0 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [0,0,0,0,0,0|2,0,2]=4 1 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [0,0,0,0,0,0|2,0,2]=4 2 B11R1.91 NC(=O)CCC1=CC=NC=C1 4H48-1-VM [0,0,0,0,0,0|2,0,2]=4 3 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.91 O=C(O)C#CC1=CC=CC=N1 4H58-1-470 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.91 O=C(O)C#CC1=CC=CN=C1 4H58-1-471 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.17 OC\C=C\C1=CC=NC=C1 4H56-1-0G2 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [0,1,0,0,0,0|1,0,2]=4 9 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [0,1,0,0,0,0|2,0,1]=4 10 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [0,1,0,0,0,0|2,0,1]=4 11 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [0,1,0,0,0,0|2,0,1]=4 12 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [0,1,0,0,0,0|2,0,1]=4 13 B12R1.21 CC(O)\C=C\C1=CC=C(Br)C=C1 2602-9-03 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [0,1,0,0,0,0|0,0,2]=3 15 B12R1.21 O=C(O)\C=C\C1=CN=C(Cl)C=C1 4H21-5-2Q [0,1,0,0,0,0|1,0,0]=2 16 B12R1.27 COC(=O)C#CC1=CC=CC=N1 4H24-1-02 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.27 COC(=O)C#CC1=CC=CN=C1 4H24-1-01 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.27 COC(=O)C#CC1=CC=NC=C1 4H58-1-469 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 4H23-1-J0 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 4H23-1-28 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.27 COC(=O)\C=C\C1=NC=CC=C1 4H23-1-LJ [0,1,0,0,0,0|1,0,0]=2 23 B12R1.27 NCC(=O)NCC1=CC=CC=C1 4648-1-6R [0,1,0,0,0,0|2,0,1]=4 24 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [0,1,0,0,0,0|1,0,2]=4 25 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [0,1,0,0,0,0|0,0,1]=2 26 B12R1.107 CN(CC(=O)O)C1=CC=CC=N1 4H58-1-396 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 4636-1-Z8 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl 2716-5-0D [0,1,0,0,0,0|1,0,2]=4 30 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl 2916-5-01 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [0,1,0,0,0,0|2,0,1]=4 32 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [0,1,0,0,0,0|1,0,2]=4 34 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 4653-5-0D [0,1,0,0,0,0|2,0,1]=4 35 B12R1.226 O=C(O)CSC1=CC=CC(F)=C1 6666-3-24 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(O)=C1 4654-1-B5 [0,1,0,0,0,0|1,0,1]=3 37 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 3H32-5-F9 [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 FC1=CC2=CC=CC=C2C=N1 3H32-3-CE [0,0,0,1,0,0|3,0,0]=4 39 B12R2.24 O=C1NCC2=CC=CC=C2O1 4H56-1-06F [0,0,0,1,0,0|1,0,1]=3 40 B12R2.24 OC1=CC2=CN=CN=C2C=C1 4H01-1-6Q [0,0,0,1,0,0|3,0,0]=4 41 B12R2.24 OC1=CC2=NC=CC=C2N=C1 4H56-1-0PS [0,0,0,1,0,0|3,0,0]=4 42 B12R2.24 OC1=NC2=CC=CC=C2C=N1 4H01-1-A3 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [0,0,0,0,1,0|1,0,2]=4 44 B12R1.252 O=C(O)COCC1=CC=NC=C1 4H21-5-4S [0,0,0,0,0,1|1,0,2]=4 45 B11R1.1 N#C\C=C\C1=CC=C(O)C=C1 4637-1-3X [1,1,0,0,0,0|1,0,1]=4 46 B11R1.24 O=CCCC1=CC(Br)=CC=C1 2615-9-42 [1,1,0,0,0,0|0,0,2]=4 47 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 4H57-1-02 [0,1,0,0,1,0|1,0,1]=4 48 B11R1.36 FC(F)=C(Br)C1=CC=CC=C1 1900-B-03 [0,1,0,0,1,0|2,0,0]=4 49 B11R1.36 NC(C(=O)O)C1=CC=CC=N1 4H57-5-24 [0,1,0,0,1,0|1,0,1]=4 50 B11R1.36 O=C(Cl)C(O)C1=CC=CC=C1 2616-5-0C [0,1,0,0,1,0|1,0,1]=4 51 B11R1.86 NC(=O)CC1=CC=CC=C1I 4648-H-06 [0,1,0,0,1,0|1,0,1]=4 52 B11R1.157 O=C(O)CC1=CN=CC(F)=C1 4H58-3-1L [0,1,0,0,1,0|1,0,1]=4 53 B11R1.25 COC(=O)\C=C\C1=CC=CN1 4H23-1-8P [0,1,0,0,1,0|1,0,0]=3 54 B13R1.158 O=C(O)CCCC1=CC=CC=C1F 2721-3-1Q [0,1,0,0,0,1|0,0,2]=4 55 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 4621-5-00 [0,1,0,0,0,1|0,0,2]=4 56 B13R1.718 COC(=O)N\N=C\C1=CC=CC=C1 4656-1-EB [0,1,0,0,0,1|1,0,0]=3 57 B13R1.3 CC(=O)\C=C\C1=CC=C(C=O)C=C1 2917-1-0L [0,2,0,0,0,0|1,0,0]=3 58 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 2723-1-1X [0,2,0,0,0,0|0,0,2]=4 59 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 2623-5-0S [0,2,0,0,0,0|0,0,2]=4 60 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 4658-5-0U [0,2,0,0,0,0|1,0,1]=4 61 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 4630-1-2B [0,2,0,0,0,0|1,0,1]=4 62 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 2623-1-1A [0,2,0,0,0,0|1,0,1]=4 63 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)N=C1 4H24-5-00 [0,2,0,0,0,0|1,0,0]=3 64 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 2618-3-00 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.133 CC(=O)C(=O)NC1=CC=C(Cl)C=C1 4648-5-0F [0,2,0,0,0,0|2,0,0]=4 66 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [0,2,0,0,0,0|0,0,2]=4 67 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 2629-5-46 [0,2,0,0,0,0|0,0,2]=4 68 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 2729-3-08 [0,2,0,0,0,0|0,0,2]=4 69 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 2629-3-S0 [0,2,0,0,0,0|0,0,2]=4 70 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R0 [0,2,0,0,0,0|0,0,2]=4 71 B13R1.164 NC1=CC=C(CCC(=O)O)C(F)=C1 4757-3-43 [0,2,0,0,0,0|0,0,2]=4 72 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl 2621-7-76 [0,2,0,0,0,0|0,0,2]=4 73 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1F 2729-3-04 [0,2,0,0,0,0|0,0,2]=4 74 B13R1.164 O=C(O)\C=C\C1=CC=C(O)C=C1F 2621-3-5U [0,2,0,0,0,0|0,0,0]=2 75 B13R1.511 CC(=O)\C=C\C1=CC=C(Cl)C(Cl)=C1 2921-5-10 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.11 COC(=O)CC(O)C1=CC=CC=C1 2629-1-3Y [0,2,0,0,0,0|0,0,2]=4 77 B13R1.11 COC(=O)\C=C(/N)C1=CC=CC=C1 4636-1-07 [0,2,0,0,0,0|0,0,0]=2 78 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 2623-5-1E [0,2,0,0,0,0|0,0,2]=4 79 B13R1.15 COC(=O)\C=C\C1=CC=CC(O)=C1 2629-1-2U [0,2,0,0,0,0|0,0,0]=2 80 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 4658-1-R1A [0,2,0,0,0,0|0,0,2]=4 81 B13R1.135 COC(=O)\C(C)=C\C1=CC=CC=C1 2623-1-EB [0,2,0,0,0,0|0,0,0]=2 82 B13R1.528 COC(=O)CCC1=C(Cl)C=CC=C1 2623-5-1F [0,2,0,0,0,0|0,0,2]=4 83 B13R1.528 COC(=O)CCC1=CC=CC=C1Br 2623-9-34 [0,2,0,0,0,0|0,0,2]=4 84 B13R1.528 COC(=O)CNC1=C(F)C=CC=C1 4631-3-0C [0,2,0,0,0,0|1,0,1]=4 85 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Cl 2624-5-E0 [0,2,0,0,0,0|0,0,0]=2 86 B13R1.148 O=C(O)C(O)CC1=CC=CC(F)=C1 2629-3-0G [0,2,0,0,0,0|0,0,2]=4 87 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 2629-3-SG [0,2,0,0,0,0|0,0,2]=4 88 B13R1.148 O=C(O)[C@H](O)CC1=CC=CC(Br)=C1 2629-9-R3 [0,2,0,0,0,0|0,0,2]=4 89 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 4657-5-S0 [0,2,0,0,0,0|0,0,2]=4 90 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O 2621-1-0N [0,2,0,0,0,0|1,0,1]=4 91 B13R1.147 CC(CC(=O)O)C1=CC=CC(O)=C1 2629-1-1T [0,2,0,0,0,0|0,0,2]=4 92 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O 2620-1-68 [0,2,0,0,0,0|1,0,1]=4 93 B13R1.713 N#CC(CC(=O)O)C1=CC=CC=C1 4637-1-3K [0,2,0,0,0,0|0,0,2]=4 94 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O 4637-1-2Y [0,2,0,0,0,0|0,0,2]=4 95 B13R1.893 CC(=O)\C=C\C1=C(F)C=CC(F)=C1 2617-3-EA [0,2,0,0,0,0|1,0,0]=3 96 B13R1.893 O=C(O)CCC1=CC(Br)=CC=C1O 2629-9-0D [0,2,0,0,0,0|0,0,2]=4 97 B13R1.643 N#CC1=CC(CCC(=O)O)=CC=C1 4637-1-2J [0,2,0,0,0,0|0,0,2]=4 98 B11R1.53 C=CC1=C([N+](=O)[O-])C=CC=C1 4954-1-0C [0,0,1,1,0,0|1,0,1]=4 99 B11R1.53 O=CC1=CC=CC=C1C(=O)Cl 2616-5-0B [0,0,1,1,0,0|2,0,0]=4 100 B11R2.1 BrC1=CNC2=CC=CC=C12 3H31-9-0A [1,0,0,1,0,0|2,0,0]=4 101 B11R2.1 OC1=C2C=CC=NC2=CN1 4H56-1-284 [1,0,0,1,0,0|2,0,0]=4 102 B11R2.10 ClC1=CC2=CC=CC=C2N1 3H32-5-MH [0,0,0,1,1,0|2,0,0]=4 103 B11R2.10 ClC1=CC2=CC=CC=C2O1 2H10-5-0N [0,0,0,1,1,0|1,0,0]=3 104 B11R2.10 IC1=CC2=CC=CC=C2N1 3H31-H-01 [0,0,0,1,1,0|2,0,0]=4 105 B13R2.10 BrC1=NN=C(C2=CC=CC=C2)O1 4H56-9-88 [0,0,0,1,0,1|2,0,0]=4 106 B13R2.10 IC1=NN(C2=CC=CC=C2)C=C1 3H32-H-81 [0,0,0,1,0,1|2,0,0]=4 107 B13R2.10 O=C1NC(C2=CC=CC=C2)=NS1 8H70-1-1U [0,0,0,1,0,1|2,0,0]=4 108 B13R2.72 O=C(Cl)C1=NNC2=CC=CC=C21 4H16-5-0J [0,0,0,1,0,1|2,0,0]=4 109 B13R2.72 O=C(O)C1=CNC2=NC=CN=C12 4H58-1-WB [0,0,0,1,0,1|2,0,0]=4 110 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 4H58-1-MP [0,0,0,1,0,1|1,0,0]=3 111 B13R2.155 CC1=CC2=NC(C)=CC=C2C=C1 3H32-1-FR [0,1,0,1,0,0|2,0,0]=4 112 B13R2.155 CC1=NC2=CC(Br)=CC=C2C=C1 3H32-9-76 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.155 ClC1=CC2=NC(Cl)=CC=C2C=C1 3H32-5-DC [0,1,0,1,0,0|2,0,0]=4 114 B13R2.155 FC1=CC2=NC(Cl)=CC=C2C=C1 3H32-7-6S [0,1,0,1,0,0|2,0,0]=4 115 B13R2.155 OC1=NC2=NC(F)=CC=C2C=C1 D411-B-84 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 1700-9-54 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.32 O=C1COC2=C(C=CC=C2)N1O 4H56-1-04M [0,1,0,1,0,0|1,0,1]=4 118 B13R2.32 OC1=C(O)C2=CC=CC=C2C=C1 2604-1-0X [0,1,0,1,0,0|0,0,1]=3 119 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 3H32-5-LM [0,1,0,1,0,0|2,0,0]=4 120 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br 1600-9-14 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br 3H32-9-71 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 3H30-1-CE [0,1,0,1,0,0|2,0,0]=4 123 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 3H30-5-2G [0,1,0,1,0,0|2,0,0]=4 124 B13R2.369 CC1=NC2=CC=CC=C2C=C1O 4H01-1-8A [0,1,0,1,0,0|2,0,0]=4 125 B13R2.369 CN1CC2=CC=CC=C2OC1=O 4H56-1-06E [0,1,0,1,0,0|1,0,1]=4 126 B13R2.369 ClC1=NC2=CC=CC=C2C=C1I 3H32-M-05 [0,1,0,1,0,0|2,0,0]=4 127 B13R2.369 OC1=NC2=CC=CC=C2C=C1Cl 4H01-5-2R [0,1,0,1,0,0|1,0,0]=3 128 B13R2.369 OC1=NC2=CC=CC=C2N=C1F 4H01-3-1C [0,1,0,1,0,0|2,0,0]=4 129 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 4H17-1-8J [0,1,0,1,0,0|1,0,0]=3 130 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 4H21-1-75 [0,1,0,1,0,0|1,0,0]=3 131 B13R2.435 O=C(O)C1=NC2=CC=NC=C2S1 8H21-1-83 [0,1,0,1,0,0|2,0,0]=4 132 B13R2.5179 CC1=NC=CC2=NC(O)=CC=C12 4H01-1-7M [0,1,0,1,0,0|2,0,0]=4 133 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 4H17-9-51 [0,1,0,1,0,0|1,0,0]=3 134 B13R2.5179 OC1=CC2=NC=CC(O)=C2C=C1 4H04-1-17 [0,1,0,1,0,0|2,0,0]=4 135 B13R2.162 NC1=CC=CC2=CC=C(Br)C=C12 3630-9-0G [0,1,0,1,0,0|2,0,0]=4 136 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 2H15-1-0F [0,1,0,1,0,0|0,0,0]=2 137 B13R2.3683 NC1=CC2=CC=C(O)N=C2C=C1 4H30-1-8J [0,1,0,1,0,0|1,0,0]=3 138 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 2601-5-0R [0,1,0,1,0,0|1,0,0]=3 139 B13R2.3683 OC1=CC2=CN=C(Cl)C=C2C=C1 4H01-5-12 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.3683 OC1=NC2=CC=C(I)C=C2C=C1 4H56-H-61 [0,1,0,1,0,0|1,0,0]=3