0 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4034627 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4089751 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.12 CC1=CC=C(C(C=O)C=O)C=C1 4034741 [0,1,0,0,0,0|0,0,1]=2 42 B12R1.12 CCC(NC)C1=CC=C(Br)C=C1 4024352 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.16 O=C\C=C(\Cl)C1=CC=C(Br)C=C1 4300139 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 5304453 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4032465 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088468 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.367 CC[C@@H](N)C1=CC=C(C)C(C)=C1 4093962 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.367 CC[C@H](N)C1=CC=C(C)C(C)=C1 4092259 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4019831 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4088582 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.1703 CC[C@@H](N)C1=CC=C(C)C=C1C 4103962 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.1703 CC[C@H](N)C1=CC=C(C)C=C1C 4092139 [0,1,0,0,0,0|2,0,1]=4 53 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4032241 [0,0,0,1,0,0|2,0,1]=4 54 B12R2.612 C1=NC2=C(C=CC(N)=C2)N1C 4010985 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 9072049 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 5807703 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 4019058 [0,0,0,1,0,0|3,0,0]=4 58 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [0,0,0,0,0,1|2,0,1]=4 59 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.1 CC1=NC=C(C=O)C=N1 4014571 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.1 C=CCOC1=CC=C(N)C=C1 4023587 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.1 CC1=CC=C(CCCN)C=C1 4016876 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 4041118 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.1 CC1=CC=C(SCCN)C=C1 6873887 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 4032466 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.83 CCC1=CC=C(CNN)C=C1 4015024 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.83 CCC1=CC=C(N=C=O)C=C1 3002639 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.83 COC1=CC=C(CNN)C=C1 4014995 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4085301 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [1,1,0,0,0,0|0,0,1]=3 82 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [1,1,0,0,0,0|0,0,1]=3 83 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 4030757 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 4003760 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4033478 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4087931 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br 7056783 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.21 CC1=CC=C([C@@H](C)N)C=C1C 4099868 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.21 CC1=CC=C([C@H](C)N)C=C1C 4091453 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4031175 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4027551 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4091007 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 4103619 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 4107521 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 4031581 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.12 CCC(NC)C1=CC=CC=C1 4088018 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.12 CCC(NC)C1=CC=CC=C1 6871471 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.12 O=CC(C=O)C1=CC=CC=N1 4034743 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.16 CC(N=C=O)C1=CC=CC=C1 4040282 [1,1,0,0,0,0|0,0,1]=3 101 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.314 CC1=CN(C(C)C(=O)O)N=C1 4030213 [0,1,0,0,1,0|2,0,0]=4 105 B11R1.314 CC1=NN(C(C)C(=O)O)C=C1 4031016 [0,1,0,0,1,0|2,0,0]=4 106 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(N)=O 7778925 [0,1,0,0,0,1|1,0,0]=3 107 B13R1.133 CC1=CC=C(CN(C)C(=N)N)C=C1 4015997 [0,1,0,0,0,1|2,0,0]=4 108 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,1,0,0,0,1|1,0,1]=4 109 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 4002685 [0,1,0,0,0,1|0,0,0]=2 110 B13R1.39 CCC(NC)C1=CC=C(OC)C=C1 6789929 [0,2,0,0,0,0|1,0,1]=4 111 B13R1.39 COC(OC)C1=CC=C(CN)C=C1 4110511 [0,2,0,0,0,0|2,0,0]=4 112 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 6874764 [0,2,0,0,0,0|1,0,1]=4 113 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 4088149 [0,2,0,0,0,0|2,0,0]=4 114 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 5580132 [0,2,0,0,0,0|2,0,0]=4 115 B13R1.537 CCC(C)C1=CC=C(C(C)=O)C=C1 3018452 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.522 CC(C)(C(N)=O)C1=CC=C(Br)C=C1 4031235 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.706 CC1=CC=C(C(CN)N(C)C)C=C1 4026941 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.132 CC(=O)NC(C)C1=CC=C(Br)C=C1 5587422 [0,2,0,0,0,0|1,0,0]=3 119 B13R2.1069 CC1=CC=C(OC2CNC2)C=C1 4026702 [0,0,0,1,0,1|1,0,1]=4 120 B13R2.1069 CC1=CC=C(OC2CNC2)C=C1 4090861 [0,0,0,1,0,1|1,0,1]=4 121 B13R2.662 CC1=CC=C2C(C=O)=CNC2=C1 4029672 [0,1,0,1,0,0|0,0,2]=4 122 B13R2.5187 CC1=CC=C2C(=C1)C(I)=NN2C 4027064 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.5190 CN1C(=O)OC2=CC(N)=CC=C21 4036152 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.5190 NC1C(=O)NC2=CC(Cl)=CC=C21 4105551 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.5190 NC1C(=O)NC2=CC(F)=CC=C21 4011507 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [1,0,0,0,1,0|1,0,1]=4 127 B13R1.14 CCC(C)NCC1=CC=C(C)C=C1 4024880 [0,0,0,0,0,2|1,0,1]=4 128 B13R1.14 CCC(C)NCC1=CC=C(C)C=C1 4089475 [0,0,0,0,0,2|1,0,1]=4