,0,0]=3 331 B14R1.687 CC1=CC(CCCC(=O)O)=CC=C1F 2721-3-0L [0,2,0,0,0,0|0,0,0]=2 332 B14R1.96 CC(=O)OCCC1=CC=CC=C1CCl 2723-5-13 [0,2,0,0,0,0|2,0,0]=4 333 B14R1.96 COC1=CC=CC=C1CCNC(N)=O 4753-1-00 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.96 COC1=CC=CC=C1OCCC(=O)O 2621-1-3B [0,2,0,0,0,0|1,0,0]=3 335 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O 4637-1-73 [0,2,0,0,0,0|1,0,0]=3 336 B14R1.4464 O=C(O)C\C=C\C1=CC=C(F)C=C1F 2621-3-6G [0,2,0,0,0,0|0,0,2]=4 337 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]=3 338 B14R1.698 CC(CC(=O)O)SC1=CC=C(F)C=C1 6666-3-15 [0,2,0,0,0,0|1,0,0]=3 339 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 4656-5-S7 [0,2,0,0,0,0|0,0,0]=2 340 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(F)C=C1 4630-7-S0 [0,2,0,0,0,0|0,0,0]=2 341 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 2629-1-2V [0,2,0,0,0,0|0,0,1]=3 342 B14R1.1485 CC(=O)OC(C)(C)CC1=CC=CC=C1 2623-1-Z8 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.679 NC(CCC1=CC=C(Br)C=C1)C(=O)O 4H58-9-5U [0,2,0,0,0,0|0,0,0]=2 344 B14R1.679 NC(CCC1=CC=C(Cl)C=C1)C(=O)O 4658-5-0P [0,2,0,0,0,0|0,0,0]=2 345 B14R1.679 NC(CCC1=CC=C(F)C=C1)C(=O)O 4657-3-0D [0,2,0,0,0,0|0,0,0]=2 346 B14R1.4194 O=C(O)[C@@H](CO)NCC1=CC=CC=C1 4H57-1-0A [0,2,0,0,0,0|1,0,0]=3 347 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 2721-1-62 [0,2,0,0,0,0|0,0,0]=2 348 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 2621-1-0W [0,2,0,0,0,0|1,0,0]=3 349 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 2621-1-1D [0,2,0,0,0,0|1,0,0]=3 350 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 6666-1-42 [0,2,0,0,0,0|1,0,0]=3 351 B14R1.4 N#CC1=CC=C(OCCC(=O)O)C=C1 4637-1-2C [0,2,0,0,0,0|1,0,0]=3 352 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 2621-1-2F [0,2,0,0,0,0|1,0,0]=3 353 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 4630-1-1A [0,2,0,0,0,0|0,0,0]=2 354 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 4631-1-12 [0,2,0,0,0,0|1,0,0]=3 355 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 4658-1-19 [0,2,0,0,0,0|1,0,0]=3 356 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 4758-1-20 [0,2,0,0,0,0|1,0,0]=3 357 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 4656-1-9Q [0,2,0,0,0,0|1,0,0]=3 358 B12R2.1 O=NN1CCC2=CC=CC=C21 4H45-1-0F [1,0,0,1,0,0|2,0,0]=4 359 B12R2.2 C1=CC=C(C2CCNC2)C=C1 3H31-1-N0 [1,0,0,1,0,0|2,0,0]=4 360 B12R2.2 C1=CC=C(C2CCNC2)C=C1 3H31-5-00 [1,0,0,1,0,0|2,0,0]=4 361 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 3631-1-S3 [1,0,0,1,0,0|1,0,1]=4 362 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 3H31-5-04 [1,0,0,1,0,0|2,0,0]=4 363 B12R2.27 O=CC1CC1C2=CC=NC=C2 4H15-1-2W [1,0,0,1,0,0|1,0,0]=3 364 B12R2.41 C1=CC=C2CNCCCC2=C1 3H33-5-0X [1,0,0,1,0,0|2,0,0]=4 365 B12R2.41 C1=CC=C2NCCCCC2=C1 3H31-1-CT [1,0,0,1,0,0|1,0,1]=4 366 B12R2.41 C1=CC=C2OCCCOC2=C1 2H10-1-0U [1,0,0,1,0,0|1,0,1]=4 367 B12R2.1081 CN1CCCC2=CC=CC=C21 3H32-1-JW [1,0,0,1,0,0|2,0,0]=4 368 B12R2.1081 NC1CCCC2=CC=CC=C21 3630-1-0D [1,0,0,1,0,0|1,0,1]=4 369 B12R2.1081 NN1CCCC2=C1C=CC=C2 3H39-1-0D [1,0,0,1,0,0|2,0,0]=4 370 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 3730-1-R1 [1,0,0,1,0,0|1,0,1]=4 371 B12R2.1081 O=C1CCCC2=C1C=CC=N2 4H17-1-Y9 [1,0,0,1,0,0|1,0,0]=3 372 B12R2.1081 O=C1CCNC2=CC=CC=C12 4H17-5-3J [1,0,0,1,0,0|1,0,0]=3 373 B12R2.1081 O=C1CCOC2=CC=CN=C12 4H17-1-7S [1,0,0,1,0,0|2,0,0]=4 374 B12R2.1081 O=C1CNNC2=C1C=CC=C2 4H33-5-0N [1,0,0,1,0,0|2,0,0]=4 375 B12R2.1081 O=C1COCC2=CC=CC=C12 2H10-1-48 [1,0,0,1,0,0|1,0,0]=3 376 B12R2.1081 O=C1NCCC2=CC=CN=C12 4H48-1-05G [1,0,0,1,0,0|2,0,0]=4 377 B12R2.1081 O=C1OCCC2=C1C=NC=C2 4H56-1-HB [1,0,0,1,0,0|2,0,0]=4 378 B12R2.1081 OB1OCCC2=CC=CC=C12 6H60-1-43 [1,0,0,1,0,0|2,0,0]=4 379 B12R2.1081 OC1CCCC2=CC=CN=C21 4H56-5-H8 [1,0,0,1,0,0|1,0,1]=4 380 B12R2.1081 S=C1NCCC2=CC=CC=C12 8H69-1-8G [1,0,0,1,0,0|1,1,0]=4 381 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 2609-1-05 [1,0,0,1,0,0|1,0,1]=4 382 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 3H31-1-5Z [1,0,0,1,0,0|2,0,0]=4 383 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4H48-1-GG [0,0,0,1,1,0|1,0,0]=3 384 B12R2.24 O=C1CC2=CC=CC=C2CN1 4H48-1-5E [0,0,0,1,1,0|2,0,0]=4 385 B12R2.24 O=C1CC2=CC=CC=C2CO1 2625-1-04 [0,0,0,1,1,0|2,0,0]=4 386 B12R2.24 O=C1CCC2=CC=CC=C2O1 2625-1-03 [0,0,0,1,1,0|0,0,0]=2 387 B12R2.24 O=C1CCC2=CC=CN=C2N1 4H17-1-86 [0,0,0,1,1,0|2,0,0]=4 388 B12R2.24 O=C1CNC2=CC=CC=C2N1 4H48-1-04G [0,0,0,1,1,0|2,0,0]=4 389 B12R2.24 O=C1CNC2=CC=CC=C2O1 4H31-1-0W [0,0,0,1,1,0|1,0,0]=3 390 B12R2.24 O=C1COC2=CC=CC=C2N1 4H48-1-PM [0,0,0,1,1,0|2,0,0]=4 391 B12R2.24 O=C1CSC2=CC=CC=C2C1 6H17-1-0C [0,0,0,1,1,0|2,0,0]=4 392 B12R2.24 O=C1CSC2=CC=CC=C2N1 8H70-1-Z5 [0,0,0,1,1,0|2,0,0]=4 393 B12R2.24 O=C1NC2=CC=CC=C2CO1 4H56-1-06H [0,0,0,1,1,0|2,0,0]=4 394 B14R2.2 CC(=O)N[C@H]1CCC2=CC=CC=C21 4648-1-S3 [0,0,0,1,0,1|1,0,0]=3 395 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 2621-1-3H [0,0,0,1,0,1|0,0,0]=2 396 B14R2.2 O=C(O)CC1N=NC2=C1C=CC=C2 4H21-1-MQ [0,0,0,1,0,1|1,0,0]=3 397 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 4H21-1-HX [0,0,0,1,0,1|0,0,2]=4 398 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 4H21-1-5U [0,0,0,1,0,1|1,0,1]=4 399 B14R2.2 O=C(O)CN1CCC2=CC=CC=C21 4H21-5-65 [0,0,0,1,0,1|0,0,0]=2 400 B14R2.2 O=C(O)CN1N=CC2=CC=CC=C21 4H21-1-GR [0,0,0,1,0,1|1,0,1]=4 401 B14R2.2 O=C(O)CN1N=NC2=CC=CC=C21 4H21-1-KY [0,0,0,1,0,1|2,0,0]=4 402 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 8H48-1-S0 [0,0,0,1,0,1|1,0,0]=3 403 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CS1 8H48-1-R0 [0,0,0,1,0,1|1,0,0]=3 404 B14R2.19 O[C@@H]1CCN(CC2=CC=CC=C2)C1 4H02-1-R2 [0,0,0,1,0,1|1,0,1]=4 405 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 4H02-1-S1 [0,0,0,1,0,1|1,0,1]=4 406 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 8H67-1-S3 [0,0,0,1,0,1|1,1,0]=4 407 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 8H67-1-R2 [0,0,0,1,0,1|1,1,0]=4 408 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 7H67-1-R2 [0,0,0,1,0,1|1,1,0]=4 409 B14R2.21 O=C1CC(C2=CC=CC=C2)CCO1 2H25-1-77 [0,0,0,1,0,1|1,0,0]=3 410 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 2617-1-1C [0,0,0,1,0,1|1,0,0]=3 411 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 2617-1-06 [0,0,0,1,0,1|1,0,0]=3 412 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 2607-1-15 [0,0,0,1,0,1|1,0,1]=4 413 B14R2.3018 C1=CC=C(COCCC2CO2)C=C1 2609-1-03 [0,0,0,1,0,1|1,0,1]=4 414 B14R2.31359 CC(=O)N1CCCC2=CC=CC=C21 4H48-1-05B [0,0,0,1,0,1|1,0,0]=3 415 B14R2.31359 O=C(O)C1CCCC2=CC=CC=C21 2621-1-0D [0,0,0,1,0,1|0,0,0]=2 416 B14R2.31359 O=C(O)C1CCNC2=CC=CC=C21 4H58-1-085 [0,0,0,1,0,1|0,0,0]=2 417 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 4H56-1-GJ [0,0,0,1,0,1|0,0,0]=2 418 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 2H21-1-1B [0,0,0,1,0,1|0,0,0]=2 419 B14R2.31359 O=C(O)[C@@H]1CCCC2=CC=CC=C21 2621-1-R7 [0,0,0,1,0,1|0,0,0]=2 420 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 4H21-1-65 [0,0,0,1,0,1|0,0,0]=2 421 B14R2.31359 O=C(O)[C@H]1CCCC2=CC=CC=C21 2721-1-S1 [0,0,0,1,0,1|0,0,0]=2 422 B14R2.68 O=C1CC=C(C2=CC=CC=C2)CC1 2617-1-2E [0,1,0,1,0,0|1,0,1]=4 423 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 4H48-1-JX [0,1,0,1,0,0|1,0,1]=4 424 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 4H17-5-20 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 4H25-1-S1 [0,1,0,1,0,0|1,0,0]=3 426 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 4H48-1-00K [0,1,0,1,0,0|1,0,1]=4 427 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 2621-1-0C [0,1,0,1,0,0|0,0,0]=2 428 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 2729-1-41 [0,1,0,1,0,0|0,0,1]=3 429 B14R2.25733 O=C1NC(C(=O)O)C2=CC=CC=C12 4H48-1-CS [0,1,0,1,0,0|1,0,1]=4 430 B14R2.22 NC1=CC=CC(C2CNC(=O)C2)=C1 4H30-1-5Q [0,1,0,1,0,0|2,0,0]=4 431 B14R2.390 O=C1CCCC2=C(N1)C(F)=CC=C2 4H48-3-9R [0,1,0,1,0,0|1,0,0]=3 432 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 2621-5-49 [0,1,0,1,0,0|0,0,0]=2 433 B14R2.4476 O=C(O)C1CC1C2=CC=CC(F)=C2 2721-3-84 [0,1,0,1,0,0|0,0,0]=2 434 B14R2.8053 CC(=O)N1CCC2=CC=CC(N)=C21 4H56-1-G7 [0,1,0,1,0,0|2,0,0]=4 435 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 4H56-1-8C [0,1,0,1,0,0|0,0,2]=4 436 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 2H21-1-0Z [0,1,0,1,0,0|0,0,2]=4 437 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2O1 4H21-1-H0 [0,1,0,1,0,0|1,0,1]=4 438 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 4H21-1-GD [0,1,0,1,0,0|1,0,1]=4 439 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 4H21-1-KA [0,1,0,1,0,0|2,0,0]=4 440 B14R2.781 O=C(Cl)C1COC2=CC=CC=C2O1 2H16-5-10 [0,1,0,1,0,0|2,0,0]=4 441 B14R2.781 O=C(O)C1=CCC2=C(C=CC=C2)O1 2H21-1-71 [0,1,0,1,0,0|0,0,2]=4 442 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 2H21-1-72 [0,1,0,1,0,0|0,0,0]=2 443 B14R2.781 O=C(O)C1CCC2=CC=CC=C2C1 2621-1-2E [0,1,0,1,0,0|0,0,0]=2 444 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 4H58-1-086 [0,1,0,1,0,0|0,0,0]=2 445 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)O1 4H21-1-MB [0,1,0,1,0,0|1,0,0]=3 446 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 4H58-1-087 [0,1,0,1,0,0|1,0,0]=3 447 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 2H21-1-0T [0,1,0,1,0,0|1,0,0]=3 448 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 4H57-1-S3 [0,1,0,1,0,0|1,0,0]=3 449 B14R2.781 O=C(O)[C@H]1CC2=CC=CC=C2CN1 4H57-1-R2 [0,1,0,1,0,0|1,0,0]=3 450 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 4H21-1-RF [0,1,0,1,0,0|0,0,0]=2 451 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 2H21-1-R3 [0,1,0,1,0,0|1,0,0]=3 452 B14R2.781 [C@@H]1(C(=O)O)COC2=CC=CC=C2O1 2H21-1-S3 [0,1,0,1,0,0|1,0,0]=3 453 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2Cl 2621-5-32 [0,1,0,1,0,0|0,0,0]=2 454 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F 2721-3-83 [0,1,0,1,0,0|0,0,0]=2 455 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2F 4H48-3-P3 [0,1,0,1,0,0|2,0,0]=4 456 B14R2.642 CC(=O)N1C2=CC=CC=C2CC1C 4H48-1-7S [0,1,0,1,0,0|2,0,0]=4 457 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O 4H17-1-62 [0,1,0,1,0,0|2,0,0]=4 458 B14R2.741 CC1CNC2=CC=CC=C2NC1=O 4H48-1-9F [0,1,0,1,0,0|2,0,0]=4 459 B14R2.741 O=C1NC2=CC=CC=C2CCC1Cl 4H48-5-GS [0,1,0,1,0,0|1,0,0]=3 460 B14R2.20 NC1=NCC(C2=CC=C(Br)C=C2)O1 4H30-9-06 [0,1,0,1,0,0|2,0,0]=4 461 B14R2.380 NC1=CC=C2CCCC(=O)NC2=C1 4H48-1-AV [0,1,0,1,0,0|1,0,0]=3 462 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 2621-9-47 [0,1,0,1,0,0|0,0,0]=2 463 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 2621-5-0V [0,1,0,1,0,0|0,0,0]=2 464 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 2721-3-81 [0,1,0,1,0,0|0,0,0]=2 465 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 4H48-5-HQ [0,1,0,1,0,0|2,0,0]=4 466 B14R2.3459 NCC1(O)CCCC2=CC=CC=C21 3630-5-19 [0,1,0,1,0,0|1,0,1]=4 467 B14R2.4514 CN1C(=O)CCC1C2=CC=CC=N2 4H17-1-48 [0,1,0,1,0,0|2,0,0]=4 468 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 4H48-1-S1 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.18 CC(=O)CC1=CC=CC=N1 4H17-1-3W [0,0,0,0,2,0|2,0,0]=4 470 B10R1.18 CC(=O)CC1=CC=CN=C1 4H17-1-3P [0,0,0,0,2,0|2,0,0]=4 471 B10R1.18 CC(=O)NC1=CC=CC=C1 4648-1-5B [0,0,0,0,2,0|2,0,0]=4 472 B10R1.18 CC(=O)SC1=CC=CC=C1 6666-1-0N [0,0,0,0,2,0|2,0,0]=4 473 B10R1.18 CC(O)CC1=CC=CC=C1 2702-1-04 [0,0,0,0,2,0|1,0,1]=4 474 B10R1.18 NC(=O)NC1=CC=CC=C1 4653-1-01 [0,0,0,0,2,0|2,0,0]=4 475 B10R1.18 O=C(O)CC1=CC=NC=C1 4H58-1-108 [0,0,0,0,2,0|1,0,0]=3 476 B10R1.18 O=C(O)CC1=CN=CC=N1 4H21-1-CM [0,0,0,0,2,0|2,0,0]=4 477 B10R1.18 O=C(O)CC1=CN=CN=C1 4H21-1-0B [0,0,0,0,2,0|2,0,0]=4 478 B10R1.18 O=C(O)CC1=NC=CC=N1 4H21-1-FN [0,0,0,0,2,0|2,0,0]=4 479 B10R1.18 O=C([O-])CC1=CC=CC=C1 2722-1-40 [0,0,0,0,2,0|0,0,1]=3 480 B10R1.18 OB(O)CC1=CC=CC=C1 6660-1-X7 [0,0,0,0,2,0|1,0,1]=4 481 B10R1.66 O=C(O)CCC1=CC=CO1 2H21-1-X6 [0,0,0,0,2,0|1,0,0]=3 482 B10R1.66 O=C(O)CCC1=CNC=N1 4H21-1-J6 [0,0,0,0,2,0|2,0,0]=4 483 B10R1.66 O=C(O)CCC1=CSC=C1 6H21-1-0G [0,0,0,0,2,0|1,0,0]=3 484 B10R1.66 O=C(O)CCC1=NC=CS1 8H21-1-0H [0,0,0,0,2,0|2,0,0]=4 485 B10R1.66 O=C(O)CCN1C=CC=C1 4H21-1-HA [0,0,0,0,2,0|1,0,0]=3 486 B10R1.66 O=C(O)CCN1C=CC=N1 4H21-1-GX [0,0,0,0,2,0|2,0,0]=4 487 B10R1.66 O=C(O)CCN1C=CN=C1 4H21-1-J7 [0,0,0,0,2,0|2,0,0]=4 488 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 2721-1-66 [0,0,0,0,0,2|0,0,0]=2 489 B14R1.422 O=C(O)CCS\C=C\C1=CC=CC=C1 6966-1-05 [0,0,0,0,0,2|0,0,1]=3