0 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(C)[C@@H](F)CO AT16234 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.3 CC(C)[C@@H](N)CO AT21568 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.3 COC(=O)[C@H](C)Br AT21844 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.3 C[C@H](O)C(=N)NO AT25257 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.3 NC[C@H](F)C(=O)O 94834 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.3 NC[C@H](F)C(=O)O 94835 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,1,0,0,0,0|0,0,2]=3 14 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.27 CN(C)C(=O)C(C)(C)N D77110 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.37 CC(O)C(C)(N)C(=O)O AT25333 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O CX1253 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O D75477 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25345 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25346 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D99110 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,0,0,1,0,0|1,0,1]=3 25 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.31 O=C(O)C1CCC1O D74978 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.50 CN1CCC(=O)C1=O C77472 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.50 CN1CC[C@H](O)C1=O AT18767 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.50 CN1CC[C@H](O)C1=O D76675 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [0,0,0,1,0,0|0,0,2]=3 42 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [0,0,0,1,0,0|0,0,2]=3 43 B8R0.23 CC(C)C[C@H](Br)C(=O)O AT22422 [0,0,0,0,0,1|1,0,1]=3 44 B5R0.3 O=C(CO)CBr AC6051 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.5 CC(=O)[C@H](C)N 91521 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [1,1,0,0,0,0|0,0,1]=3 48 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.9 CC(F)(F)CC(=O)O H11192 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.9 CP(C)(=O)CC(=O)O D76431 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [1,1,0,0,0,0|0,0,2]=4 56 B7R0.13 CC[C@](C)(O)C(=O)O D78566 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.13 [2H]C([2H])(C=O)C(C)C D98155 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.14 CC(C)(C)C(=O)ON AT24053 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.11 [2H][C@](N)(CC(C)C)C(=O)O D99373 [0,1,0,0,0,1|1,0,1]=4 60 B9R0.57 CC(=O)C(=O)OC(C)(C)C AT12821 [0,1,0,0,0,1|1,0,0]=3 61 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 81474 [0,1,0,0,0,1|1,0,1]=4 62 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O 69611 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.27 COC(=O)C(=O)N(C)OC D88026 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.32 C=CC(F)(F)C(=O)C(=O)O F50924 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.72 CO[C@H](C(=O)O)C(C)(C)C D75518 [0,2,0,0,0,0|0,0,2]=4 66 B9R0.72 CO[C@H](C(=O)O)C(C)(C)C D75519 [0,2,0,0,0,0|0,0,2]=4 67 B9R0.80 CC(C)(C)C(C)(C)C(=O)O D76400 [0,2,0,0,0,0|1,0,1]=4 68 B9R0.80 CC(C)(N)C(C)(C)C(=O)O E73422 [0,2,0,0,0,0|1,0,1]=4 69 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [1,0,0,1,0,0|0,0,1]=3 70 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [1,0,0,1,0,0|0,0,1]=3 71 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.20 NC(=O)CC1CC1 D72924 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.20 O=C(Cl)OC1CC1 C77415 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.20 O=C(O)C=C1CC1 AT21198 [1,0,0,1,0,0|0,0,1]=3 76 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.4 C[C@H]1CONC1=O D73580 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.4 O=C1CCNC1=O AT24684 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.17 CC1(C)CCC1=O P17178 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.17 CC1(C)CNC1=O D72852 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.17 CC1(C)OCC1=O P17179 [1,0,0,1,0,0|0,0,1]=3 82 B7R1.19 O=C(O)C1(I)CC1 E70160 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.22 O=CC(=O)C1CC1 D74797 [1,0,0,1,0,0|0,0,0]=2 84 B9R1.35 CC(C)C1=NOC(Br)=C1 AT19750 [0,0,0,1,0,1|2,0,0]=4 85 B9R1.35 CC1CCC(C(=O)O)C1 72652 [0,0,0,1,0,1|1,0,1]=4 86 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17994 [0,0,0,1,0,1|1,0,1]=4 87 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11434 [0,0,0,1,0,1|1,0,1]=4 88 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT24203 [0,0,0,1,0,1|1,0,1]=4 89 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21805 [0,0,0,1,0,1|1,0,1]=4 90 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 AT21807 [0,0,0,1,0,1|1,0,1]=4 91 B9R1.35 N[C@H]1CC=C(C(=O)O)C1 AT12406 [0,0,0,1,0,1|2,0,0]=4 92 B9R1.38 CC1(C)SC(=O)NC1=O D73418 [0,0,0,1,0,1|0,1,0]=3 93 B9R1.69 O=C1OC[C@H](Br)C=C1Br AC4040 [0,0,0,1,0,1|2,0,0]=4 94 B9R1.112 C[C@H](SC1CC1)C(=O)O AC8726 [0,0,0,1,0,1|1,0,1]=4 95 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT24786 [0,0,0,1,0,1|0,0,2]=4 96 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53443 [0,0,0,1,0,1|1,0,1]=4 97 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53536 [0,0,0,1,0,1|1,0,1]=4 98 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53574 [0,0,0,1,0,1|1,0,1]=4 99 B9R1.137 N[C@@H](CC(=O)O)C1CC1 F53768 [0,0,0,1,0,1|1,0,1]=4 100 B9R1.152 CC1CC(N)(C(=O)O)C1 AT19782 [0,0,0,1,0,1|1,0,1]=4 101 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O AT11293 [0,0,0,1,0,1|1,0,1]=4 102 B9R1.161 CC(C)[C@H]1C[C@@H]1C(=O)O AT11295 [0,0,0,1,0,1|1,0,1]=4 103 B9R1.164 CC1(C)C[C@@H](C(=O)O)N1 AT23789 [0,0,0,1,0,1|1,0,1]=4 104 B9R1.169 CC1(C)C[C@@]1(N)C(=O)O AT12985 [0,0,0,1,0,1|1,0,1]=4 105 B9R1.169 CC1(C)C[C@@]1(O)C(=O)O AT22983 [0,0,0,1,0,1|0,0,2]=4 106 B9R1.3 CN1CCNC(=O)C1=O AT12018 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.37 C[C@H]1CC(=O)C(=O)N1C AT26323 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.41 CC1CCNC1C(=O)O E72830 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.41 CC1CNCC1C(=O)O AT17201 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.96 O=C(O)C1CCC1CO D75979 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.110 CC(C(=O)O)C1CCO1 P20432 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.110 O=C(O)[C@@H](O)C1CCC1 D79655 [0,1,0,1,0,0|0,0,2]=4 116 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 AT19387 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 D72131 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.132 CN1C(=O)OC[C@@H]1CO C77407 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.52 CC1CN(C)[C@@H]1C(=O)O P15972 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.52 C[C@@H]1CN(C)[C@@H]1C(=O)O D96588 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.166 CC1(C)CO[C@@H]1C(=O)O E72851 [0,1,0,1,0,0|0,0,2]=4 122 B9R1.168 CC(C)C1(C(=O)O)CC1 AT12380 [0,1,0,1,0,0|1,0,1]=4 123 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|1,0,1]=4 124 B7R0.6 C[C@H](N)CCC(=O)O D75535 [1,0,0,0,0,1|1,0,1]=4 125 B7R0.6 O=C(O)\C=C\C(F)F AT12711 [1,0,0,0,0,1|2,0,0]=4 126 B7R0.6 O=C(O)\C=C\C(F)F D74796 [1,0,0,0,0,1|2,0,0]=4 127 B9R0.7 C[C@H](S)C(=O)NCC(=O)O AC9095 [0,0,0,0,0,2|1,0,0]=3