0 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.5 CNC(=O)C1=CC=C(CCl)C=C1 4033046 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4034036 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.5 CNC(=O)C1=CC=C(CO)C=C1 4032667 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.5 COC(=O)C1=NC=C(C=O)N=C1 4039609 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 4033286 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 4032345 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 4025310 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 4025320 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.3 COC1=CC=C(B(O)O)C=C1 4200599 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4016813 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.3 COC1=NN=C(C(=O)O)C=C1 4000181 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.3 CSC1=CC=C(B(O)O)C=C1 4201812 [1,0,0,0,0,0|1,1,1]=4 22 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4019315 [1,0,0,0,0,0|2,1,0]=4 23 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 4016801 [1,0,0,0,0,0|2,1,0]=4 24 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 4043316 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4085301 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 5348174 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 4031601 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.83 COC1=CC=C(CNN)C=C1 4014995 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.36 CN(C)C(=O)C1=CC=C(CCl)C=C1 4110450 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.36 CN(C)C(=O)C1=CC=C(CN)C=C1 4032301 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.36 CN(C)C(=O)C1=CC=C(CO)C=C1 4033312 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.39 CCC(NC)C1=CC=C(OC)C=C1 6789929 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.139 CCCC1=CC=C(C(=O)CC)C=C1 3000307 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.139 CCOC1=CC=C(C(=O)C=O)C=C1 6874764 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.139 CCOC1=CC=C(C(=O)CC)C=C1 3001481 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 4088149 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 5580132 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 4027328 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 4090484 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 5107372 [0,1,0,0,0,0|2,0,0]=3 47 B13R1.537 CC(C)C1=CC=C(C(=O)NN)C=C1 3014968 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.537 CCC(=O)C1=CC=C(C(C)C)C=C1 3000308 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 3001657 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.3088 CNC(=O)C1=CC(Br)=C(OC)C=C1 4023691 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.3088 CNC(=O)C1=CC=C(OC)C(N)=C1 4033066 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.3088 COC1=CC=C(C(=O)NN)C=C1Br 4024090 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.44 COC(=O)C1=CC=C(CBr)S1 4035563 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.44 COC(=O)C1=CC=C(CN)O1 4016485 [0,0,0,0,1,0|3,0,0]=4 55 B13R1.5 CCC1=CC=C(NC(=O)CCl)C=C1 3015637 [0,0,0,0,0,1|3,0,0]=4 56 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 3014950 [0,0,0,0,0,1|2,0,0]=3 57 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 4045141 [0,0,0,0,0,1|2,0,0]=3 58 B13R1.5 COC1=CC=C(NC(=O)CBr)C=C1 4023667 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.3 COC1=NC=C(C=O)C=N1 4016812 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4025309 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4087896 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [2,0,0,0,0,0|2,0,0]=4 69 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4013953 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O 4031419 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4043208 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4088080 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 4003303 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 4004113 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 4032179 [1,1,0,0,0,0|0,0,0]=2 76 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4037983 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br 4085657 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br 9019331 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4003840 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 4090721 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.113 CCOC1=CC=C([C@@H](C)N)C=C1 4105790 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 4104871 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4043756 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 4027793 [1,1,0,0,0,0|0,0,0]=2 87 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 4016049 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 4200597 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 5353450 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 7114772 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 9071337 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.20 CN(C)C(=O)C1=CC=C(O)C=C1 5649432 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.367 CC1=CC=C(C(=O)CCl)C=C1C 4032725 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.367 CC1=CC=C(C(=O)NN)C=C1C 3014932 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 4303058 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.367 CNC(=O)C1=CC(C)=C(N)C=C1 4028100 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.367 CNC(=O)C1=CC(N)=C(C)C=C1 4027660 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.367 CNC(=O)C1=CC(N)=C(Cl)C=C1 4027253 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.367 CNC(=O)C1=CC(N)=C(F)C=C1 4034187 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4040035 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 4090013 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.1703 CCC(=O)C1=CC=C(C)C=C1C 4303057 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 4028447 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 4029362 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.71 COC1=CC=C(CCCN)C=C1 4016880 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.71 COC1=CC=C(CCCN)C=C1 4087878 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.71 COC1=CC=C(OCCCl)C=C1 9071331 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.288 CNCC1=CC(O)=C(OC)C=C1 9070925 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.608 CCC1=CC(C(=O)OC)=C(N)S1 4142352 [0,1,0,0,1,0|2,0,0]=4 110 B14R1.24 CCOC1=CC=C(CC(=O)NN)C=C1 3014958 [0,1,0,0,0,1|2,0,0]=4 111 B14R1.24 CCOC1=CC=C(NC(=O)CCl)C=C1 3015651 [0,1,0,0,0,1|2,0,0]=4 112 B14R1.954 CCC1=CC=C(NC(=O)CCCl)C=C1 5350963 [0,1,0,0,0,1|2,0,0]=4 113 B14R1.954 CCC1=CC=C(NC(=O)CCN)C=C1 4028003 [0,1,0,0,0,1|2,0,0]=4 114 B14R1.954 CCC1=CC=C(NC(=O)CCN)C=C1 4090155 [0,1,0,0,0,1|2,0,0]=4 115 B14R1.3714 CCC(=O)NC1=CC=C(OC)C=C1N 4026970 [0,1,0,0,0,1|1,0,0]=3 116 B14R1.8 CNC(C(=O)O)C1=CC=C(OC)C=C1 4141581 [0,2,0,0,0,0|1,0,1]=4 117 B14R1.3652 COC1=C(N)C=C(C(=O)N(C)C)C=C1 4032507 [0,2,0,0,0,0|1,0,0]=3 118 B14R1.2334 COC1=CC=C(C(=O)NN)C(OC)=C1 3018466 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.717 CC(C)OC1=CC=C(C(=O)NN)C=C1 3000070 [0,2,0,0,0,0|2,0,0]=4 120 B14R1.717 CCC(=O)C1=CC=C(OC(C)C)C=C1 3001483 [0,2,0,0,0,0|1,0,0]=3 121 B14R1.718 CCC(=O)C1=CC=C(C(C)CC)C=C1 3000312 [0,2,0,0,0,0|2,0,0]=4 122 B14R1.1864 COC(=O)C1=CC(CCl)=C(OC)C=C1 4001622 [0,2,0,0,0,0|0,0,0]=2 123 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 4031120 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.44 COC1=CC=C2C=CNC2=C1 4036833 [1,0,0,1,0,0|2,0,0]=4 125 B14R2.3274 COC1=CC=C2NC(=O)C(N)C2=C1 4011508 [0,0,0,1,0,1|2,0,0]=4 126 B10R1.31 CCC1=CC=C(C(=O)O)S1 4402392 [1,0,0,0,1,0|2,0,0]=4 127 B10R1.14 CCC(=O)C1=CC=C(C)S1 4303052 [1,0,0,0,1,0|2,0,0]=4 128 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 4023670 [1,0,0,0,0,1|2,0,0]=4 129 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 3015627 [1,0,0,0,0,1|2,0,0]=4 130 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 6230715 [1,0,0,0,0,1|2,0,0]=4 131 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 4032694 [1,0,0,0,0,1|2,0,0]=4 132 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 3015278 [1,0,0,0,0,1|2,0,0]=4 133 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 4045071 [1,0,0,0,0,1|2,0,0]=4 134 B12R1.435 COC1=CC(C(=O)NN)=CC=C1 4045138 [0,0,0,0,1,1|2,0,0]=4 135 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 6497670 [0,0,0,0,0,2|2,0,0]=4 136 B14R1.5 COC1=CC=C(CCC(=O)NN)C=C1 3014955 [0,0,0,0,0,2|2,0,0]=4