0 B11R1.91 CC(C)NCC1=CC=CN=C1 3H31-1-A0 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 NC(=O)CCC1=CC=CC=N1 4H48-1-VK [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 NC(=O)CCC1=CC=NC=C1 4H48-1-VM [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 O=C(Cl)CNC1=CC=CC=C1 4631-5-00 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.91 O=C(O)C#CC1=CC=CC=N1 4H58-1-470 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 O=C(O)C#CC1=CC=CN=C1 4H58-1-471 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [1,0,0,0,0,0|2,0,1]=4 9 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [1,0,0,0,0,0|0,0,1]=2 10 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2717-1-1A [0,1,0,0,0,0|1,0,0]=2 11 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 4648-9-0A [0,1,0,0,0,0|1,0,0]=2 12 B12R1.21 CC(=O)NCC1=CC=C(Cl)C=C1 4648-5-2E [0,1,0,0,0,0|1,0,0]=2 13 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4H48-5-H8 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.21 CC(=O)NCC1=CC=C(O)C=C1 4648-1-4J [0,1,0,0,0,0|1,0,0]=2 15 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 2623-5-0N [0,1,0,0,0,0|0,0,0]=1 16 B12R1.21 CC(O)CCC1=CC=C(Br)C=C1 2602-9-00 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6661-1-0B [0,1,0,0,0,0|2,0,0]=3 18 B12R1.27 COC(=O)C#CC1=CC=CC=N1 4H24-1-02 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.27 COC(=O)C#CC1=CC=CN=C1 4H24-1-01 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.27 COC(=O)C#CC1=CC=NC=C1 4H58-1-469 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.27 COC(=O)CCC1=CC=CC=N1 4H58-1-466 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 4H23-1-J0 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.27 COC(=O)\C=C\C1=NC=CC=C1 4H23-1-LJ [0,1,0,0,0,0|2,0,1]=4 24 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 4656-1-SV [0,1,0,0,0,0|1,0,2]=4 25 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 2607-1-S1 [0,1,0,0,0,0|0,0,2]=3 26 B12R1.27 NCC(=O)NCC1=CC=CC=C1 4648-1-6R [0,1,0,0,0,0|1,0,0]=2 27 B12R1.43 O=C(Cl)C(Br)CC1=CC=CC=C1 2616-D-05 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 2629-1-2Q [0,1,0,0,0,0|2,0,0]=3 29 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 4636-1-Z8 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 4654-1-V5 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.125 CC(=O)SCC1=CC=CC=C1F 6667-3-02 [0,1,0,0,0,0|0,1,0]=2 32 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl 2716-5-0D [0,1,0,0,0,0|2,0,0]=3 33 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl 2916-5-01 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.226 CC(=O)OCC1=CC(O)=CC=C1 2629-1-4A [0,1,0,0,0,0|0,0,0]=1 35 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 6667-3-01 [0,1,0,0,0,0|0,1,0]=2 36 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 4648-9-59 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.226 NC(=O)NCC1=CC(Cl)=CC=C1 4653-5-0D [0,1,0,0,0,0|2,0,0]=3 38 B12R1.226 O=C(O)CSC1=CC=CC(F)=C1 6666-3-24 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.24 CC1=NC2=CC=CC=C2N=N1 3H32-1-MW [0,0,0,1,0,0|3,0,0]=4 40 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 4H48-1-0AW [0,0,0,1,0,0|2,0,0]=3 41 B12R2.24 O=C1NCC2=CC=CC=C2O1 4H56-1-06F [0,0,0,1,0,0|2,0,0]=3 42 B12R2.92 CC1(C)NC1C2=CC=CC=C2 3631-1-06 [0,0,0,1,0,0|2,0,1]=4 43 B12R2.2403 CC1(C)NCC2=CC=CC=C21 3H31-1-1W [0,0,0,1,0,0|2,0,1]=4 44 B10R1.18 CC(C)CC1=CC=NC=C1 3H32-5-JC [0,0,0,0,1,0|2,0,1]=4 45 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [0,0,0,0,1,0|0,0,2]=3 46 B10R1.18 O=C([O-])CC1=CC=NN=C1 4H58-1-QC [0,0,0,0,1,0|3,0,0]=4 47 B10R1.18 O=C([O-])CC1=NC=CC=N1 4H58-1-QD [0,0,0,0,1,0|3,0,0]=4 48 B12R1.252 N=C(N)NCCC1=CC=CC=C1 8664-1-28 [0,0,0,0,0,1|3,0,0]=4 49 B12R1.252 O=C(O)COCC1=CC=NC=C1 4H21-5-4S [0,0,0,0,0,1|2,0,0]=3 50 B9R1.8 NOCC1=CC=CN=C1 4H47-1-62 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.1 C=CCCC1=CC=C(Br)C=C1 1900-9-X3 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 1900-5-15 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.16 CC(NC=O)C1=CN=CC=C1 4H48-1-3J [1,1,0,0,0,0|2,0,0]=4 54 B11R1.16 CC(NC=O)C1=NC=CC=C1 4H48-1-3H [1,1,0,0,0,0|2,0,0]=4 55 B11R1.17 CCNCC1=C(O)C=CC=C1 4631-1-19 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.24 C=CCCC1=CC=CC(Br)=C1 1900-9-04 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.24 CCNCC1=CC=CC(F)=C1 3H31-3-0R [1,1,0,0,0,0|1,0,1]=4 58 B11R1.24 O=CCCC1=CC(Br)=CC=C1 2615-9-42 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.28 N#CCOCC1=CC=CC=C1 4637-1-1L [1,1,0,0,0,0|0,0,2]=4 60 B11R1.20 CC(=O)NC1=CC=C(Cl)N=C1 4H48-5-HJ [0,1,0,0,1,0|2,0,0]=4 61 B11R1.20 CC(C)CC1=CC=C(O)C=C1 2701-1-1K [0,1,0,0,1,0|1,0,1]=4 62 B11R1.20 CN(C)CC1=CC=C(Cl)C=C1 3632-5-0A [0,1,0,0,1,0|2,0,0]=4 63 B11R1.20 CN(C)CC1=CC=C(O)C=C1 4632-1-0S [0,1,0,0,1,0|2,0,0]=4 64 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 4H57-1-02 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.36 NC(C(=O)O)C1=CC=CC=N1 4H57-5-24 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.36 O=C(Cl)C(O)C1=CC=CC=C1 2616-5-0C [0,1,0,0,1,0|1,0,0]=3 67 B11R1.86 CC(=O)NC1=NC=CC=C1N 4H48-1-97 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.86 NC(=O)CC1=CC=CC=C1I 4648-H-06 [0,1,0,0,1,0|1,0,0]=3 69 B11R1.157 CC(C)OC1=CC(Cl)=CC=C1 2607-5-2D [0,1,0,0,1,0|1,0,1]=4 70 B11R1.157 CC(C)OC1=CC(O)=CC=C1 2607-1-2H [0,1,0,0,1,0|1,0,1]=4 71 B11R1.157 CN(C)CC1=CC=CC(Cl)=C1 3632-5-0D [0,1,0,0,1,0|2,0,0]=4 72 B11R1.157 O=C(O)CC1=CN=CC(F)=C1 4H58-3-1L [0,1,0,0,1,0|2,0,0]=4 73 B11R1.509 CC(C)(C)OC1=CC=CC=C1 2607-1-1N [0,1,0,0,1,0|1,0,1]=4 74 B11R1.25 COC(=O)CCC1=CC=CN1 4H23-1-8N [0,1,0,0,1,0|2,0,0]=4 75 B11R1.25 COC(=O)CCN1C=CC=C1 4H23-1-JH [0,1,0,0,1,0|2,0,0]=4 76 B13R1.158 O=C(O)CCCC1=CC=CC=C1F 2721-3-1Q [0,1,0,0,0,1|2,0,0]=4 77 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=C1 4621-5-00 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.718 COC(=O)N\N=C\C1=CC=CC=C1 4656-1-EB [0,1,0,0,0,1|1,0,1]=4 79 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 4756-1-0G [0,1,0,0,0,1|1,0,1]=4 80 B13R1.3 CC(=O)\C=C\C1=CC=C(C=O)C=C1 2917-1-0L [0,2,0,0,0,0|1,0,1]=4 81 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 2723-1-1X [0,2,0,0,0,0|1,0,0]=3 82 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 2623-5-0S [0,2,0,0,0,0|1,0,0]=3 83 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 4658-5-0U [0,2,0,0,0,0|2,0,0]=4 84 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 4630-1-2B [0,2,0,0,0,0|2,0,0]=4 85 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 2623-1-1A [0,2,0,0,0,0|2,0,0]=4 86 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 87 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 88 B13R1.133 CC(=O)C(C)OC1=CC=C(C)C=C1 2717-1-0H [0,2,0,0,0,0|2,0,0]=4 89 B13R1.133 CC(=O)C(C)OC1=CC=C(Cl)C=C1 2617-5-0G [0,2,0,0,0,0|2,0,0]=4 90 B13R1.133 CC(=O)C(C)OC1=CC=C(F)C=C1 2617-3-0L [0,2,0,0,0,0|2,0,0]=4 91 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)Cl 2716-7-19 [0,2,0,0,0,0|2,0,0]=4 92 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 4657-1-56 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 2629-5-46 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 2729-3-08 [0,2,0,0,0,0|2,0,0]=4 95 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 2629-3-S0 [0,2,0,0,0,0|2,0,0]=4 96 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 2629-3-R0 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.164 NC1=CC=C(CCC(=O)O)C(F)=C1 4757-3-43 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl 2621-7-76 [0,2,0,0,0,0|2,0,0]=4 99 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1F 2729-3-04 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.511 CC(=O)\C=C\C1=CC=C(Cl)C(Cl)=C1 2921-5-10 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.512 CC(C)(C)OCC1=CC=C(O)C=C1 2607-1-1Z [0,2,0,0,0,0|1,0,1]=4 102 B13R1.512 CC1=CC=C(CNS(C)(=O)=O)C=C1 8769-1-0G [0,2,0,0,0,0|2,0,0]=4 103 B13R1.512 CS(=O)(=O)NCC1=CC=C(F)C=C1 8667-3-09 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.11 COC(=O)CC(O)C1=CC=CC=C1 2629-1-3Y [0,2,0,0,0,0|1,0,0]=3 105 B13R1.11 COC(=O)\C=C(/N)C1=CC=CC=C1 4636-1-07 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 2623-5-1E [0,2,0,0,0,0|1,0,0]=3 107 B13R1.15 COC(=O)\C=C\C1=CC=CC(O)=C1 2629-1-2U [0,2,0,0,0,0|1,0,1]=4 108 B13R1.42 CCOC(=O)CCC1=CC=CN=C1 4H58-1-464 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.42 CCOC(=O)CCC1=CC=NC=C1 4H58-1-465 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.42 N#CNC(=O)OCC1=CC=CC=C1 4656-1-9Y [0,2,0,0,0,0|0,0,1]=3 111 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 4658-1-R1A [0,2,0,0,0,0|1,0,0]=3 112 B13R1.135 COC(=O)\C(C)=C\C1=CC=CC=C1 2623-1-EB [0,2,0,0,0,0|1,0,1]=4 113 B13R1.528 COC(=O)CCC1=C(Cl)C=CC=C1 2623-5-1F [0,2,0,0,0,0|1,0,0]=3 114 B13R1.528 COC(=O)CCC1=CC=CC=C1Br 2623-9-34 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.528 COC(=O)CNC1=C(F)C=CC=C1 4631-3-0C [0,2,0,0,0,0|2,0,0]=4 116 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Cl 2624-5-E0 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.148 CC(=O)C(C)OC1=CC(C)=CC=C1 2717-1-0J [0,2,0,0,0,0|2,0,0]=4 118 B13R1.148 CC(=O)C(C)OC1=CC(Cl)=CC=C1 2617-5-0H [0,2,0,0,0,0|2,0,0]=4 119 B13R1.148 CC(=O)C(C)OC1=CC(F)=CC=C1 2617-3-0M [0,2,0,0,0,0|2,0,0]=4 120 B13R1.148 O=C(O)C(O)CC1=CC=CC(F)=C1 2629-3-0G [0,2,0,0,0,0|2,0,0]=4 121 B13R1.148 O=C(O)[C@@H](O)CC1=CC=CC(F)=C1 2629-3-SG [0,2,0,0,0,0|2,0,0]=4 122 B13R1.148 O=C(O)[C@H](O)CC1=CC=CC(Br)=C1 2629-9-R3 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.202 CC(=O)C(C)OC1=C(Cl)C=CC=C1 2617-5-0J [0,2,0,0,0,0|2,0,0]=4 124 B13R1.202 CC(=O)C(C)OC1=C(F)C=CC=C1 2617-3-0N [0,2,0,0,0,0|2,0,0]=4 125 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 4657-5-S0 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.147 CC(CC(=O)O)C1=CC=CC(O)=C1 2629-1-1T [0,2,0,0,0,0|2,0,0]=4 127 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O 2620-1-68 [0,2,0,0,0,0|1,0,1]=4 128 B13R1.713 N#CC(CC(=O)O)C1=CC=CC=C1 4637-1-3K [0,2,0,0,0,0|2,0,0]=4 129 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O 4637-1-2Y [0,2,0,0,0,0|2,0,0]=4 130 B13R1.157 CC(C)(C)OCC1=C(O)C=CC=C1 2607-1-2U [0,2,0,0,0,0|1,0,1]=4 131 B13R1.893 CC(=O)\C=C\C1=C(F)C=CC(F)=C1 2617-3-EA [0,2,0,0,0,0|1,0,1]=4 132 B13R1.893 O=C(O)CCC1=CC(Br)=CC=C1O 2629-9-0D [0,2,0,0,0,0|2,0,0]=4 133 B13R1.643 N#CC1=CC(CCC(=O)O)=CC=C1 4637-1-2J [0,2,0,0,0,0|2,0,0]=4 134 B13R1.838 CC(C)(C)OCC1=CC(O)=CC=C1 2607-1-2G [0,2,0,0,0,0|1,0,1]=4 135 B11R2.1 C=C1CCC2=CC=CC=C12 1700-1-70 [1,0,0,1,0,0|1,0,1]=4 136 B11R2.1 O=C1CCC2=NC=CC=C12 4H17-1-3K [1,0,0,1,0,0|2,0,0]=4 137 B11R2.1 O=C1NCC2=CC=NC=C12 4H48-1-AW [1,0,0,1,0,0|2,0,0]=4 138 B11R2.1 O=C1NCC2=NC=CC=C12 4H48-1-11 [1,0,0,1,0,0|2,0,0]=4 139 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 3H31-1-S1 [0,0,0,1,1,0|1,0,1]=4 140 B11R2.10 ClC1=CC2=CC=CC=C2O1 2H10-5-0N [0,0,0,1,1,0|1,0,1]=4 141 B11R2.10 O=C1CC2=C(C=NC=C2)N1 4H48-5-69 [0,0,0,1,1,0|2,0,0]=4 142 B11R2.10 O=C1CN2C=CC=CC2=N1 4H48-9-98 [0,0,0,1,1,0|2,0,0]=4 143 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 4H48-1-03U [0,0,0,1,0,1|2,0,0]=4 144 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 4H48-1-0A4 [0,0,0,1,0,1|1,0,0]=3 145 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 2617-9-30 [0,1,0,1,0,0|1,0,0]=3 146 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 4H56-1-06G [0,1,0,1,0,0|0,0,0]=2 147 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 4H56-5-DQ [0,1,0,1,0,0|1,0,1]=4 148 B13R2.369 CN1CC2=CC=CC=C2OC1=O 4H56-1-06E [0,1,0,1,0,0|2,0,0]=4 149 B13R2.369 NC1CC2=C(C=CC=C2)NC1=O 4H30-5-0G [0,1,0,1,0,0|2,0,0]=4 150 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 4H17-1-8J [0,1,0,1,0,0|1,0,1]=4 151 B13R2.435 NC(=O)C1CC2=CC=CC=C2O1 4H48-1-03A [0,1,0,1,0,0|2,0,0]=4 152 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)C1 2617-5-39 [0,1,0,1,0,0|1,0,0]=3 153 B13R2.5179 O=C1CCC2=C(C=CC=C2Cl)C1 2617-5-41 [0,1,0,1,0,0|1,0,0]=3 154 B13R2.5179 O=C1CCC2=C(C=CC=C2F)C1 2717-3-23 [0,1,0,1,0,0|1,0,0]=3 155 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 4H48-1-SA [0,1,0,1,0,0|2,0,0]=4 156 B13R2.162 O=C1CCC2=C(C1)C(Cl)=CC=C2 2617-5-0F [0,1,0,1,0,0|1,0,0]=3 157 B13R2.162 O=C1CCC2=C(C1)C(F)=CC=C2 2617-3-0H [0,1,0,1,0,0|1,0,0]=3 158 B13R2.3683 NC1=CC=C2NC(=O)CCC2=C1 4H48-1-LX [0,1,0,1,0,0|2,0,0]=4 159 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 4H48-3-90 [0,1,0,1,0,0|2,0,0]=4 160 B13R2.3683 O=C1NC2=C(C=C(Br)C=N2)CO1 4H48-9-2Q [0,1,0,1,0,0|2,0,0]=4 161 B9R1.12 O=CSCC1=CC=CO1 6H66-1-1D [1,0,0,0,1,0|1,1,0]=4 162 B9R1.6 CC(=O)C1=CC=CN=N1 4H56-1-030 [0,0,0,0,2,0|2,0,0]=4