0 B10R1.18 CC(C)CC1=CC=NC=C1 3H32-5-JC [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 O=C([O-])CC1=CC=NN=C1 4H58-1-QC [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 CNCC1=CN=CN=C1 3H31-1-5J [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 N#CCC1=CC=CN=N1 3H37-1-0D [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 NNCC1=CN=CC=N1 3H39-1-34 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 NNCC1=CN=CN=C1 3H39-5-20 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 NOCC1=CC=CN=C1 4H47-1-62 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 O=C=NC1=CC=CN=C1 4H49-1-02 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.20 CC(=O)NC1=CC=C(Cl)N=C1 4H48-5-HJ [0,1,0,0,0,0|2,0,1]=4 10 B11R1.20 CC(C)CC1=CC=C(O)C=C1 2701-1-1K [0,1,0,0,0,0|1,0,0]=2 11 B11R1.20 CC(C)NC1=CC=C(F)C=N1 3H31-3-1M [0,1,0,0,0,0|3,0,0]=4 12 B11R1.20 CC(C)NC1=NN=C(Cl)C=C1 3H31-5-B5 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.20 CC(C)OC1=CC=C(O)C=N1 4H07-1-4S [0,1,0,0,0,0|3,0,0]=4 14 B11R1.20 CC(C)SC1=CC=C(O)C=C1 6666-1-0X [0,1,0,0,0,0|2,0,0]=3 15 B11R1.20 CC(C)SC1=NC=C(Cl)C=C1 7H66-5-0V [0,1,0,0,0,0|3,0,0]=4 16 B11R1.20 CN(C)CC1=CC=C(Cl)C=C1 3632-5-0A [0,1,0,0,0,0|2,0,0]=3 17 B11R1.20 CN(C)CC1=CC=C(O)C=C1 4632-1-0S [0,1,0,0,0,0|2,0,0]=3 18 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 4H57-1-02 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.40 CC(C#N)NC1=CC=CC=C1 3637-1-25 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.40 COC(=O)CC1=CC=NN=C1 4H58-1-AW [0,1,0,0,0,0|2,0,1]=4 21 B11R1.157 CC(C)NC1=CC=CC(F)=C1 3631-3-06 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.157 CC(C)OC1=CC(Cl)=CC=C1 2607-5-2D [0,1,0,0,0,0|2,0,0]=3 23 B11R1.157 CC(C)OC1=CC(O)=CC=C1 2607-1-2H [0,1,0,0,0,0|2,0,0]=3 24 B11R1.157 CC(C)OC1=CC=CC(Cl)=N1 4H56-5-FV [0,1,0,0,0,0|3,0,0]=4 25 B11R1.157 CC(C)SC1=CC(O)=CC=C1 6666-1-1H [0,1,0,0,0,0|2,0,0]=3 26 B11R1.157 CN(C)CC1=CC=CC(Cl)=C1 3632-5-0D [0,1,0,0,0,0|2,0,0]=3 27 B11R1.157 O=C(O)CC1=CN=CC(F)=C1 4H58-3-1L [0,1,0,0,0,0|2,0,1]=4 28 B11R1.509 CC(C)(C)OC1=CC=CC=C1 2607-1-1N [0,1,0,0,0,0|2,0,0]=3 29 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3630-5-34 [0,0,0,1,0,0|2,0,0]=3 30 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 3632-5-07 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.10 CC1=CC2=CC=NC=C2N1 3H32-1-A0 [0,0,0,1,0,0|1,0,2]=4 32 B11R2.10 CC1CC2=CC=CN=C2N1 3H31-1-GX [0,0,0,1,0,0|1,0,0]=2 33 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 3H31-1-S1 [0,0,0,1,0,0|2,0,0]=3 34 B11R2.10 O=C1CC2=C(C=NC=C2)N1 4H48-5-69 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.6 CC(=O)C1=CC=CN=N1 4H56-1-030 [0,0,0,0,1,0|2,0,1]=4 36 B9R1.6 CC(N)C1=CC=NN=C1 3H30-1-DF [0,0,0,0,1,0|2,0,0]=3 37 B9R1.6 CN(N)C1=NC=CN=C1 3H39-1-0B [0,0,0,0,1,0|3,0,0]=4 38 B9R1.13 C[C@H](O)CN1C=NC=N1 4H02-1-S0 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.91 CC(C)COC1=CC=CC=N1 4H07-1-5Z [0,0,0,0,0,1|2,0,0]=3 40 B11R1.91 CC(C)NCC1=CC=CN=C1 3H31-1-A0 [0,0,0,0,0,1|0,0,0]=1 41 B11R1.91 NC(=O)CCC1=CC=CN=C1 4H48-1-VL [0,0,0,0,0,1|2,0,1]=4 42 B11R1.91 O=C(Cl)CCC1=CC=CN=C1 4H16-5-67 [0,0,0,0,0,1|2,0,1]=4 43 B8R1.2 ClCC1=CC=CN=N1 3H32-5-D3 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 ICC1=CC=CN=C1 3H32-H-90 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 NCC1=CC=CN=N1 3H30-1-U2 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 NCC1=CC=NN=C1 3H32-5-C3 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 SCC1=CC=CN=C1 7H61-1-08 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.1 CCCC1=CC=C(F)C=C1 1700-3-14 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.1 CCOC1=CC=C(N)N=C1 4H30-1-AC [1,1,0,0,0,0|1,0,0]=3 50 B10R1.1 CCSC1=CC=C(O)C=C1 6666-1-0Z [1,1,0,0,0,0|2,0,0]=4 51 B10R1.1 COCC1=CC=C(Cl)C=C1 2607-5-29 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.4 CCSC1=C(O)C=CC=C1 6666-1-1Q [1,1,0,0,0,0|2,0,0]=4 53 B10R1.4 CNCC1=C(O)C=CC=C1 4633-5-06 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.10 CCSC1=CC=CC(O)=C1 6666-1-1K [1,1,0,0,0,0|2,0,0]=4 55 B10R1.10 COCC1=CC(O)=CC=C1 2607-1-2K [1,1,0,0,0,0|2,0,0]=4 56 B10R1.10 N#CCC1=CC(F)=CN=C1 3H37-3-47 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 2602-1-R4 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.17 CCCCC1=CC=NC=C1 3H32-1-JJ [1,1,0,0,0,0|2,0,0]=4 59 B10R1.17 CCOCC1=CC=CC=C1 2607-1-1V [1,1,0,0,0,0|1,0,0]=3 60 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 1700-D-15 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.13 CC(C)C1=CC=C(N)N=C1 3H30-1-3E [0,1,0,0,1,0|0,0,0]=2 62 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 4H55-1-1C [0,1,0,0,1,0|2,0,0]=4 63 B10R1.13 CC(C)C1=CN=C(N)N=C1 3H30-1-TT [0,1,0,0,1,0|1,0,0]=3 64 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 1700-7-30 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.13 CC1=CC=C(C(C)O)C=N1 4H02-1-0E [0,1,0,0,1,0|1,0,0]=3 66 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 2602-5-R0 [0,1,0,0,1,0|2,0,0]=4 67 B10R1.13 C[C@H](N)C1=CC=C(Cl)N=C1 3H30-5-S6 [0,1,0,0,1,0|1,0,0]=3 68 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 3633-9-01 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.61 CC(C)C1=CC=CN=C1N 3H30-1-LE [0,1,0,0,1,0|0,0,0]=2 70 B10R1.113 CC(N)C1=CC=CC(N)=C1 3630-1-X5 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.54 CC(C)CN1C=C(O)C=N1 4H01-1-F2 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.54 CN(C)CC1=CC(Br)=CS1 7H66-9-20 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.64 CC(C)CN1N=CC=C1Cl 3H32-5-TR [0,1,0,0,1,0|1,0,0]=3 74 B10R1.64 CC(C)CN1N=CC=C1O 4H01-1-F1 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4H48-5-H8 [0,1,0,0,0,1|1,0,1]=4 76 B12R1.21 CC(C)COC1=CC=C(Cl)C=C1 2607-5-2B [0,1,0,0,0,1|1,0,0]=3 77 B12R1.21 CC(C)COC1=CC=C(O)C=C1 2607-1-2B [0,1,0,0,0,1|1,0,0]=3 78 B12R1.21 CC(C)CSC1=CC=C(O)C=C1 6666-1-0U [0,1,0,0,0,1|1,0,0]=3 79 B12R1.21 CC(N)COC1=CC=C(F)C=C1 4656-3-7X [0,1,0,0,0,1|2,0,0]=4 80 B12R1.21 CC(O)CCC1=CC=C(Br)C=C1 2602-9-00 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 4656-1-SV [0,1,0,0,0,1|1,0,0]=3 82 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 2607-1-S1 [0,1,0,0,0,1|1,0,0]=3 83 B12R1.125 CC(C)COC1=C(Cl)C=CC=C1 2607-5-2K [0,1,0,0,0,1|1,0,0]=3 84 B12R1.125 CC(C)COC1=NC=CC=C1Cl 4H07-5-3B [0,1,0,0,0,1|2,0,0]=4 85 B12R1.226 CC(C)COC1=CC(Cl)=CC=C1 2607-5-2H [0,1,0,0,0,1|1,0,0]=3 86 B12R1.226 CC(C)COC1=CC(O)=CC=C1 2607-1-2N [0,1,0,0,0,1|1,0,0]=3 87 B12R1.226 CC(C)COC1=CC=CC(Cl)=N1 4H56-5-FS [0,1,0,0,0,1|2,0,0]=4 88 B12R1.226 CC(C)CSC1=CC(O)=CC=C1 6666-1-1F [0,1,0,0,0,1|1,0,0]=3 89 B12R1.4 CC(C)SC1=CC=C(C=O)C=C1 6666-1-0Y [0,2,0,0,0,0|2,0,0]=4 90 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 3637-1-19 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.20 CN(C)C(=O)C1=CC=C(Cl)N=C1 4H48-5-GC [0,2,0,0,0,0|1,0,1]=4 92 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 4H23-9-0N [0,2,0,0,0,0|1,0,1]=4 93 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4656-3-R6 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 4656-3-S6 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.233 CC1=C(OC(C)C)C=CC(Cl)=C1 2707-5-0F [0,2,0,0,0,0|2,0,0]=4 96 B12R1.233 CC1=CC(O)=CC=C1OC(C)C 2707-1-1F [0,2,0,0,0,0|2,0,0]=4 97 B12R1.233 CN(C)CC1=CC=C(Br)C=C1F 3632-B-10 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.564 NC(C1=CC=CN=C1)C(F)(F)F 3H30-3-0K [0,2,0,0,0,0|2,0,0]=4 99 B12R1.564 NC(C1=CC=CN=C1)C(F)(F)F 3H30-7-40 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 4656-3-CA [0,2,0,0,0,0|2,0,0]=4 101 B12R1.118 N#CC(CO)CC1=CC=CC=C1 4637-1-77 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl 4656-5-S5 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F 4656-3-S9 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.127 CC(C)OC1=CC(O)=CC=C1Cl 2607-5-1J [0,2,0,0,0,0|2,0,0]=4 105 B12R1.151 CC(C)(C)OC1=CC=CC=C1N 4630-1-29 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 2603-5-06 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.224 CC(C)OC1=C(Cl)C(F)=CC=C1 2607-7-0J [0,2,0,0,0,0|2,0,0]=4 108 B12R1.224 CC(C)OC1=C(F)C(Cl)=CC=C1 2607-7-0R [0,2,0,0,0,0|2,0,0]=4 109 B12R1.224 CC(C)OC1=CC=CC(F)=C1O 2607-3-7M [0,2,0,0,0,0|2,0,0]=4 110 B12R1.224 CC(C)OC1=CC=CC(O)=C1F 2607-3-8B [0,2,0,0,0,0|2,0,0]=4 111 B12R1.101 CC(C)OC1=CC(Br)=CC(Br)=C1 2607-9-0L [0,2,0,0,0,0|2,0,0]=4 112 B12R1.101 CC(C)OC1=CC(Cl)=CC(F)=C1 2607-7-0N [0,2,0,0,0,0|2,0,0]=4 113 B12R1.101 CC(C)OC1=CC(O)=CC(F)=C1 2607-3-7F [0,2,0,0,0,0|2,0,0]=4 114 B12R1.101 CC1=CC(O)=CC(OC(C)C)=C1 2707-1-1M [0,2,0,0,0,0|2,0,0]=4 115 B12R1.101 CC1=CC(OC(C)C)=CC(Cl)=C1 2707-5-0J [0,2,0,0,0,0|2,0,0]=4 116 B10R2.7 C1=NC=C2CCNC2=C1 3H31-1-19 [1,0,0,1,0,0|1,0,0]=3 117 B10R2.320 OC1CC2=CC=CC=C21 2602-1-0H [1,0,0,1,0,0|2,0,0]=4 118 B12R2.24 O=C1CC2=C(C=NC=C2)CN1 4H48-1-0AW [0,0,0,1,0,1|1,0,1]=4 119 B12R2.92 CC1(C)NC1C2=CC=CC=C2 3631-1-06 [0,0,0,1,0,1|1,0,0]=3 120 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 3H31-1-9Z [0,0,0,1,0,1|2,0,0]=4 121 B12R2.2403 CC1(C)NCC2=CC=CC=C21 3H31-1-1W [0,0,0,1,0,1|1,0,0]=3 122 B12R2.79 NC1CC1C2=CC=C(F)C=C2 3730-3-28 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.294 ClC1=CC=C(OC2CC2)C=C1 2607-5-27 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.294 OC1=CC=C(SC2CC2)C=C1 6666-1-1A [0,1,0,1,0,0|2,0,0]=4 125 B12R2.18 CN1C(=O)CC2=CC=CN=C21 4H48-1-TH [0,1,0,1,0,0|1,0,1]=4 126 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@H]1O 4656-5-1H [0,1,0,1,0,0|2,0,0]=4 127 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 3633-5-S1 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.32 NCC1CC2=CC=CC=C2O1 4H30-5-00 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.32 OCC1CC2=CC=CC=C2O1 2H10-1-Y0 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.32 OC[C@H]1CC2=CC=CC=C2N1 4H56-1-R09 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 3H31-5-4X [0,1,0,1,0,0|1,0,0]=3 132 B12R2.2058 C1=CC=C(NC2COC2)C=C1 4H31-1-2C [0,1,0,1,0,0|2,0,0]=4 133 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4H56-5-DT [0,1,0,1,0,0|2,0,0]=4 134 B8R1.8 BrCCN1C=CC=N1 3H32-9-CK [1,0,0,0,1,0|2,0,0]=4 135 B8R1.8 NCCC1=CC=CS1 7H30-5-0B [1,0,0,0,1,0|2,0,0]=4 136 B8R1.8 NCCC1=CN=CN1 3H30-5-1X [1,0,0,0,1,0|2,0,0]=4 137 B8R1.8 NCCC1=NNC=C1 3H30-5-6U [1,0,0,0,1,0|2,0,0]=4 138 B8R1.7 CC(C)N1C=CC=N1 3H32-1-CY [0,0,0,0,2,0|1,0,0]=3 139 B8R1.7 CC(N)C1=CC=CO1 4H56-1-1T [0,0,0,0,2,0|2,0,0]=4 140 B8R1.7 CC(N)C1=CN=CO1 4H30-1-39 [0,0,0,0,2,0|2,0,0]=4 141 B8R1.7 CC(N)C1=COC=C1 4H30-1-CY [0,0,0,0,2,0|2,0,0]=4