0 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 17346 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 18019 [0,0,0,0,0,0|1,0,1]=2 2 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 23307 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.3 COC1=CC=C(C[C@H](N)B(O)O)C=C1 33653 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.3 COC1=CC=C(C[C@H](N)B(O)O)C=C1 33654 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 13163 [0,0,0,0,0,0|1,0,1]=2 6 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 13160 [0,0,0,0,0,0|3,0,1]=4 7 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 18610 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 8251 [1,0,0,0,0,0|0,0,1]=2 9 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 25637 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 35169 [1,0,0,0,0,0|0,0,1]=2 11 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 8248 [1,0,0,0,0,0|0,0,1]=2 12 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 19218 [1,0,0,0,0,0|1,1,1]=4 13 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 27618 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 8244 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O 13613 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [1,0,0,0,0,0|2,0,1]=4 29 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [1,0,0,0,0,0|1,0,1]=3 31 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] 35571 [1,0,0,0,0,0|1,0,2]=4 32 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [1,0,0,0,0,0|2,0,1]=4 33 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [1,0,0,0,0,0|2,0,1]=4 34 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [1,0,0,0,0,0|2,0,1]=4 38 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [1,0,0,0,0,0|1,0,1]=3 39 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 19256 [1,0,0,0,0,0|1,0,2]=4 40 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 13162 [0,1,0,0,0,0|1,0,1]=3 41 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)O2 34538 [0,0,0,1,0,0|0,0,2]=3 42 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 1703 [0,0,0,1,0,0|1,0,1]=3 43 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 1702 [0,0,0,1,0,0|2,0,0]=3 44 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 34277 [0,0,0,1,0,0|2,0,0]=3 45 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 15953 [0,0,0,0,1,0|0,0,2]=3 46 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 16007 [0,0,0,0,1,0|0,0,2]=3 47 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [2,0,0,0,0,0|0,0,1]=3 49 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [2,0,0,0,0,0|0,0,1]=3 50 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [2,0,0,0,0,0|0,0,1]=3 56 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [2,0,0,0,0,0|0,0,1]=3 57 B12R1.71 COC1=CC=C(CCC=O)C=C1 10913 [2,0,0,0,0,0|0,0,1]=3 58 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [2,0,0,0,0,0|0,0,2]=4 59 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [2,0,0,0,0,0|0,0,0]=2 61 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 10785 [2,0,0,0,0,0|0,1,0]=3 63 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 19712 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 31939 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 16459 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 19630 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [2,0,0,0,0,0|1,0,1]=4 69 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [2,0,0,0,0,0|1,0,1]=4 70 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [2,0,0,0,0,0|1,0,1]=4 72 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [2,0,0,0,0,0|1,0,1]=4 73 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [2,0,0,0,0,0|1,0,1]=4 74 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [2,0,0,0,0,0|0,0,2]=4 75 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [2,0,0,0,0,0|0,0,2]=4 76 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 13902 [1,1,0,0,0,0|0,0,1]=3 77 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 24028 [1,1,0,0,0,0|0,0,1]=3 78 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 30247 [1,1,0,0,0,0|0,0,1]=3 79 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 4349 [1,1,0,0,0,0|0,0,1]=3 80 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 8239 [1,1,0,0,0,0|0,0,1]=3 81 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)O)C=C1 19624 [1,1,0,0,0,0|1,0,1]=4 82 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 8236 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.3653 COC1=C(F)C=C(\C=C\C(=O)O)C=C1 22612 [1,1,0,0,0,0|0,0,1]=3 84 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 8187 [1,1,0,0,0,0|0,0,1]=3 85 B14R1.3653 COc1ccc(\C=C\C(=O)O)cc1Br 31619 [1,1,0,0,0,0|0,0,1]=3 86 B14R1.7 COC(=O)C(Br)C1=CC=C(OC)C=C1 34351 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.3714 COC(=O)CC1=C(Cl)C=C(OC)C=C1 10960 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10889 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10902 [1,1,0,0,0,0|1,0,1]=4 90 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 10891 [1,1,0,0,0,0|1,0,1]=4 91 B14R1.686 CC1=C(C)C=C(CC(N)C(=O)O)C=C1 14840 [1,1,0,0,0,0|1,0,1]=4 92 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O 11980 [1,1,0,0,0,0|1,0,1]=4 93 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 13968 [1,1,0,0,0,0|1,0,1]=4 94 B14R1.686 N[C@H](CC1=CC(O)=C(O)C=C1)C(=O)O 35743 [1,1,0,0,0,0|1,0,1]=4 95 B16R1.1283 CC(=O)OC1=CC=C(C[C@H](N)C(=O)O)C=C1 29021 [0,2,0,0,0,0|1,0,1]=4 96 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 27269 [0,2,0,0,0,0|1,0,1]=4 97 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 16354 [1,0,0,1,0,0|1,0,1]=4 98 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 18169 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.2332 COC1=CC=C2CC(=O)CCC2=C1 13703 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.2332 COC1=CC=C2CC(=O)COC2=C1 18378 [1,0,0,1,0,0|0,0,1]=3 101 B14R2.3274 CCC1=CC=C2NC(=O)C(=O)C2=C1 33529 [1,0,0,1,0,0|2,0,0]=4 102 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 8000 [1,0,0,1,0,0|1,0,0]=3 103 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 32494 [1,0,0,1,0,0|0,0,2]=4 104 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 28967 [1,0,0,1,0,0|0,1,1]=4 105 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 32492 [1,0,0,1,0,0|2,0,0]=4 106 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 28835 [1,0,0,1,0,0|2,0,0]=4 107 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 35763 [1,0,0,1,0,0|0,0,2]=4 108 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 1716 [1,0,0,1,0,0|2,0,0]=4 109 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2N1 13369 [1,0,0,1,0,0|1,0,1]=4 110 B16R2.7476 COC1=CC=C2C=CC(C(=O)O)=CC2=C1 34474 [0,0,0,1,0,1|1,0,1]=4 111 B16R2.3108 COC(=O)[C@@H]1O[C@H]1C2=CC=C(OC)C=C2 12549 [0,1,0,1,0,0|0,0,2]=4 112 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2N1 7251 [0,1,0,1,0,0|1,0,1]=4 113 B16R2.39460 COC1=CC=C2C(=C1)C=C(C(=O)O)N2C 16253 [0,1,0,1,0,0|2,0,0]=4 114 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 12298 [1,0,0,0,1,0|1,0,0]=3 115 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 12129 [1,0,0,0,1,0|0,0,0]=2 116 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 3261 [1,0,0,0,1,0|1,0,1]=4 117 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 3270 [1,0,0,0,1,0|1,0,1]=4 118 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 22350 [1,0,0,0,1,0|1,0,1]=4 119 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 17801 [1,0,0,0,1,0|2,0,0]=4 120 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 12343 [1,0,0,0,1,0|0,1,0]=3 121 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 12160 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 22236 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [1,0,0,0,1,0|2,0,0]=4 124 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [1,0,0,0,1,0|1,0,1]=4 125 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [1,0,0,0,1,0|1,0,1]=4 126 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [1,0,0,0,1,0|1,0,1]=4 127 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 23439 [1,0,0,0,1,0|1,0,0]=3 128 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [1,0,0,0,1,0|0,0,2]=4 129 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 15207 [1,0,0,0,0,1|0,0,1]=3 130 B14R1.4 COC1=CC=C(CCCC(N)=O)C=C1 29039 [1,0,0,0,0,1|1,0,1]=4 131 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 19220 [1,0,0,0,0,1|0,0,1]=3 132 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 19236 [1,0,0,0,0,1|0,1,1]=4 133 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 30152 [1,0,0,0,0,1|1,0,1]=4 134 B14R1.698 Cc1ccc(C[C@@H](N)CC(=O)O)cc1 30064 [1,0,0,0,0,1|1,0,1]=4 135 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(O)cc1 30126 [1,0,0,0,0,1|1,0,1]=4 136 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 18016 [0,0,0,0,1,1|1,0,1]=4 137 B14R1.75 COC1=CC=CC(C[C@H](N)C(=O)O)=C1 18018 [0,0,0,0,1,1|1,0,1]=4