0 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CNC(C)C1=NC=NC=C1 4102730 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 BrCCC1=NC=CC=C1 4028495 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 BrCCC1=NC=CC=C1 4090022 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 4031581 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.12 CCC(NC)C1=CC=CC=C1 4088018 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.12 CCC(NC)C1=CC=CC=C1 6871471 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.12 CCC(NC)C1=CC=CN=C1 4026590 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.12 CCC(NC)C1=NC=CC=C1 4025878 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.12 O=CC(C=O)C1=CC=CC=N1 4034743 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.12 O=CC(C=O)C1=CC=NC=N1 4034744 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.12 O=CC(C=O)C1=CN=CC=N1 4034745 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.16 CC(N=C=O)C1=CC=CC=C1 4040282 [0,1,0,0,0,0|0,0,1]=2 29 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.16 CN(CCN)C1=CC=CC=C1 4027439 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,1,0,0,0,0|2,0,1]=4 54 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,0,0,1,0,0|1,0,2]=4 56 B11R2.40 NC1(C2=CC=CC=C2)CC1 4087975 [0,0,0,1,0,0|2,0,1]=4 57 B11R2.40 NC1(C2=CC=CC=C2)CC1 4102430 [0,0,0,1,0,0|2,0,1]=4 58 B11R2.239 C1=CC(C2CNC2)=CC=N1 4038720 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.11 CNC(C)C1=CC=CS1 4088898 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.11 CNC(C)C1=CC=CS1 4100659 [0,0,0,0,1,0|3,0,0]=4 61 B11R1.40 CC(CN)OC1=CN=CC=C1 4004846 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.2 BrCC1=CN=CC=C1 4034752 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.61 CC1=CC=CN=C1C(C)N 4027822 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [1,1,0,0,0,0|0,0,1]=3 76 B10R1.113 CC(C)C1=CC=CC(Br)=N1 4037569 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.113 CC(C)C1=CC=CC(O)=N1 4039550 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.113 CC(O)C1=NC(Br)=CC=C1 4032641 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.113 CC1=CC(C(C)N)=NC=C1 4033261 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.113 CC1=CC=CC(C(C)N)=N1 4034468 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.17 ICCOC1=CC=CC=C1 5101649 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.17 NCCSC1=CC=CC=C1 4087772 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.23 CC(C(=O)O)N1C=CC=C1 4028103 [0,1,0,0,1,0|1,0,0]=3 107 B10R1.23 CC(C(=O)O)N1C=CC=N1 4401706 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.23 CC(C(=O)O)N1C=CN=C1 4401707 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 4044205 [0,1,0,0,1,0|1,0,0]=3 110 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 4027273 [0,1,0,0,0,1|1,0,1]=4 111 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,1,0,0,0,1|0,0,0]=2 112 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O 4400386 [0,1,0,0,0,1|1,0,0]=3 113 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4015994 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4090580 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.43 CN(CC1=CC=CC=C1)C(N)=S 4009975 [0,1,0,0,0,1|1,1,0]=4 116 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,1,0,0,0,1|1,0,1]=4 117 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [0,1,0,0,0,1|1,0,1]=4 118 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [0,1,0,0,0,1|1,0,1]=4 119 B12R1.118 CCC(CN)CC1=CC=CC=C1 4033135 [0,1,0,0,0,1|1,0,1]=4 120 B12R1.118 CCC(CN)CC1=CC=CC=C1 4110768 [0,1,0,0,0,1|1,0,1]=4 121 B12R1.371 CCC(C)OC1=C(N)C=CC=C1 4028507 [0,1,0,0,0,1|1,0,1]=4 122 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 4023843 [0,2,0,0,0,0|0,0,0]=2 123 B12R1.12 CC1=CC=C(C(C=O)C=O)C=C1 4034741 [0,2,0,0,0,0|0,0,1]=3 124 B12R1.12 CCC(NC)C1=CC=C(Br)C=C1 4024352 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.16 O=C\C=C(\Cl)C1=CC=C(Br)C=C1 4300139 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.30 CCCNC(C)C1=CC=CC=C1 4088824 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.30 CCCNC(C)C1=CC=CC=C1 6594188 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4002596 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4090863 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4026827 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 5304453 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.225 CC(=O)N(C)C1=CC(N)=CC=C1 4032077 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 4043672 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.435 CNC(C)C1=CC(OC)=CC=C1 4004540 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.77 CNC(C)C1=C(OC)C=CC=C1 4004539 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.77 CNC(C)C1=C(OC)C=CC=C1 4090346 [0,2,0,0,0,0|2,0,0]=4 139 B12R2.32 O=CC1=CC2=CC=CC=C2N1 4130840 [0,0,0,1,0,1|0,0,2]=4 140 B12R2.32 O=CC1=CC2=CC=CC=C2S1 4300821 [0,0,0,1,0,1|0,0,2]=4 141 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 4300303 [0,0,0,1,0,1|1,0,1]=4 142 B12R2.32 OCC1CC2=CC=CC=C2O1 4086574 [0,0,0,1,0,1|0,0,2]=4 143 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 4040319 [0,0,0,1,0,1|1,0,1]=4 144 B12R2.48 NCC1(C2=CC=CC=C2)CC1 4108272 [0,1,0,1,0,0|1,0,1]=4 145 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,1,0,1,0,0|0,0,0]=2 146 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,1,0,1,0,0|0,0,0]=2 147 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 4026950 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 4026945 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.612 C1=NC2=C(C=CC(N)=C2)N1C 4010985 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 9072049 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 5807703 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 4019058 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.132 CN1C=NC2=CC=C(N)C=C21 5665234 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.196 CN1C=CC2=C1C=CC=C2N 4031789 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.7 CC(N)C1=CC=CS1 4100658 [1,0,0,0,1,0|2,0,0]=4 156 B8R1.7 CC(N)C1=CSC=C1 4100800 [1,0,0,0,1,0|2,0,0]=4