0 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.3 CCC1=CN=C(CO)C=C1 4011741 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.3 COC1=NC=C(C=O)C=N1 4016812 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.1 C#CC1=CC=C(C)C=N1 4035578 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.1 C#CC1=CC=C(C)N=C1 4035058 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.1 CC1=CN=C(CO)C=N1 4037601 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 CC1=NC=C(CCl)N=C1 4081395 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 CCC1=CN=C(O)N=C1 4044733 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 COC1=NN=C(Br)C=C1 4040879 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 4032345 [0,1,0,0,0,0|1,0,2]=4 13 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4036033 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.3 COC1=CC=C(B(O)O)C=C1 4200599 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4016813 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.3 COC1=NN=C(C(=O)O)C=C1 4000181 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.3 CSC1=CC=C(B(O)O)C=C1 4201812 [0,1,0,0,0,0|1,1,0]=3 22 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4019315 [0,1,0,0,0,0|1,1,1]=4 23 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 3200965 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4085301 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.3 OCC1=CC=C(B(O)O)C=C1 4108321 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.83 CCC1=CC=C(CNN)C=C1 4015024 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.83 CCC1=CC=C(N=C=O)C=C1 3002639 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.83 CCC1=CN=C(CNC)C=C1 4011746 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.83 CCOC1=CC=C(C=O)C=N1 4031638 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.83 COC1=CC=C(CNN)C=C1 4014995 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.279 COC1=C(O)C=C(CO)N=C1 4037173 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.279 COC1=CC=C(C=O)C=C1Cl 6945816 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.279 COC1=CC=C(C=O)C=C1F 4303013 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.279 COC1=COC(CCl)=CC1=O 4037388 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.21 CCC1=NC(CO)=CS1 4028593 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.21 CCC1=NOC(CO)=C1 4012491 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.21 CCN1C=C(CO)C=N1 4036385 [0,0,0,0,1,0|3,0,0]=4 41 B8R1.2 BrCC1=CN=CC=C1 4034752 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.3 CC1=CN=C(O)N=C1 4044366 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.3 OC1=CC=C(O)N=C1 4030644 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4089129 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4201816 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [1,1,0,0,0,0|0,0,2]=4 62 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.25 COC1=C(Br)C=C(C)N=C1 4056264 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.25 COC1=C(Br)N=C(C)C=C1 4030251 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.176 CC1=C(C)N=CC(CN)=C1 4035699 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.176 N#CC1=CC=C(O)C(N)=C1 4030547 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [1,1,0,0,0,0|0,0,2]=4 75 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 4033046 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4034036 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.5 CNC(=O)C1=CC=C(CO)C=C1 4032667 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4013953 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4043208 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4088080 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 4003303 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 4004113 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 4032179 [0,2,0,0,0,0|0,0,2]=4 91 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4037983 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br 4085657 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br 9019331 [0,2,0,0,0,0|0,0,2]=4 95 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4003840 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4090721 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.113 CCOC1=CC=C([C@@H](C)N)C=C1 4105790 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 4104871 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 4013893 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4043756 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 4027793 [0,2,0,0,0,0|0,0,1]=3 103 B12R1.256 CC(C)C1=CC=C([C@@H](C)N)C=C1 4099628 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 4096619 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.452 COC1=NC(C)=C(B(O)O)C=C1 4095035 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.452 COC1=NC=C(B(O)O)C(C)=C1 4098871 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 3002150 [0,2,0,0,0,0|0,0,2]=4 108 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 5301234 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4014715 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4012623 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.71 C#CCOC1=CC=C(C=O)C=C1 4015099 [0,2,0,0,0,0|0,0,2]=4 112 B12R1.71 CCC1=CC=C(OCCN)C=C1 4033258 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.71 CCNCC1=CC=C(CC)C=C1 4088360 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.71 CCNCC1=CC=C(CC)C=C1 9071424 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.71 CCNCC1=CC=C(SC)C=C1 4090824 [0,2,0,0,0,0|1,1,0]=4 116 B12R1.71 CCNCC1=CC=C(SC)C=C1 9070832 [0,2,0,0,0,0|1,1,0]=4 117 B12R1.71 COC1=CC=C(CCCN)C=C1 4016880 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.71 COC1=CC=C(CCCN)C=C1 4087878 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.71 COC1=CC=C(OCCCl)C=C1 9071331 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.71 COCOC1=CC=C(C=O)C=C1 4110413 [0,2,0,0,0,0|0,0,2]=4 121 B12R1.71 O=CC1=CC=C(C#CCO)C=C1 4030736 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.114 CCOC1=C(Cl)C=C(C=O)C=C1 4015100 [0,2,0,0,0,0|0,0,2]=4 123 B12R1.114 CCOC1=C(Cl)C=C(CO)C=C1 7265027 [0,2,0,0,0,0|0,0,0]=2 124 B12R1.288 CNCC1=CC(O)=C(OC)C=C1 9070925 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 4004227 [0,2,0,0,0,0|0,0,2]=4 126 B12R2.44 COC1=CC=C2C=CNC2=C1 4036833 [0,1,0,1,0,0|1,0,1]=4 127 B12R2.44 NCC1=CC2=NON=C2C=C1 4002209 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.44 NNC1=CC=C2OCOC2=C1 4003163 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 4027611 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 4028532 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.1 CC1=CC=C(CN)S1 4100660 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.1 CC1=CSC(CO)=N1 4021474 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.1 CC1=CSC(CO)=N1 4089181 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.1 CC1=NC(CO)=CO1 4037087 [1,0,0,0,1,0|2,0,0]=4 135 B8R1.1 CC1=NC(CO)=CS1 4016970 [1,0,0,0,1,0|2,0,0]=4 136 B8R1.1 CC1=NNC(CO)=C1 9071105 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.1 CC1=NOC(CO)=C1 4003172 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.1 CN1C=C(CO)C=N1 4010677 [1,0,0,0,1,0|2,0,0]=4 139 B10R1.172 COC1=CC(CCl)=NC=C1 4016648 [0,0,0,0,1,1|1,0,0]=3 140 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [0,0,0,0,1,1|0,0,2]=4 141 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [0,0,0,0,1,1|1,1,0]=4 142 B10R1.172 NCC1=CC=CC(CO)=C1 4035214 [0,0,0,0,1,1|2,0,0]=4