0 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 OR470122 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 OR350016 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 BICR106 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.16 CC(CCN)C1=CC=CC=C1 OR471278 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.16 CNCC(O)C1=CC=CC=C1 OR13980 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 OR316003 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 OR304057 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 N=C(N)NCC1=CC=CC=C1 OR346281 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 NC(=O)CCC1=CC=CN=C1 OR470611 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 NC(=O)CCC1=CC=NC=C1 OR470612 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.91 NC(=O)CCC1=NC=CC=C1 OR470610 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 NC(=O)COC1=CC=CC=C1 OR29721 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 O=C(Cl)CCC1=CN=CC=C1 OR200165 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 BICR112 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 PC911392 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 OR309422 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 PC10261 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.147 CC(CC(=O)O)C1=CC=CC(O)=C1 OR471133 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.147 NC(CC(=O)O)C1=CC(Cl)=CC=C1 OR307576 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 PC10275 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O OR322847 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.201 NC(CC(=O)O)C1=C(Br)C=CC=C1 OR111400 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl OR309360 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F PC1441 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 OR480209 [0,0,0,1,0,0|2,0,1]=4 25 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 OR322088 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.3201 CC1(C)NC1(C)C2=CC=CC=C2 OR340193 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 OR304085 [0,0,0,0,1,0|1,0,0]=2 28 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 OR304086 [0,0,0,0,1,0|1,0,0]=2 29 B11R1.36 C[C@H](C1=CC=CC=C1)N(C)C OR322173 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 OR471117 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 PC4119 [0,0,0,0,1,0|2,0,0]=3 32 B10R1.15 CN(C=O)C1=CC=CC=C1 OR315726 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.15 COC(=N)C1=CC=CC=C1 OR300905 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 OR471318 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 OR471313 [2,0,0,0,0,0|0,0,0]=2 36 B10R1.15 C\C=C(/F)C1=CC=CC=C1 PC450040 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 PC4175H [1,1,0,0,0,0|2,0,0]=4 38 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 PC5491 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 OR5358 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 OR300672 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.21 CC(=O)\C=C\C1=CC=C(C)C=C1 OR300904 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 PC4150 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 PC3723E [1,1,0,0,0,0|2,0,0]=4 44 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 PC4174G [1,1,0,0,0,0|2,0,0]=4 45 B12R1.27 COC(=O)C#CC1=CC=CC=C1 OR315233 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.27 COC(=O)CCC1=NC=CC=C1 OR470609 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.27 COC(=O)COC1=CC=CC=C1 OR8842 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 OR350234 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.27 O=C(CCl)COC1=CC=CC=C1 OR311224 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 OR303240 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O OR1961 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 OR322015 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.125 CC(=O)SCC1=CC=CC=C1F PC408024 [1,1,0,0,0,0|0,1,0]=3 54 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl OR200130 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.125 O=C(Cl)CCC1=CC=CC=C1F PC1788 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 OR10089 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.125 O=C(O)CCC1=CC=CC=C1F PC0312 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.125 O=C(O)CCC1=CC=CC=C1O OR21513 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 OR110679 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.226 CC(=O)SCC1=CC=CC(F)=C1 PC408025 [1,1,0,0,0,0|0,1,0]=3 61 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 OR300762 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 OR471124 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 PC2030 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 PC200089 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 OR110788 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 OR304083 [0,1,0,0,1,0|1,0,0]=3 67 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 OR304084 [0,1,0,0,1,0|1,0,0]=3 68 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 PC0378 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 PC1547 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 PC1548 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 PC3817A [0,1,0,0,1,0|2,0,0]=4 72 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 OR310335 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.124 NC(C(=O)O)C1=CC=CC=C1Br OR480224 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.124 NC(C(=O)O)C1=CC=CC=C1F PC3964 [0,1,0,0,1,0|2,0,0]=4 75 B12R1.124 O=C(O)C(O)C1=C(F)C=CC=C1 PC10363 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.124 O=C(O)[C@@H](O)C1=CC=CC=C1Cl OR315006 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl OR315005 [0,1,0,0,1,0|2,0,0]=4 78 B12R1.225 CC(=O)C(=O)C1=CC=CC(Cl)=C1 OR450018 [0,1,0,0,1,0|1,0,1]=4 79 B12R1.225 NC(C(=O)O)C1=CC(F)=CC=C1 PC0377 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.225 NC(C(=O)O)C1=CC=CC(Cl)=C1 OR470265 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.253 CC(C)(C(=O)[O-])C1=NC=CC=C1 OR318122 [0,1,0,0,1,0|2,0,0]=4 82 B12R1.253 C[C@@](N)(C(=O)O)C1=CC=CC=C1 BICR107 [0,1,0,0,1,0|1,0,0]=3 83 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 BICR128 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 PC9727 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 PC4296 [0,1,0,0,1,0|2,0,0]=4 86 B14R1.698 CC(CC(=O)O)SC1=CC=C(F)C=C1 PC2189 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 OR471098 [0,1,0,0,0,1|2,0,0]=4 88 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 OR300756 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 OR300757 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 OR350163 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 OR470088 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(Cl)C=C1 OR306027 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(F)C=C1 PC403014 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.694 CC1=CC=C(C(C)(C)CC(=O)O)C=C1 OR306032 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.1019 NCC(CC(=O)O)C1=CC=C(F)C=C1 PC53524 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.1020 CCC(CC(=O)O)C1=CC=CC(O)=C1 OR471135 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.4403 CC(C)(CC(=O)O)C1=CC=CC(Cl)=C1 OR306026 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.4403 CC(C)(CC(=O)O)C1=CC=CC(F)=C1 PC403013 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.4403 CC1=CC(C(C)(C)CC(=O)O)=CC=C1 OR306031 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.5805 CC(C)(CC(=O)O)C1=CC=CC=C1Cl OR306025 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.5805 CC(C)(CC(=O)O)C1=CC=CC=C1F PC403012 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.5805 CC1=CC=CC=C1C(C)(C)CC(=O)O OR306030 [0,2,0,0,0,0|2,0,0]=4 103 B14R1.6455 CC(=O)NC(C(=O)O)C1=CC=CC=C1 OR200032 [0,2,0,0,0,0|1,0,1]=4 104 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 OR307589 [1,0,0,1,0,0|1,0,0]=3 105 B12R2.116 CC1(C2=CC=CC=C2)COC1 OR309092 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 OR315754 [1,0,0,1,0,0|1,0,0]=3 107 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 OR451142 [1,0,0,1,0,0|1,0,0]=3 108 B12R2.18 CC1=CC2=C(C=CC=C2)N1C OR10168 [0,0,0,1,1,0|2,0,0]=4 109 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 PC31748 [0,0,0,1,1,0|1,1,0]=4 110 B12R2.18 CC1C(=O)NC2=NC=CC=C21 OR317323 [0,0,0,1,1,0|2,0,0]=4 111 B12R2.18 CN1C(=O)CC2=CC=CN=C21 OR317337 [0,0,0,1,1,0|2,0,0]=4 112 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 OR346305 [0,0,0,1,0,1|1,0,1]=4 113 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 OR471184 [0,0,0,1,0,1|1,0,0]=3 114 B14R2.25733 CC(=O)C1=CN(C)C2=C1C=CC=C2 OR471162 [0,0,0,1,0,1|2,0,0]=4 115 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 OR315293 [0,0,0,1,0,1|2,0,0]=4 116 B14R2.642 CC(=O)N1C2=CC=CC=C2CC1C OR303913 [0,0,0,1,0,1|1,0,0]=3 117 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O OR9041 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 OR311192 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 PC201343 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 OR471331 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.4476 O=C(O)[C@@H]1CC1C2=CC(Br)=CC=C2 OR311161 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 OR350211 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.18 CC(=O)CC1=CC=CN=C1 OR302610 [1,0,0,0,1,0|1,0,0]=3 124 B10R1.18 CC(=O)CC1=CC=NC=C1 OR9025 [1,0,0,0,1,0|1,0,0]=3 125 B10R1.18 CC(C)OC1=CC=CC=C1 OR25710 [1,0,0,0,1,0|1,0,1]=4 126 B10R1.18 C[C@H](O)CC1=CC=CC=C1 OR304049 [1,0,0,0,1,0|0,0,2]=4 127 B10R1.18 NC(=O)NC1=CC=CC=C1 OR5160 [1,0,0,0,1,0|2,0,0]=4 128 B10R1.18 NC(=S)CC1=CC=CC=C1 OR346049 [1,0,0,0,1,0|1,1,0]=4 129 B10R1.18 O=C(O)CC1=CC=NC=C1 OR350324 [1,0,0,0,1,0|2,0,0]=4 130 B12R1.252 CC(=O)NCCC1=CC=CC=C1 OR27721 [1,0,0,0,0,1|1,0,0]=3 131 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 OR346252 [1,0,0,0,0,1|1,0,1]=4 132 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 OR200139 [1,0,0,0,0,1|2,0,0]=4 133 B12R1.252 O=C(O)CCSC1=CC=CC=C1 OR2272 [1,0,0,0,0,1|2,0,0]=4 134 B12R1.252 O=C(O)COCC1=CC=NC=C1 OR303876 [1,0,0,0,0,1|2,0,0]=4