0 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 4032345 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 4025310 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 4025320 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.3 COC1=CC=C(B(O)O)C=C1 4200599 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4016813 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 COC1=NN=C(C(=O)O)C=C1 4000181 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.3 CSC1=CC=C(B(O)O)C=C1 4201812 [0,0,0,0,0,0|2,1,1]=4 11 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4019315 [0,0,0,0,0,0|2,1,0]=3 12 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 4016801 [0,0,0,0,0,0|3,1,0]=4 13 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 4043316 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4085301 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.3 CCC1=NC=C(C=O)C=N1 4014572 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.3 COC1=NC=C(C=O)C=N1 4016812 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.3 CSC1=NC=C(C=O)C=N1 4010269 [1,0,0,0,0,0|2,1,0]=4 20 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4025309 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4087896 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,1,0,0,0,0|1,0,1]=3 30 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,1,0,0,0,0|1,0,1]=3 33 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 4033046 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4034036 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.5 CNC(=O)C1=CC=C(CO)C=C1 4032667 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 4033286 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4013953 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O 4031419 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4043208 [0,1,0,0,0,0|1,0,1]=3 42 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4088080 [0,1,0,0,0,0|1,0,1]=3 43 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 4003303 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 4004113 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 4032179 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4037983 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br 4085657 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br 9019331 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4003840 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4090721 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.113 CCOC1=CC=C([C@@H](C)N)C=C1 4105790 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 4104871 [0,1,0,0,0,0|1,0,1]=3 55 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 4013893 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4043756 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 4027793 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.256 CC(C)C1=CC=C([C@@H](C)N)C=C1 4099628 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 4096619 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 4016049 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 4200597 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.31 CC(=O)C1=CC(CCl)=CS1 4003189 [0,0,0,0,1,0|3,0,0]=4 63 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [0,0,0,0,1,0|3,0,0]=4 64 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 5301234 [0,0,0,0,0,1|2,0,0]=3 65 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4012623 [0,0,0,0,0,1|2,0,0]=3 66 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 CC1=NC=C(C=O)C=N1 4014571 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.83 CCC1=CC=C(N=C=O)C=C1 3002639 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.83 CCOC1=CC=C(C=O)C=N1 4031638 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.83 COC1=CC=C(CNN)C=C1 4014995 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.83 COCC1=NC=C(C=O)C=N1 4026767 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.279 COC1=CC=C(C=O)C=C1Cl 6945816 [1,1,0,0,0,0|0,0,0]=2 75 B11R1.279 COC1=CC=C(C=O)C=C1F 4303013 [1,1,0,0,0,0|0,0,0]=2 76 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [1,1,0,0,0,0|0,0,0]=2 77 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 4030757 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 4003760 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4033478 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.21 CC1=C(N)C=C(N(C)C)C=C1 4087931 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.21 CC1=C(N)C=CC(C(N)=O)=C1 4034074 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br 7056783 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.21 CC1=CC=C([C@@H](C)N)C=C1C 4099868 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.21 CC1=CC=C([C@H](C)N)C=C1C 4091453 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.21 CN1C=CC(C(=O)O)=CC1=O 4030047 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 4033986 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 4001614 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.21 O=C(O)C1=CC(O)=C(O)C=N1 4001616 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 5348174 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 4031601 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 4002882 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4400687 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4027551 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.166 CC1=CC(N)=C(N(C)C)C=C1 4091007 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.166 NC(=O)C1=C(Cl)C=C(N)C=C1 4027619 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N 4033628 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 4041390 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.124 CCOC1=CC=C(C(=O)O)O1 7113881 [0,1,0,0,1,0|2,0,0]=4 105 B11R1.124 COCC1=CC=C(C(=O)O)O1 4401976 [0,1,0,0,1,0|2,0,0]=4 106 B11R1.124 COCC1=CC=C(C(=O)O)S1 4004231 [0,1,0,0,1,0|2,0,0]=4 107 B13R1.5 CCC1=CC=C(NC(=O)CCl)C=C1 3015637 [0,1,0,0,0,1|1,0,0]=3 108 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 3014950 [0,1,0,0,0,1|1,0,0]=3 109 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 4045141 [0,1,0,0,0,1|1,0,0]=3 110 B13R1.5 COC1=CC=C(NC(=O)CBr)C=C1 4023667 [0,1,0,0,0,1|0,0,0]=2 111 B13R1.142 CC(=O)NC1=CC=C(CCO)C=C1 5529572 [0,1,0,0,0,1|1,0,0]=3 112 B13R1.653 COC1=CC=C(NC(C)=O)C(N)=C1 4027800 [0,1,0,0,0,1|0,0,0]=2 113 B13R1.39 CCC(NC)C1=CC=C(OC)C=C1 6789929 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.139 CCCC1=CC=C(C(=O)CC)C=C1 3000307 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 6874764 [0,2,0,0,0,0|0,0,1]=3 116 B13R1.139 CCOC1=CC=C(C(=O)CC)C=C1 3001481 [0,2,0,0,0,0|0,0,0]=2 117 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 4088149 [0,2,0,0,0,0|1,0,1]=4 118 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 5580132 [0,2,0,0,0,0|1,0,1]=4 119 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 4027328 [0,2,0,0,0,0|1,0,1]=4 120 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 4090484 [0,2,0,0,0,0|1,0,1]=4 121 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 5107372 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.537 CC(C)C1=CC=C(C(=O)NN)C=C1 3014968 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.537 CCC(=O)C1=CC=C(C(C)C)C=C1 3000308 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.537 CCC(C)C1=CC=C(C(C)=O)C=C1 3018452 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 3001657 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.3088 CNC(=O)C1=CC(Br)=C(OC)C=C1 4023691 [0,2,0,0,0,0|0,0,0]=2 127 B13R1.3088 CNC(=O)C1=CC=C(OC)C(N)=C1 4033066 [0,2,0,0,0,0|0,0,0]=2 128 B13R1.3088 COC1=CC=C(C(=O)NN)C=C1Br 4024090 [0,2,0,0,0,0|1,0,0]=3 129 B13R1.38 COC1=C(Cl)C=C(S(=O)(=O)Cl)C=C1 4032260 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.38 COC1=C(F)C=C(S(=O)(=O)Cl)C=C1 4026924 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.38 COC1=CC=C(S(=O)(=O)Cl)C=C1Br 4040623 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.140 CCOC1=CC=C(C(C)(C)N)C=C1 4013951 [0,2,0,0,0,0|1,0,1]=4 133 B13R1.140 CCOC1=CC=C(S(=O)(=O)Cl)C=C1 4011788 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.338 CC(=O)C1=CC=C(S(=O)(=O)Cl)C=C1 4001661 [0,2,0,0,0,0|1,1,0]=4 135 B13R1.338 CC(N)C1=CC=C(S(C)(=O)=O)C=C1 4032337 [0,2,0,0,0,0|2,0,0]=4 136 B13R1.144 CCOC1=C(F)C=C(C(C)N)C=C1 4028976 [0,2,0,0,0,0|1,0,1]=4 137 B13R1.144 CCOC1=C(N)C=C(C(C)=O)C=C1 4033184 [0,2,0,0,0,0|0,0,0]=2 138 B13R1.144 CCOC1=CC=C(C(=O)O)C=C1Br 5760111 [0,2,0,0,0,0|1,0,0]=3 139 B13R1.3380 COC1=C(Cl)C=C(C(=O)O)C=C1Cl 6628384 [0,2,0,0,0,0|1,0,0]=3 140 B13R1.74 C=CCNC1=CC=C(C(=O)O)C=C1 5750073 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.74 C=CCOC1=CC=C(C(C)=O)C=C1 3018392 [0,2,0,0,0,0|0,0,0]=2 142 B13R1.74 CC(C)C1=CC=C(OCCN)C=C1 4015031 [0,2,0,0,0,0|1,0,1]=4 143 B13R1.74 CCCNC1=CC=C(C(=O)O)C=C1 5343078 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.74 CCCOC1=CC=C(C(C)N)C=C1 4027043 [0,2,0,0,0,0|1,0,1]=4 145 B13R1.74 CCCOC1=CC=C(C(C)N)C=C1 4088973 [0,2,0,0,0,0|1,0,1]=4 146 B13R1.74 CCNCC1=CC=C(C(=O)O)C=C1 4028090 [0,2,0,0,0,0|2,0,0]=4 147 B13R1.74 CCNCC1=CC=C(C(=O)O)C=C1 4089195 [0,2,0,0,0,0|2,0,0]=4 148 B13R1.74 COCOC1=CC=C(C(=O)O)C=C1 4045068 [0,2,0,0,0,0|1,0,0]=3 149 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 4036345 [0,0,0,1,0,1|1,1,0]=4 150 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 4028286 [0,1,0,1,0,0|1,0,0]=3 151 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 4026804 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.21 N1C(C=O)=CC=C1CC 4043976 [1,0,0,0,1,0|2,0,0]=4 153 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [1,0,0,0,1,0|1,0,0]=3 154 B9R1.35 CC(=O)C1=CN(C)N=C1 4034761 [1,0,0,0,1,0|2,0,0]=4 155 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [1,0,0,0,1,0|2,0,0]=4 156 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [1,0,0,0,0,1|1,0,0]=3 157 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [1,0,0,0,0,1|2,0,0]=4 158 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [1,0,0,0,0,1|2,0,0]=4 159 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4088790 [0,0,0,0,1,1|2,0,0]=4 160 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 5931045 [0,0,0,0,0,2|1,0,0]=3 161 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 4014221 [0,0,0,0,0,2|1,0,1]=4 162 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 4090497 [0,0,0,0,0,2|1,0,1]=4 163 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 4013692 [0,0,0,0,0,2|2,0,0]=4 164 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 4091026 [0,0,0,0,0,2|2,0,0]=4