0 B10R1.194 O=C(O)[C@H]1CCC(N1C)=O AK677593 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.194 O=C([C@@H]1CCC(N1C)=O)O AK159732 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.35 O=C(C1CC(NC1)=O)N AK-42143 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 AK-40161 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.35 O=C(O)[C@H]1NC[C@H](O)C1 AK-26056 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.35 O=C([C@@H]1NC[C@@H](N)C1)O AK-42168 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O AK-41934 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.35 O=C([C@H]1NC(SC1)=O)O AK-30315 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.35 O=C([C@H]1NC[C@@H](N)C1)O AK133481 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-38980 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-75743 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.35 O=C([C@H]1NC[C@H](O)C1)O AK162668 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [1,0,0,0,0,0|0,0,0]=1 24 B9R1.35 O=C1CN(C(C)=O)CC1 AK159618 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.35 OC(=O)[C@@H]1C[C@H](F)CN1 AK-30114 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O AK-39011 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.35 [C@H]1(NC[C@H](O)C1)C(=O)O AK-46403 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [1,0,0,0,0,0|2,0,1]=4 35 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [0,0,1,0,0,0|3,0,0]=4 36 B9R0.1 COC(=O)CCCC(Cl)=O AK-78695 [0,0,1,0,0,0|2,0,0]=3 37 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [0,0,1,0,0,0|1,0,0]=2 38 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,0,1,0,0,0|1,0,2]=4 39 B9R0.23 CN(CC(C(CC)=O)C)C AK-35427 [0,0,1,0,0,0|3,0,0]=4 40 B9R0.23 C[C@@H](NC(C)=O)C(OC)=O AK-80485 [0,0,1,0,0,0|3,0,0]=4 41 B9R0.23 C[C@H](NC(C)=O)C(OC)=O AK-80482 [0,0,1,0,0,0|3,0,0]=4 42 B9R0.23 O=C(O)CC(N)C(OC)=O AK162672 [0,0,1,0,0,0|2,0,0]=3 43 B9R0.23 O=C(O)C[C@H](N)C(OC)=O AK-41500 [0,0,1,0,0,0|2,0,0]=3 44 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(O)=O AK105884 [0,0,1,0,0,0|3,0,0]=4 45 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(O)=O AK-49760 [0,0,1,0,0,0|3,0,0]=4 46 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(O)=O AK105865 [0,0,1,0,0,0|3,0,0]=4 47 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(O)=O AK116146 [0,0,1,0,0,0|3,0,0]=4 48 B9R0.79 OC([C@@H]([C@H](C(O)=O)O)O)=O AK389895 [0,0,1,0,0,0|3,0,0]=4 49 B9R0.79 O[C@@H]([C@@H](C(O)=O)O)C(O)=O AK-50758 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.7 O=C(O)CCCCCBr AK-35122 [1,0,1,0,0,0|1,0,1]=4 51 B8R0.7 O=C(O)CCCCCN AK144762 [1,0,1,0,0,0|1,0,1]=4 52 B8R0.7 O=C(O)CCCCCO AK-41893 [1,0,1,0,0,0|1,0,1]=4 53 B8R0.7 OC(=O)CCCCCCl AK-48239 [1,0,1,0,0,0|1,0,1]=4 54 B8R0.28 O=C(O)CCCC(O)=O AK114297 [1,0,1,0,0,0|1,0,0]=3 55 B8R0.28 O=C(O)CCCN(C)C AK-50053 [1,0,1,0,0,0|2,0,0]=4 56 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [1,0,1,0,0,0|1,0,1]=4 57 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [1,0,1,0,0,0|1,0,0]=3 58 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [1,0,1,0,0,0|1,0,1]=4 59 B8R0.9 O=C(O)CCC(CN)=O AK-30504 [1,0,1,0,0,0|1,0,0]=3 60 B8R0.9 O=C(O)CNC(CN)=O AK-46058 [1,0,1,0,0,0|2,0,0]=4 61 B8R0.9 O=C(O)CNC(OC)=O AK158445 [1,0,1,0,0,0|2,0,0]=4 62 B8R0.23 C(=O)([C@@H](NC(=O)C)C)O AK-44154 [1,0,1,0,0,0|1,0,0]=3 63 B8R0.23 C[C@@H](NC(C)=O)C(O)=O AK-80484 [1,0,1,0,0,0|1,0,0]=3 64 B8R0.23 NC(CC(N)=O)C(O)=O AK-44638 [1,0,1,0,0,0|2,0,0]=4 65 B8R0.23 N[C@@H](CC(O)=O)C(O)=O AK-81235 [1,0,1,0,0,0|2,0,0]=4 66 B8R0.23 N[C@H](CC(N)=O)C(=O)O AK-54079 [1,0,1,0,0,0|2,0,0]=4 67 B8R0.23 N[C@H](CC(O)=O)C(O)=O AK-47468 [1,0,1,0,0,0|2,0,0]=4 68 B8R0.23 O=C(O)C(C)CC(O)=O AK114636 [1,0,1,0,0,0|1,0,0]=3 69 B8R0.23 O=C(O)[C@@H](N)CC(N)=O AK143332 [1,0,1,0,0,0|2,0,0]=4 70 B8R0.23 O=C(O)[C@@H](O)CC(O)=O AK-77850 [1,0,1,0,0,0|2,0,0]=4 71 B8R0.23 O=C(O)[C@H](O)CC(O)=O AK-88657 [1,0,1,0,0,0|2,0,0]=4 72 B8R0.2 CC[C@H](C)[C@@H](N)C(O)=O AK-72869 [1,0,1,0,0,0|1,0,1]=4 73 B8R0.2 N[C@@H]([C@@H](C)CC)C(O)=O AK-50075 [1,0,1,0,0,0|1,0,1]=4 74 B8R0.2 N[C@@H]([C@H](OC)C)C(O)=O AK-41699 [1,0,1,0,0,0|2,0,0]=4 75 B8R0.18 CC(C)[C@@H](C(O)=O)NC AK509708 [1,0,1,0,0,0|1,0,1]=4 76 B8R0.18 CC(C)[C@@H](CN)C(O)=O AK119228 [1,0,1,0,0,0|1,0,1]=4 77 B8R0.18 CC(C)[C@@H](NC)C(O)=O AK-89028 [1,0,1,0,0,0|1,0,1]=4 78 B8R0.18 CC(C)[C@H](CN)C(O)=O AK119232 [1,0,1,0,0,0|1,0,1]=4 79 B8R0.18 C[C@@H](O)[C@@H](C(O)=O)NC AK307143 [1,0,1,0,0,0|1,0,1]=4 80 B8R1.1 O=C1NC(CO)CC1 AK114000 [2,0,0,0,0,0|1,0,1]=4 81 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [2,0,0,0,0,0|1,0,1]=4 82 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [2,0,0,0,0,0|1,0,1]=4 83 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.7 O=C(C1CC=CC1)O AK-36334 [2,0,0,0,0,0|0,0,1]=3 86 B8R1.7 O=C(C1CCCC1)O AK-39169 [2,0,0,0,0,0|0,0,1]=3 87 B8R1.7 O=C(C1COCC1)O AK-44786 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.7 O=C(C1NCOC1)O AK118758 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [2,0,0,0,0,0|1,0,1]=4 90 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [2,0,0,0,0,0|1,0,1]=4 91 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [2,0,0,0,0,0|1,0,0]=3 92 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [2,0,0,0,0,0|1,0,1]=4 93 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.7 OC(=O)C1CCCN1 AK-54077 [2,0,0,0,0,0|1,0,1]=4 96 B8R1.7 OC(=O)C1CCCO1 AK-60899 [2,0,0,0,0,0|1,0,1]=4 97 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [2,0,0,0,0,0|1,0,0]=3 98 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [2,0,0,0,0,0|1,0,1]=4 101 B8R1.50 CC1C(CCC1=O)=O AK-50538 [2,0,0,0,0,0|0,0,1]=3 102 B8R1.50 O=C1OC[C@@H](O)[C@H]1O AK158528 [2,0,0,0,0,0|2,0,0]=4 103 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [0,1,1,0,0,0|2,0,0]=4 104 B10R0.3 O=C(O)CCCC(OCC)=O AK486985 [0,1,1,0,0,0|0,0,0]=2 105 B10R0.57 O=C(O)CC[C@@H](N)C(OC)=O AK153988 [0,1,1,0,0,0|1,0,0]=3 106 B10R0.57 O=C(O)CC[C@H](N)C(OC)=O AK-80443 [0,1,1,0,0,0|1,0,0]=3 107 B10R0.59 O=C(OC)CNCC(OC)=O AK-84133 [0,1,1,0,0,0|2,0,0]=4 108 B10R0.82 C(CC(OC)=O)C(C(O)=O)N AK-46710 [0,1,1,0,0,0|1,0,0]=3 109 B10R0.82 [C@@H](N)(CCC(=O)OC)C(O)=O AK-41035 [0,1,1,0,0,0|1,0,0]=3 110 B10R0.46 C([C@@H](O)CC(=O)OC)(=O)OC AK-50385 [0,1,1,0,0,0|2,0,0]=4 111 B10R0.46 N[C@@H](CC(OC)=O)C(OC)=O AK-41631 [0,1,1,0,0,0|2,0,0]=4 112 B10R0.46 O=C(OC)C(N)CC(OC)=O AK170024 [0,1,1,0,0,0|2,0,0]=4 113 B10R0.46 O=C(OC)[C@H](Br)CC(OC)=O AK-43703 [0,1,1,0,0,0|2,0,0]=4 114 B10R0.46 O=C(OC)[C@H](N)CC(OC)=O AK-50044 [0,1,1,0,0,0|2,0,0]=4 115 B10R0.141 O=C(O)CC(C)(C)C(OC)=O AK-48155 [0,1,1,0,0,0|1,0,0]=3 116 B10R1.14 COC(C1NC(=O)CC1)=O AK-46671 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.14 O=C(C1CC(CC1)=O)OC AK-39983 [1,1,0,0,0,0|0,0,0]=2 118 B10R1.14 O=C(C1CC(N)CC1)OC AK144646 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.14 O=C(C1CC(NC1)=O)OC AK-27649 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.14 O=C([C@@H]1C[C@@H](N)CC1)OC AK173650 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.14 O=C([C@@H]1C[C@H](N)CC1)OC AK185405 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.14 O=C([C@@H]1NC(OC1)=O)OC AK117840 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.14 O=C([C@H]1CCC(N1)=O)OC AK-41780 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.14 O=C1N[C@H](C(OC)=O)CC1 AK-27009 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.128 C[N+]1(C)[C@H](C(O)=O)CCC1 AK142876 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.128 O=C(C1CNCC1(C)C)O AK-29958 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C AK-38248 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.149 O=C([C@H]1CNC[C@@H]1C)OC AK544675 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.149 O=C([C@H]1N(C)CCC1)OC AK158809 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.1280 CC1(C)CC(=O)CCC1C(O)=O AK-84814 [0,1,0,0,0,1|0,0,0]=2 131 B12R1.1579 O=C(N1C(C)C(CC1)=O)OCC AK156845 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.13 CC(=O)N1CCC(=O)CC1 AK-34678 [0,0,1,1,0,0|2,0,0]=4 133 B10R1.13 CN1CCC(CC1)C(O)=O AK-48466 [0,0,1,1,0,0|2,0,0]=4 134 B10R1.13 C[C@H]1CC[C@@H](CC1)C(O)=O AK-45247 [0,0,1,1,0,0|1,0,1]=4 135 B10R1.13 NC(=O)C1CCC(=O)CC1 AK-89999 [0,0,1,1,0,0|1,0,0]=3 136 B10R1.13 N[C@H]1CC[C@@H](CC1)C(O)=O AK-29230 [0,0,1,1,0,0|1,0,1]=4 137 B10R1.13 N[C@H]1CC[C@H](CC1)C(O)=O AK-41665 [0,0,1,1,0,0|1,0,1]=4 138 B10R1.13 O=C(C1CCC(C)CC1)O AK164489 [0,0,1,1,0,0|1,0,1]=4 139 B10R1.13 O=C(C1CCC(CC1)=O)O AK107691 [0,0,1,1,0,0|0,0,0]=2 140 B10R1.13 O=C(C1CCN(C)CC1)O AK-47579 [0,0,1,1,0,0|2,0,0]=4 141 B10R1.13 O=C([C@@H]1CNC(CN1)=O)O AK160412 [0,0,1,1,0,0|2,0,0]=4 142 B10R1.13 O=C([C@H]1CC[C@@H](O)CC1)O AK-64579 [0,0,1,1,0,0|0,0,2]=4 143 B10R1.13 O=C([C@H]1CC[C@H](N)CC1)O AK-40159 [0,0,1,1,0,0|1,0,1]=4 144 B10R1.13 O=C([C@H]1CC[C@H](O)CC1)O AK116045 [0,0,1,1,0,0|0,0,2]=4 145 B10R1.13 OC1CCC(CC1)C(O)=O AK-64210 [0,0,1,1,0,0|0,0,2]=4 146 B10R1.150 COC(=O)CC1CC(=O)C1 AK109408 [0,0,1,1,0,0|2,0,0]=4 147 B10R1.350 O=C(O)CCCC1(C)CC1 AK137230 [0,0,1,1,0,0|1,0,1]=4 148 B10R1.25 C(C)C1CNC(CC1=O)=O AK-24496 [0,0,1,1,0,0|2,0,0]=4 149 B10R1.61 O=C(C1C(C)NCCC1)O AK155118 [0,0,1,1,0,0|1,0,1]=4 150 B10R1.348 O=C(O)C1CCCCCC1 AK-25427 [0,0,1,1,0,0|1,0,1]=4 151 B10R1.64 O=C(O)CN1CCNC1=O AK-89601 [0,0,1,1,0,0|2,0,0]=4 152 B10R1.64 O=C1CCCN1CC(=O)O AK-35555 [0,0,1,1,0,0|1,0,0]=3 153 B10R1.64 O=C1N(CCC1)CC(N)=O AK326212 [0,0,1,1,0,0|2,0,0]=4 154 B8R1.23 O=C(C1CC(N1)=O)O AK-40842 [1,0,0,0,1,0|1,0,0]=3 155 B8R1.23 O=C(C1CC(O)C1)O AK-51692 [1,0,0,0,1,0|0,0,2]=4 156 B8R1.23 O=C(C1CN(C)C1)O AK-67585 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.23 O=C([C@H]1C[C@@H](N)C1)O AK-29496 [1,0,0,0,1,0|1,0,1]=4 158 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O AK-67699 [1,0,0,0,1,0|0,0,2]=4 159 B8R1.23 O=C([C@H]1C[C@H](O)C1)O AK129703 [1,0,0,0,1,0|0,0,2]=4 160 B8R1.23 O=C1CC(C1)C(=O)O AK-25641 [1,0,0,0,1,0|0,0,0]=2 161 B10R0.55 C(C(OC)=O)CCCC(O)=O AK-46610 [0,0,1,0,0,1|1,0,0]=3 162 B10R0.55 COC(=O)CCCCC(C)=O AK102293 [0,0,1,0,0,1|2,0,0]=4 163 B10R1.113 CN1CCCC(C1)C(O)=O AK-96687 [1,0,0,0,0,1|2,0,0]=4 164 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AK-40828 [1,0,0,0,0,1|1,0,1]=4 165 B10R1.113 N[C@H]1CCC[C@H](C1)C(O)=O AK-59924 [1,0,0,0,0,1|1,0,1]=4 166 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [1,0,0,0,0,1|0,0,0]=2 167 B10R1.113 O=C([C@@H]1C[C@H](N)CCC1)O AK171951 [1,0,0,0,0,1|1,0,1]=4 168 B10R1.113 O=C([C@@H]1NCC[C@@H](O)C1)O AK552057 [1,0,0,0,0,1|0,0,2]=4 169 B10R1.113 O=C([C@H]1C[C@@H](N)CCC1)O AK171952 [1,0,0,0,0,1|1,0,1]=4 170 B10R1.113 O=C1N[C@H]([C@@](O)=O)CCC1 AK-44820 [1,0,0,0,0,1|1,0,0]=3 171 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [1,0,0,0,0,1|0,0,0]=2