0 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 HY-W061761 [1,0,0,0,0,0|1,0,1]=3 1 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 HY-W044620 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135 [1,0,0,0,0,0|1,0,2]=4 3 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HY-40135R [1,0,0,0,0,0|1,0,2]=4 4 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-40136 [1,0,0,0,0,0|1,0,2]=4 5 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 HY-W019213 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 HY-76104 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-34666 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 HY-W003511 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.35 O=C1CCC(C(=O)O)N1 HY-W012738 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HY-76082R [1,0,0,0,0,0|1,0,0]=2 12 B9R1.35 O=C1CC[C@H](C(=O)O)N1 HY-W002304 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.35 O=C1N[C@H](C(=O)O)CS1 HY-133105 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 HY-W008129 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [1,0,0,0,0,0|1,0,1]=3 16 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,0,1,0,0,0|1,0,0]=2 17 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,0,1,0,0,0|2,0,1]=4 18 B9R0.23 CN(CC(=O)O)C(=O)CN HY-W010276 [0,0,1,0,0,0|2,0,0]=3 19 B9R0.23 N[C@@H](CC(=O)O)C(=O)O[K] HY-N0666A [0,0,1,0,0,0|3,0,0]=4 20 B9R0.29 CCC(C)C(CC)C(N)=O HY-121877 [0,0,1,0,0,0|2,0,1]=4 21 B9R0.79 CC(C(=O)O)C(N)C(=O)O HY-W017501 [0,0,1,0,0,0|2,0,0]=3 22 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O HY-N6858 [0,0,1,0,0,0|1,0,2]=4 23 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O HY-W010271 [0,0,1,0,0,0|1,0,2]=4 24 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O HY-133681A [0,0,1,0,0,0|3,0,0]=4 25 B9R0.79 O=C(O)C(O)C(O)C(=O)O HY-N2436 [0,0,1,0,0,0|3,0,0]=4 26 B9R0.79 O=C(O)C(O)C(O)C(=O)O HY-N2436R [0,0,1,0,0,0|3,0,0]=4 27 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O HY-Y1134 [0,0,1,0,0,0|3,0,0]=4 28 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O HY-D0850 [0,0,1,0,0,0|3,0,0]=4 29 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O HY-Y1315 [0,0,1,0,0,0|3,0,0]=4 30 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O HY-B1768 [0,0,1,0,0,0|3,0,0]=4 31 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-101036 [0,0,1,0,0,0|3,0,0]=4 32 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-101036R [0,0,1,0,0,0|3,0,0]=4 33 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O HY-W127787 [0,0,1,0,0,0|3,0,0]=4 34 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,0,1,0,0,0|1,0,1]=4 35 B8R0.28 CC(=O)CCCC(=O)O HY-W001957 [1,0,1,0,0,0|0,0,0]=2 36 B8R0.28 CC(=O)NCCC(=O)O HY-66007 [1,0,1,0,0,0|1,0,0]=3 37 B8R0.28 NC(=O)NCCC(=O)O HY-113285 [1,0,1,0,0,0|2,0,0]=4 38 B8R0.28 O=C(O)CCCC(=O)O HY-W008820 [1,0,1,0,0,0|1,0,0]=3 39 B8R0.28 O=C(O)CCCC(=O)O HY-W008820R [1,0,1,0,0,0|1,0,0]=3 40 B8R0.28 O=C(O)CNCC(=O)O HY-W012683 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.8 CCCCC(C)C(=O)O HY-128371 [1,0,1,0,0,0|1,0,1]=4 42 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,0,1,0,0,0|1,0,1]=4 43 B8R0.9 CCC(=O)NCC(=O)O HY-W587803 [1,0,1,0,0,0|1,0,0]=3 44 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,0,1,0,0,0|2,0,0]=4 45 B8R0.9 NCC(=O)CCC(=O)O HY-N0305 [1,0,1,0,0,0|1,0,0]=3 46 B8R0.9 NCC(=O)CCC(=O)O HY-N0305R [1,0,1,0,0,0|1,0,0]=3 47 B8R0.9 NCC(=O)NCC(=O)O HY-D0889R [1,0,1,0,0,0|2,0,0]=4 48 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066 [1,0,1,0,0,0|1,0,0]=3 49 B8R0.23 CC(=O)N[C@@H](C)C(=O)O HY-W004066R [1,0,1,0,0,0|1,0,0]=3 50 B8R0.23 CC(CC(=O)O)C(=O)O HY-W010381 [1,0,1,0,0,0|1,0,0]=3 51 B8R0.23 CS(=O)C[C@H](N)C(=O)O HY-W017404 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.23 NC(=O)CC(N)C(=O)O HY-W017442 [1,0,1,0,0,0|2,0,0]=4 53 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378 [1,0,1,0,0,0|2,0,0]=4 54 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667R [1,0,1,0,0,0|2,0,0]=4 55 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-W017443 [1,0,1,0,0,0|2,0,0]=4 56 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824 [1,0,1,0,0,0|2,0,0]=4 57 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666R [1,0,1,0,0,0|2,0,0]=4 58 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] HY-N0666C [1,0,1,0,0,0|2,0,0]=4 59 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311 [1,0,1,0,0,0|2,0,0]=4 60 B8R0.23 O=C(O)CC(O)C(=O)O HY-Y1311R [1,0,1,0,0,0|2,0,0]=4 61 B8R0.23 O=C(O)CC(S)C(=O)O HY-106381 [1,0,1,0,0,0|2,0,0]=4 62 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558 [1,0,1,0,0,0|2,0,0]=4 63 B8R0.23 O=C(O)C[C@@H](O)C(=O)O HY-20558R [1,0,1,0,0,0|2,0,0]=4 64 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069 [1,0,1,0,0,0|2,0,0]=4 65 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O HY-N0667S2 [1,0,1,0,0,0|2,0,0]=4 66 B8R0.23 [15NH2][13C@@H]([13CH2][13C](=O)O)[13C](=O)O HY-N0666S1 [1,0,1,0,0,0|2,0,0]=4 67 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [1,0,1,0,0,0|1,0,1]=4 68 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [1,0,1,0,0,0|1,0,1]=4 69 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [1,0,1,0,0,0|1,0,1]=4 70 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [1,0,1,0,0,0|1,0,1]=4 71 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [1,0,1,0,0,0|2,0,0]=4 72 B8R0.18 CCC(C(=O)O)C(=O)O HY-34740 [1,0,1,0,0,0|1,0,1]=4 73 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [1,0,1,0,0,0|1,0,1]=4 74 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [1,0,1,0,0,0|1,0,1]=4 75 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [1,0,1,0,0,0|1,0,1]=4 76 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [2,0,0,0,0,0|1,0,1]=4 77 B8R1.7 O=C(O)C1CSCN1 HY-B1169 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.7 O=C(O)C1CSSC1 HY-50730 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.7 O=C(O)[C@@H]1C=CCN1 HY-W015897 [2,0,0,0,0,0|1,0,1]=4 80 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [2,0,0,0,0,0|1,0,1]=4 81 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [2,0,0,0,0,0|1,0,1]=4 82 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [2,0,0,0,0,0|1,0,1]=4 83 B8R1.7 O=C(O)[C@@H]1CCNC1 HY-60256 [2,0,0,0,0,0|1,0,0]=3 84 B8R1.7 O=C(O)[C@@H]1CSCN1 HY-W012676 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [2,0,0,0,0,0|1,0,1]=4 86 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [2,0,0,0,0,0|1,0,1]=4 87 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [2,0,0,0,0,0|2,0,0]=4 88 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O HY-W015425 [0,1,1,0,0,0|1,0,0]=3 89 B10R0.57 N[C@@H](CCC(=O)O)C(=O)O[Na] HY-W016145 [0,1,1,0,0,0|2,0,0]=4 90 B10R0.59 COC(=O)CCCC(=O)OC HY-W089014 [0,1,1,0,0,0|1,0,0]=3 91 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O HY-W042000 [0,1,1,0,0,0|1,0,0]=3 92 B10R0.82 COC(=O)CC[C@H](N)C(=O)O HY-W013678 [0,1,1,0,0,0|1,0,0]=3 93 B10R0.82 NC(CCC(=O)O[Na])C(=O)O HY-W250122 [0,1,1,0,0,0|2,0,0]=4 94 B10R0.82 N[C@@H](CCC(=O)NO)C(=O)O HY-137874 [0,1,1,0,0,0|2,0,0]=4 95 B10R0.82 N[C@@H](CCC(=O)O[K])C(=O)O HY-W141949 [0,1,1,0,0,0|2,0,0]=4 96 B10R0.82 N[C@@H](CCC(=O)O[K])C(=O)O HY-W337739 [0,1,1,0,0,0|2,0,0]=4 97 B10R0.82 N[C@@H](CCC(=O)O[Na])C(=O)O HY-14608A [0,1,1,0,0,0|2,0,0]=4 98 B10R0.98 O=C(O)CCCC(=O)C(=O)O HY-113227 [0,1,1,0,0,0|1,0,1]=4 99 B10R0.84 CNC(CCC(=O)O)C(=O)O HY-W015424 [0,1,1,0,0,0|1,0,0]=3 100 B10R0.46 COC(=O)CC(N)C(=O)OC HY-W067478 [0,1,1,0,0,0|2,0,0]=4 101 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC HY-W009840 [0,1,1,0,0,0|2,0,0]=4 102 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 HY-W057459 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 HY-Z0425 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O HY-N0738 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,0,1,1,0,0|0,0,2]=4 106 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,0,1,1,0,0|0,0,2]=4 107 B10R1.64 NC(=O)CN1CCCC1=O HY-B0585 [0,0,1,1,0,0|2,0,0]=4 108 B10R1.64 NC(=O)CN1CCCC1=O HY-B0585R [0,0,1,1,0,0|2,0,0]=4 109 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784 [1,0,0,0,0,1|2,0,0]=4 110 B10R1.113 CC1=NCC[C@@H](C(=O)O)N1 HY-107784R [1,0,0,0,0,1|2,0,0]=4 111 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 HY-W017542 [1,0,0,0,0,1|1,0,0]=3 112 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 HY-W048995 [1,0,0,0,0,1|1,0,0]=3