0 B12R2.18 CC1=C(C)C2=CC=CN=C2N1 3H32-1-KD [0,0,0,0,0,0|2,0,0]=2 1 B12R2.18 CC1=C(N)SC2=CC=CC=C21 8H30-5-00 [0,0,0,0,0,0|1,1,0]=2 2 B12R2.18 CC1C(=O)NC2=NC=CC=C21 4H48-1-TL [0,0,0,0,0,0|3,0,1]=4 3 B12R2.18 CN1C(=O)CC2=CC=CN=C21 4H48-1-TH [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 BrC1=CNC2=CC=CC=C12 3H31-9-0A [1,0,0,0,0,0|2,0,0]=3 5 B11R2.1 C=C1CCC2=CC=CC=C12 1700-1-70 [1,0,0,0,0,0|1,0,2]=4 6 B11R2.1 CC1=C2C=CC=CN2C=N1 3H32-1-Z4 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 CN1C=NC2=CC=CN=C21 3H32-1-MY [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 NC1=CNC2=CC=NC=C12 3H30-5-V6 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 NC1=CNC2=CN=CC=C12 3H30-5-X2 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 NC1=CNC2=NC=CC=C12 3H30-5-V7 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 NC1=NSC2=CC=CC=C21 7H30-1-0H [1,0,0,0,0,0|2,1,0]=4 12 B11R2.1 [O-]C1=NSC2=CC=CC=C21 8H70-1-0Q [1,0,0,0,0,0|2,1,0]=4 13 B11R2.10 BrC1=CC2=CC=NC=C2N1 3H31-9-0F [1,0,0,0,0,0|3,0,0]=4 14 B11R2.10 CC1=CC2=CC=NC=C2N1 3H32-1-A0 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 3H31-1-S1 [1,0,0,0,0,0|1,0,2]=4 16 B11R2.10 ClC1=CC2=CC=CC=C2N1 3H32-5-MH [1,0,0,0,0,0|2,0,0]=3 17 B11R2.10 ClC1=CC2=CC=CC=C2O1 2H10-5-0N [1,0,0,0,0,0|1,0,0]=2 18 B11R2.10 ClC1=NC2=CC=CN=C2O1 4H56-5-LQ [1,0,0,0,0,0|3,0,0]=4 19 B11R2.10 IC1=CC2=CC=CC=C2N1 3H31-H-01 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.10 NC1=NC2=NC=CC=C2O1 4H56-1-0KF [1,0,0,0,0,0|3,0,0]=4 21 B11R2.10 SC1=NC2=CC=CN=C2O1 8H61-1-77 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.45 CC1=C(C=O)OC2=CC=CC=C21 2H15-1-0A [0,1,0,0,0,0|0,0,1]=2 23 B13R2.45 CSC1=[N+](C)C2=CC=CC=C2S1 8H66-1-3W [0,1,0,0,0,0|1,1,0]=3 24 B13R2.45 N#CC1=C(Cl)C2=CC=CC=C2N1 3H37-5-1A [0,1,0,0,0,0|2,0,1]=4 25 B13R2.45 N#CC1=C(N)C2=CC=CC=C2C1 3637-1-24 [0,1,0,0,0,0|2,0,1]=4 26 B13R2.135 CC1=C(C=O)C2=CC=CC=C2S1 6H15-1-0F [0,1,0,0,0,0|0,1,1]=3 27 B13R2.3028 CC1=CC=C2N=C(N)N(C)C2=C1 3H30-1-HZ [0,1,0,0,0,0|3,0,0]=4 28 B13R2.3028 CN1C(=O)CC2=CC=C(N)C=C21 4H48-1-BR [0,1,0,0,0,0|3,0,0]=4 29 B13R2.3028 CN1C2=CC(F)=CC=C2N=C1N 3H30-3-5N [0,1,0,0,0,0|3,0,0]=4 30 B13R2.3028 CN1CC2=CC=C(Br)C=C2C1=O 4H48-9-U1 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.3028 CN1CC2=CC=C(N)C=C2C1=O 4H48-1-AX [0,1,0,0,0,0|3,0,0]=4 32 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br 4H48-9-W7 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.4825 CN1C(=O)NC2=C(Br)C=CC=C21 4H53-9-05 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.4825 CN1C2=CC=CC(F)=C2N=C1N 3H30-3-5P [0,1,0,0,0,0|3,0,0]=4 35 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O 4H48-H-24 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.4856 CC1=C2C(=CC=C1)N=C(N)N2C 3H30-1-JA [0,1,0,0,0,0|3,0,0]=4 37 B13R2.5190 CC1=CC2=NC(C)=C(Br)N2C=C1 3H32-9-5V [0,1,0,0,0,0|3,0,0]=4 38 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 4H48-1-046 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.5190 CC1=NC2=CC(N)=CC=C2N1C 3H30-1-MQ [0,1,0,0,0,0|2,0,0]=3 40 B13R2.5190 CC1CC2=C(C=CC(F)=C2)C1=O 2717-3-0D [0,1,0,0,0,0|2,0,1]=4 41 B13R2.5190 CN1C2=CC=C(F)C=C2N=C1N 3H30-3-5Q [0,1,0,0,0,0|3,0,0]=4 42 B13R2.5190 CN1CC2=CC(N)=CC=C2C1=O 4H48-1-BE [0,1,0,0,0,0|3,0,0]=4 43 B11R1.36 FC(F)=C(Br)C1=CC=CC=C1 1900-B-03 [0,0,1,0,0,0|3,0,0]=4 44 B11R1.40 CNC(=O)OC1=CC=CC=C1 4656-1-7R [0,0,1,0,0,0|2,0,0]=3 45 B11R1.41 CCOC1=NC=CC=C1C=O 4H56-1-875 [0,0,1,0,0,0|2,0,1]=4 46 B11R1.41 COCC1=CC=CC=C1C=O 2615-1-2U [0,0,1,0,0,0|3,0,0]=4 47 B11R1.222 CCC(=O)C1=CC=CC=C1Cl 2617-5-31 [0,0,1,0,0,0|2,0,1]=4 48 B13R2.32 CC1=C(Br)C2=CC=NC=C2C=C1 3H32-9-AZ [0,0,0,0,0,1|3,0,0]=4 49 B13R2.32 CC1=C(Br)C=CC2=CC=CC=C21 1700-9-54 [0,0,0,0,0,1|2,0,0]=3 50 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 4H56-1-06G [0,0,0,0,0,1|2,0,0]=3 51 B13R2.32 ClC1=C(Br)C2=CC=CC=C2N=C1 3H32-D-0K [0,0,0,0,0,1|3,0,0]=4 52 B13R2.32 NC1=C(N)C2=CC=CC=C2N=C1 3H30-1-VX [0,0,0,0,0,1|3,0,0]=4 53 B13R2.32 O=C1COC2=C(C=CC=C2)N1O 4H56-1-04M [0,0,0,0,0,1|3,0,0]=4 54 B13R2.32 OC1=C(O)C2=CC=CC=C2C=C1 2604-1-0X [0,0,0,0,0,1|3,0,0]=4 55 B13R2.328 CC1=NC(N)=NC2=CC=CC=C21 3H30-1-80 [0,0,0,0,0,1|2,0,0]=3 56 B13R2.328 O=C1NC(Cl)=NC2=CC=CC=C12 4H48-5-4E [0,0,0,0,0,1|3,0,0]=4 57 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br 1600-9-14 [0,0,0,0,0,1|3,0,0]=4 58 B13R2.369 BrC1=CC2=CC=CC=C2N=C1Br 3H32-9-71 [0,0,0,0,0,1|3,0,0]=4 59 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 3H30-1-CE [0,0,0,0,0,1|2,0,0]=3 60 B13R2.369 CC1=NC2=CC=CC=C2C=C1N 3H30-5-2G [0,0,0,0,0,1|2,0,0]=3 61 B13R2.369 CC1=NC2=CC=CC=C2C=C1O 4H01-1-8A [0,0,0,0,0,1|2,0,0]=3 62 B13R2.369 CN1CC2=CC=CC=C2OC1=O 4H56-1-06E [0,0,0,0,0,1|2,0,0]=3 63 B13R2.369 ClC1=NC2=CC=CC=C2C=C1I 3H32-M-05 [0,0,0,0,0,1|3,0,0]=4 64 B13R2.369 OC1=NC2=CC=CC=C2C=C1Cl 4H01-5-2R [0,0,0,0,0,1|3,0,0]=4 65 B13R2.369 OC1=NC2=CC=CC=C2N=C1F 4H01-3-1C [0,0,0,0,0,1|3,0,0]=4 66 B10R1.15 C=CC(=O)C1=CC=CC=C1 2617-1-0U [1,0,1,0,0,0|1,0,1]=4 67 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 2615-1-R0 [1,0,1,0,0,0|0,0,2]=4 68 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 2615-1-S0 [1,0,1,0,0,0|0,0,2]=4 69 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 2702-1-X0 [1,0,1,0,0,0|0,0,2]=4 70 B10R1.4 CCSC1=C(O)C=CC=C1 6666-1-1Q [1,0,1,0,0,0|1,0,1]=4 71 B10R1.4 CNCC1=C(O)C=CC=C1 4633-5-06 [1,0,1,0,0,0|1,0,1]=4 72 B10R1.20 COC1=CC=NC=C1C=O 4H15-1-1W [1,0,1,0,0,0|2,0,0]=4 73 B10R1.61 O=C(Cl)C1=CC=CC=C1O 2616-5-0D [1,0,1,0,0,0|2,0,0]=4 74 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 2623-1-3M [0,1,1,0,0,0|0,0,2]=4 75 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 2623-1-3L [0,1,1,0,0,0|0,0,2]=4 76 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 2623-1-R0 [0,1,1,0,0,0|0,0,2]=4 77 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 4657-1-S3 [0,1,1,0,0,0|1,0,1]=4 78 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 4657-1-R3 [0,1,1,0,0,0|1,0,1]=4 79 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 2623-1-0W [0,1,1,0,0,0|1,0,1]=4 80 B12R1.112 CCOC1=CC=C(O)C=C1OC 2608-1-0T [0,1,1,0,0,0|1,0,1]=4 81 B12R1.268 CCOC1=CC(O)=CC=C1OC 2608-1-0W [0,1,1,0,0,0|1,0,1]=4 82 B12R1.308 CCNC(=O)C1=C(O)C=CC=C1 4648-1-3Y [0,1,1,0,0,0|1,0,1]=4 83 B12R1.354 COC(=O)C1=CC(O)=CC=C1O 2629-1-U8 [0,1,1,0,0,0|2,0,0]=4 84 B12R1.3441 COC(=O)C1=C(O)C=CC=C1Cl 2623-5-1G [0,1,1,0,0,0|2,0,0]=4 85 B12R2.1 N#CC1=COC2=CC=CC=C12 4H37-1-3F [1,1,0,0,0,0|0,0,1]=3 86 B12R2.1 OCC1=CN=C2C=CC=CN12 4H01-1-B0 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.132 BrC1=CC=C2NC=C(I)C2=C1 3H31-S-02 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.132 CC1=CNC2=NC=C(N)C=C12 3H30-1-DK [1,1,0,0,0,0|2,0,0]=4 89 B12R2.132 O=C1NOC2=CC=C(F)C=C12 4H48-3-6R [1,1,0,0,0,0|2,0,0]=4 90 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 3H32-9-9B [1,1,0,0,0,0|2,0,0]=4 91 B12R2.196 NC1=NOC2=C(Cl)C=CC=C12 4H30-5-1K [1,1,0,0,0,0|2,0,0]=4 92 B12R2.203 CC1=CNC2=NC=CC(Br)=C12 3H32-9-6Z [1,1,0,0,0,0|2,0,0]=4 93 B12R2.203 CC1=NNC2=CC=CC(O)=C21 4H56-1-WN [1,1,0,0,0,0|2,0,0]=4 94 B12R2.203 ClC1=C2C(Br)=CNC2=CC=C1 3H31-D-0L [1,1,0,0,0,0|2,0,0]=4 95 B12R2.612 CC1=CC=C2C(=C1)ON=C2N 4H30-1-BF [1,1,0,0,0,0|2,0,0]=4 96 B12R2.612 CC1=NOC2=CC(Cl)=CC=C21 4H47-5-0R [1,1,0,0,0,0|1,0,0]=3 97 B12R2.612 CN1C=CC2=CC(Cl)=CC=C21 3H32-5-TL [1,1,0,0,0,0|2,0,0]=4 98 B12R2.612 ClC1=CC=C2C(I)=CNC2=C1 3H31-M-02 [1,1,0,0,0,0|2,0,0]=4 99 B12R2.612 O=C1NOC2=CC(F)=CC=C12 4H48-3-6Q [1,1,0,0,0,0|2,0,0]=4 100 B12R2.32 CNC1=NC2=CC=CC=C2S1 7H31-1-0D [1,1,0,0,0,0|1,1,0]=4 101 B12R2.32 NCC1=CC2=CC=CC=C2N1 8H64-1-X6 [1,1,0,0,0,0|1,0,0]=3 102 B12R2.32 NCC1CC2=CC=CC=C2O1 4H30-5-00 [1,1,0,0,0,0|0,0,2]=4 103 B12R2.32 O=CC1=NC2=CC=CC=C2O1 4H15-1-1Y [1,1,0,0,0,0|1,0,1]=4 104 B12R2.32 OCC1=CC2=CC=NC=C2N1 4H56-1-0CD [1,1,0,0,0,0|2,0,0]=4 105 B12R2.32 OCC1=CC2=NC=CC=C2N1 4H56-1-0CE [1,1,0,0,0,0|2,0,0]=4 106 B12R2.32 OCC1CC2=CC=CC=C2O1 2H10-1-Y0 [1,1,0,0,0,0|0,0,2]=4 107 B12R2.202 CC1=C2N=C(N)OC2=CC=C1 4H30-1-BP [1,1,0,0,0,0|2,0,0]=4 108 B12R2.202 CC1=C2OC(N)=NC2=CC=C1 4H30-1-BE [1,1,0,0,0,0|2,0,0]=4 109 B12R2.202 CC1=CN2C(C)=CC=CC2=N1 3H32-1-GR [1,1,0,0,0,0|2,0,0]=4 110 B12R2.202 CC1=CN2C=CC=C(N)C2=N1 3H33-5-1D [1,1,0,0,0,0|2,0,0]=4 111 B12R2.202 CC1=NC2=CC=CC(Br)=C2O1 4H56-9-7Z [1,1,0,0,0,0|1,0,0]=3 112 B12R2.202 ClC1=C2OC(I)=CC2=NC=C1 4H56-M-44 [1,1,0,0,0,0|2,0,0]=4 113 B12R2.202 ClC1=C2SC(Br)=CC2=CC=C1 5H66-D-03 [1,1,0,0,0,0|1,1,0]=4 114 B12R2.202 NC1=NC2=CC=CC(Cl)=C2O1 4H30-5-1B [1,1,0,0,0,0|2,0,0]=4 115 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 8H67-1-1J [1,1,0,0,0,0|2,0,0]=4 116 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 3H32-9-64 [1,1,0,0,0,0|2,0,0]=4 117 B12R2.606 CC1=CC2=CC=C(O)C=C2O1 2H01-1-0M [1,1,0,0,0,0|0,0,0]=2 118 B12R2.606 CC1=CC2=NC(C)=CN2C=C1 3H32-1-A5 [1,1,0,0,0,0|2,0,0]=4 119 B12R2.606 CC1=CC=C2C=C(C)NC2=C1 3H32-1-JR [1,1,0,0,0,0|1,0,0]=3 120 B12R2.606 CC1=CN2C=C(Cl)C=CC2=N1 3H32-5-TE [1,1,0,0,0,0|2,0,0]=4 121 B12R2.606 NC1=CC2=CC(Br)=CC=C2S1 7H66-9-11 [1,1,0,0,0,0|1,1,0]=4 122 B14R2.92 COC1=C(O)C2=CC=CC=C2C=C1 2607-1-2X [0,1,0,0,0,1|2,0,0]=4 123 B14R2.92 OCC1=C(Cl)C2=C(C=CC=C2)CC1 2601-5-0A [0,1,0,0,0,1|2,0,0]=4 124 B14R2.1019 CC1=C2N=CC=CC2=CC(CO)=C1 4H56-1-HU [0,1,0,0,0,1|2,0,0]=4 125 B14R2.1019 CC1=NC(CO)=NC2=CC=CC=C21 4H56-1-0R7 [0,1,0,0,0,1|1,0,0]=3 126 B14R2.1019 CSC1=NC2=CC=CC=C2C(=O)N1 8H66-1-5E [0,1,0,0,0,1|2,0,0]=4 127 B14R2.1019 ClCC1=NC2=CC=CC=C2C(Cl)=N1 3H32-5-EG [0,1,0,0,0,1|2,0,0]=4 128 B14R2.8045 CC1=CC(O)=NC2=C(F)C=CC=C12 4H01-3-1R [0,1,0,0,0,1|2,0,0]=4 129 B14R2.8045 CC1=NC2=C(F)C=CC=C2C(Br)=C1 3H32-B-0L [0,1,0,0,0,1|2,0,0]=4 130 B14R2.8235 CC1=CC(Br)=NC2=CC=C(Cl)C=C12 3H32-D-0A [0,1,0,0,0,1|2,0,0]=4 131 B14R2.8235 CC1=CC2=C(C)C=C(Br)N=C2C=C1 3H32-9-8U [0,1,0,0,0,1|2,0,0]=4 132 B14R2.8235 O=C1CC(=O)C2=CC(O)=CC=C2O1 2H25-1-1W [0,1,0,0,0,1|2,0,0]=4 133 B14R2.28480 CC1=CC2=NC=CC(N)=C2C(C)=C1 3H30-1-CQ [0,1,0,0,0,1|2,0,0]=4 134 B14R2.29365 CC1=CC(=O)NC2=CC(Br)=CC=C12 4H48-9-U4 [0,1,0,0,0,1|2,0,0]=4 135 B14R2.29365 CC1=NC2=CC(Br)=CC=C2C(N)=C1 3H30-9-81 [0,1,0,0,0,1|2,0,0]=4 136 B14R2.29365 CC1=NC2=CC(F)=CC=C2C(N)=C1 3H30-3-4R [0,1,0,0,0,1|2,0,0]=4 137 B14R2.29496 CC1=CC(C)(C)NC2=CC=CC=C12 3H31-1-A2 [0,1,0,0,0,1|1,0,1]=4 138 B14R2.1128 COC1=CC2=NC=CC=C2C=C1C 5H07-1-00 [0,1,0,0,0,1|2,0,0]=4 139 B14R2.1128 COC1=NC2=CC=CC=C2C=C1O 4H07-1-5R [0,1,0,0,0,1|2,0,0]=4 140 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1I 4H01-H-0A [0,1,0,0,0,1|2,0,0]=4 141 B14R2.8239 CC1=CC2=CC(Br)=CC=C2N=C1N 3H30-9-34 [0,1,0,0,0,1|2,0,0]=4 142 B14R2.8239 CC1=NC2=CC(Cl)=CC=C2C=C1N 3H30-5-2J [0,1,0,0,0,1|2,0,0]=4 143 B14R2.28472 CC1=CC2=NC=CC(N)=C2C=C1C 3H30-1-CR [0,1,0,0,0,1|2,0,0]=4 144 B14R2.450 CC(=O)C1=C(Br)C2=CC=CC=C2O1 2H17-9-0E [0,2,0,0,0,0|1,0,0]=3 145 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 4H56-1-467 [0,2,0,0,0,0|1,0,0]=3 146 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 2721-1-3E [0,2,0,0,0,0|1,0,1]=4 147 B14R2.450 FC(F)C1=C(Br)C2=CC=CC=C2S1 5H66-B-11 [0,2,0,0,0,0|1,1,0]=4 148 B14R2.450 FC(F)C1=C(Cl)C2=CC=CC=C2N1 3H31-7-1S [0,2,0,0,0,0|2,0,0]=4 149 B14R2.642 CC1=C(C(F)F)C2=CC=CC=C2N1 3H31-3-4N [0,2,0,0,0,0|1,0,0]=3 150 B14R2.642 FC(F)C1=C(Br)NC2=CC=CC=C21 3H31-B-59 [0,2,0,0,0,0|2,0,0]=4 151 B14R2.4217 CC1=CC2=NC(C)=C(CO)N2C=C1 4H01-1-6B [0,2,0,0,0,0|2,0,0]=4 152 B14R2.1815 CNC1=CC2=NN(C)C(C)=C2C=C1 3H31-1-B0 [0,2,0,0,0,0|2,0,0]=4 153 B12R2.24 O=C1NCC2=CC=CC=C2O1 4H56-1-06F [0,0,1,1,0,0|2,0,0]=4 154 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 4636-1-Z8 [0,0,1,0,0,1|2,0,0]=4 155 B14R2.287 CC1=NNC(=O)C2=C(C=CC=C2)O1 4H48-1-02J [0,0,0,0,0,2|1,0,0]=3