0 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 5301234 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4014715 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4012623 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 4032466 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.83 CCC1=CC=C(CNN)C=C1 4015024 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.83 CCC1=CC=C(N=C=O)C=C1 3002639 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.83 CCC1=CN=C(CNC)C=C1 4011746 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.83 COC1=CC=C(CNN)C=C1 4014995 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.5 CCC1=CC=C(NC(=O)CCl)C=C1 3015637 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 3014950 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 4045141 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.5 COC1=CC=C(NC(=O)CBr)C=C1 4023667 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.142 CC(=O)NC1=CC=C(CCO)C=C1 5529572 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.142 CNCC1=CC=C(CN(C)C)C=C1 4014718 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.142 CNCC1=CC=C(CN(C)C)C=C1 4089616 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.653 COC1=CC=C(NC(C)=O)C(N)=C1 4027800 [0,1,0,0,0,0|1,0,0]=2 21 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 4036345 [0,0,0,1,0,0|2,1,0]=4 22 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 4032345 [0,0,0,0,1,0|2,0,1]=4 23 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4003786 [0,0,0,0,1,0|2,0,1]=4 24 B11R1.3 CCC1=CC=C(C(C)N)C=C1 4087794 [0,0,0,0,1,0|2,0,1]=4 25 B11R1.3 CCC1=CC=C([C@@H](C)N)C=C1 4106468 [0,0,0,0,1,0|2,0,1]=4 26 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 4092777 [0,0,0,0,1,0|2,0,1]=4 27 B11R1.3 COC1=CC=C(B(O)O)C=C1 4200599 [0,0,0,0,1,0|2,0,1]=4 28 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4016813 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.3 COC1=NN=C(C(=O)O)C=C1 4000181 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4019315 [0,0,0,0,1,0|2,1,0]=4 31 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 4043316 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4085301 [0,0,0,0,1,0|3,0,0]=4 34 B13R1.3 C=C(C)COC1=CC=C(C=O)C=C1 9071705 [0,0,0,0,0,1|3,0,0]=4 35 B13R1.3 C=C(C)COC1=CC=C(CO)C=C1 9070427 [0,0,0,0,0,1|3,0,0]=4 36 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 5931045 [0,0,0,0,0,1|1,0,1]=3 37 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 4014221 [0,0,0,0,0,1|1,0,1]=3 38 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 4090497 [0,0,0,0,0,1|1,0,1]=3 39 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 4013692 [0,0,0,0,0,1|2,0,0]=3 40 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 4091026 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.3 COC1=NC=C(C=O)C=N1 4016812 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.19 CC(=O)NC1=CC(N)=C(F)C=C1 4029877 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.19 CC(=O)NC1=CC=C(C)C(N)=C1 4027038 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.19 CC(=O)NC1=CC=C(N)C(C)=C1 4028746 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C 4030379 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 5304453 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 4023670 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 3015627 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.49 CC1=CC=C(NC(=O)CCl)N=C1 7248980 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 6230715 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 4032694 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 3014953 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 3014952 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 3015278 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 4045071 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 4023666 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 4035478 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.233 CC(=O)NC1=C(Br)C=C(Cl)C=C1 4029939 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.233 CC(=O)NC1=C(F)C=C(N)C=C1 4033744 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.233 CC(=O)NC1=C(F)C=C(N)C=C1 4088229 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.233 CC(=O)NC1=C(N)C=C(Cl)C=C1 4025073 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 4032446 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N 4028039 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [1,1,0,0,0,0|0,0,1]=3 72 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [1,1,0,0,0,0|0,0,1]=3 73 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [1,1,0,0,0,0|0,0,1]=3 74 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [1,1,0,0,0,0|0,0,1]=3 75 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4004541 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 4089152 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.71 CCNCC1=CC=C(CC)C=C1 4088360 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.71 CCNCC1=CC=C(CC)C=C1 9071424 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.71 CCNCC1=CC=C(SC)C=C1 4090824 [1,1,0,0,0,0|0,1,1]=4 80 B12R1.71 CCNCC1=CC=C(SC)C=C1 9070832 [1,1,0,0,0,0|0,1,1]=4 81 B12R1.71 COC1=CC=C(CCCN)C=C1 4016880 [1,1,0,0,0,0|0,0,1]=3 82 B12R1.71 COC1=CC=C(CCCN)C=C1 4087878 [1,1,0,0,0,0|0,0,1]=3 83 B12R1.71 COC1=CC=C(OCCCl)C=C1 9071331 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.288 CNCC1=CC(O)=C(OC)C=C1 9070925 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4013953 [0,1,0,0,1,0|1,0,1]=4 86 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4043208 [0,1,0,0,1,0|1,0,1]=4 87 B12R1.48 COC1=C(C)C=C(C(C)N)C=C1 4088080 [0,1,0,0,1,0|1,0,1]=4 88 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 4004113 [0,1,0,0,1,0|1,0,1]=4 89 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 4032179 [0,1,0,0,1,0|0,0,0]=2 90 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4037983 [0,1,0,0,1,0|2,0,0]=4 91 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br 4085657 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl 4048987 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.48 COC1=CC=C(C(N)=O)C=C1Br 9019331 [0,1,0,0,1,0|1,0,0]=3 94 B12R1.48 COC1=COC(C(=O)O)=CC1=O 4037490 [0,1,0,0,1,0|2,0,0]=4 95 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 4009536 [0,1,0,0,0,1|2,0,0]=4 96 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 4006284 [0,1,0,0,0,1|1,1,0]=4 97 B14R1.3 CCC1=CC=C(OC(C)C(=O)O)C=C1 3013846 [0,1,0,0,0,1|2,0,0]=4 98 B14R1.3 COC1=CC=C(CN(C)C(=N)N)C=C1 4016007 [0,1,0,0,0,1|2,0,0]=4 99 B14R1.5 CCC(C)NCC1=CC=C(OC)C=C1 4022331 [0,1,0,0,0,1|1,0,1]=4 100 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 6497670 [0,1,0,0,0,1|2,0,0]=4 101 B14R1.5 COC1=CC=C(CCC(=O)NN)C=C1 3014955 [0,1,0,0,0,1|1,0,0]=3 102 B14R1.142 CCOC1=CC=C(OCC(=N)N)C=C1 4014679 [0,1,0,0,0,1|2,0,0]=4 103 B14R1.142 CCOC1=CC=C(OCC(=O)O)C=C1 6792402 [0,1,0,0,0,1|1,0,0]=3 104 B14R1.419 CC(=O)C1=CC=C(OCC(N)=O)C=C1 3018450 [0,1,0,0,0,1|2,0,0]=4 105 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 4013887 [0,1,0,0,0,1|2,0,0]=4 106 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 4089091 [0,1,0,0,0,1|2,0,0]=4 107 B14R1.3653 COC1=C(C)C=C(\C=C\C(=O)O)C=C1 6072393 [0,1,0,0,0,1|1,0,1]=4 108 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 4110555 [0,1,0,0,0,1|1,0,0]=3 109 B14R1.2311 COC1=CC=C(NS(C)(=O)=O)C(N)=C1 4032399 [0,2,0,0,0,0|2,0,0]=4 110 B14R1.24 CCOC1=CC=C(CC(=O)NN)C=C1 3014958 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.24 CCOC1=CC=C(NC(=O)CCl)C=C1 3015651 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.954 CCC1=CC=C(NC(=O)CCCl)C=C1 5350963 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.954 CCC1=CC=C(NC(=O)CCN)C=C1 4028003 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.954 CCC1=CC=C(NC(=O)CCN)C=C1 4090155 [0,2,0,0,0,0|2,0,0]=4 115 B14R1.3714 CCC(=O)NC1=CC=C(OC)C=C1N 4026970 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4012624 [0,2,0,0,0,0|2,0,0]=4 117 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4090941 [0,2,0,0,0,0|2,0,0]=4 118 B14R1.8 CNC(C(=O)O)C1=CC=C(OC)C=C1 4141581 [0,2,0,0,0,0|1,0,0]=3 119 B14R1.8 CNC(C1=CC=C(OC)C=C1)C(C)C 9071091 [0,2,0,0,0,0|1,0,1]=4 120 B14R1.490 CCOC1=CC=C(NC(C)=O)C(N)=C1 5539498 [0,2,0,0,0,0|1,0,0]=3 121 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 4035617 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 5195235 [1,0,0,1,0,0|1,0,1]=4 123 B12R2.606 CC1=NC2=C(C=CC(O)=C2)S1 4034738 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 5940864 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4021865 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 4004197 [1,0,0,1,0,0|2,0,0]=4 127 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 4003733 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.44 COC1=CC=C2C=CNC2=C1 4036833 [1,0,0,1,0,0|1,0,1]=4 129 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 4088387 [0,0,0,1,0,1|1,0,1]=4 130 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 9071322 [0,0,0,1,0,1|1,0,1]=4 131 B14R2.3274 CCC1=CC=C2NC(=O)C(N)C2=C1 4043079 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.3274 COC1=CC=C2NC(=O)C(N)C2=C1 4011508 [0,1,0,1,0,0|1,0,0]=3 133 B14R2.3304 COC1=CC2=C(C=C1)OC(CN)=N2 4027914 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.3304 COC1=CC=C2N=C(CO)NC2=C1 4011040 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.3304 COC1=CC=C2NC(CN)=CC2=C1 4002998 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.3304 COC1=CC=C2NC(CN)=CC2=C1 4088574 [0,1,0,1,0,0|2,0,0]=4 137 B14R2.3304 COC1=CC=C2NC(CN)=NC2=C1 4005004 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.1197 COC1=CC2=C(C=C1N)NC(=O)N2 4028462 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.1815 COC1=CC=C2C(=C1)NC(=O)C2N 4011509 [0,1,0,1,0,0|1,0,0]=3 140 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [1,0,0,0,1,0|1,0,0]=3 141 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,0,0,0,1,0|1,0,1]=4 142 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,0,0,0,1,0|1,0,1]=4 143 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4023586 [1,0,0,0,0,1|2,0,0]=4 144 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4089199 [1,0,0,0,0,1|2,0,0]=4 145 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4035228 [1,0,0,0,0,1|2,0,0]=4 146 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [1,0,0,0,0,1|1,0,1]=4 147 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 4027657 [1,0,0,0,0,1|1,0,1]=4 148 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [1,0,0,0,0,1|1,0,1]=4 149 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [1,0,0,0,0,1|2,0,0]=4 150 B12R1.21 NC(=O)CSC1=CC=C(Br)C=C1 7758268 [1,0,0,0,0,1|2,0,0]=4 151 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 5368059 [1,0,0,0,0,1|2,0,0]=4 152 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4026869 [1,0,0,0,0,1|2,0,0]=4 153 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 4002818 [0,0,0,0,0,2|2,0,0]=4 154 B14R1.4 COC1=CC=C(CCNC(C)C)C=C1 4088907 [0,0,0,0,0,2|1,0,1]=4 155 B14R1.4 COC1=CC=C(CCNC(C)C)C=C1 5535468 [0,0,0,0,0,2|1,0,1]=4 156 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 4003038 [0,0,0,0,0,2|1,0,0]=3