0 B6R0.3 C=C[C@H](N)C(=O)O AC-22586 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CCC(=O)C(=O)O AC-37023 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 CCC(=O)C(=O)[O-] AC-37022 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 CC[C@@H](N)C(=O)O AC-1209 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC[C@H](N)C(=O)O AC-23985 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CC[C@H](N)C(N)=O AC-23986 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CN[C@H](C)C(=O)O AC-24129 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CO[C@H](C)C(=O)O AC-31869 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 C[C@H](CO)C(=O)O AC-9519 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 C\C=C(\C)C(=O)O AC-30733 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 NC(=O)C(Br)CBr AC-19535 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 NC(=O)[C@@H](N)CO AC-16681 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.3 NC(CO)C(=O)O AC-24074 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.3 NCC(N)C(=O)O AC-22379 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.3 NCC(N)C(=O)O AC-5659 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 NC[C@@H](N)C(=O)O AC-5660 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.3 NC[C@H](N)C(=O)O AC-5654 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.3 N[C@@H](CCl)C(=O)O AC-22368 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.3 N[C@@H](CCl)C(=O)O AC-8102 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.3 N[C@@H](CS)C(=O)O AC-12796 [0,0,0,0,0,0|1,1,1]=3 20 B6R0.3 N[C@H](CO)C(=O)O AC-24073 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 N[C@H](CS)C(=O)O AC-7470 [0,0,0,0,0,0|1,1,1]=3 22 B6R0.3 N[C@H](CS)C(=O)O AC-7471 [0,0,0,0,0,0|1,1,1]=3 23 B6R0.3 OC(=O)[C@H](CO)N AC-1190 [0,0,0,0,0,0|1,0,1]=2 24 B6R0.3 [C@H](N)(CC)C(=O)O AC-1817 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 C#CCC(=O)O AC-30551 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 C(Cl)CC(=O)O AC-16131 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 C[C@@H](O)CCO AC-5640 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.1 O=C(O)CCS AC-4722 [1,0,0,0,0,0|0,1,1]=3 29 B5R0.3 C(=O)C(=O)OC AC-591 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 C=C[C@@H](N)CO AC-30956 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.3 COC(=O)CF AC-590 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.3 COC(=O)CN AC-19215 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.3 NC(CO)CO AC-13723 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.5 CC(=O)C(=O)[O-] AC-20029 [1,0,0,0,0,0|0,0,1]=2 35 B5R0.5 CC(Br)C(=O)O AC-190 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.5 C[C@H](Br)C(=O)O AC-28136 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.5 C[C@H](N)C(=O)O AC-014 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.5 C[C@H](N)C(=O)O AC-24031 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.5 C[C@H](N)C(N)=O AC-24033 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.5 C[C@H](O)C(=O)[O-] AC-14439 [1,0,0,0,0,0|0,0,3]=4 41 B7R0.5 C#CCC(N)C(=O)O AC-9946 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.5 C#CC[C@@H](N)C(=O)O AC-7947 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.5 C#CC[C@H](N)C(=O)O AC-9947 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.5 C=CC[C@@H](N)C(=O)O AC-25008 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 C=CC[C@@H](N)C(=O)O AC-4462 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.5 CCCC(N)C(=O)O AC-24060 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.5 CCC[C@@H](N)C(=O)O AC-24059 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.5 CCC[C@H](N)C(=O)O AC-31149 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.5 CCOC(=O)C(N)=S AC-7151 [0,1,0,0,0,0|2,1,0]=4 50 B7R0.5 COCC(Cl)C(=O)O AC-2410 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.5 COCC(N)C(=O)O AC-26598 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.5 COC[C@@H](N)C(=O)O AC-1108 [0,1,0,0,0,0|1,0,1]=3 53 B7R0.5 COC[C@@H](N)C(=O)O AC-25779 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.5 COC[C@H](N)C(=O)O AC-1107 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.5 COC[C@H](N)C(=O)O AC-25783 [0,1,0,0,0,0|1,0,1]=3 56 B7R0.5 NC(CCO)C(=O)O AC-5670 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.5 NCCC(N)C(=O)O AC-23758 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.5 NCCC(O)C(=O)O AC-2929 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.5 NCC[C@@H](N)C(=O)O AC-23757 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.5 NCC[C@@H](N)C(=O)O AC-5661 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.5 NCC[C@H](N)C(=O)O AC-5662 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.5 NCC[C@H](O)C(=O)O AC-1318 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.5 N[C@@H](CCBr)C(=O)O AC-5638 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.5 N[C@@H](CCO)C(=O)O AC-5665 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.5 N[C@H](CCO)C(=O)O AC-5666 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.5 [C@@H](N)(CC=C)C(=O)O AC-877 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.5 [C@H](N)(CC=C)C(=O)O AC-9624 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.10 COC(=O)C(N)CO AC-24068 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.10 COC(=O)C(O)CO AC-33823 [0,1,0,0,0,0|0,0,2]=3 70 B7R0.10 COC(=O)[C@@H](C)CO AC-31279 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.10 COC(=O)[C@@H](N)CS AC-8650 [0,1,0,0,0,0|1,1,1]=4 72 B7R0.10 COC(=O)[C@@H](O)CO AC-33821 [0,1,0,0,0,0|0,0,2]=3 73 B7R0.10 COC(=O)[C@H](C)CO AC-31278 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.10 COC(=O)[C@H](N)CCl AC-26976 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.10 COC(=O)[C@H](N)CO AC-22365 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.10 COC(=O)[C@H](N)CO AC-22366 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.10 COC(=O)[C@H](O)CO AC-33822 [0,1,0,0,0,0|0,0,2]=3 78 B7R0.10 CON(C)C(=O)CCl AC-28975 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.13 CC(=O)C(C)(C)CO AC-30558 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.13 CC(C)(CO)C(=O)O AC-29208 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.13 CC[C@@](C)(N)C(=O)O AC-4457 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.13 CC[C@](C)(N)C(=O)O AC-4458 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.13 C[C@@](N)(CO)C(=O)O AC-3443 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.13 C[C@](N)(CO)C(=O)O AC-2370 [0,1,0,0,0,0|1,0,1]=3 85 B7R0.15 CC[C@H](CO)C(=O)O AC-9520 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.16 CC(C)C(N)C(=O)O AC-24062 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-23805 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.16 CC(C)[C@@H](Br)C(=O)O AC-5643 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.16 CC(C)[C@@H](N)C(=O)O AC-24061 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.16 CN(C)C(=O)C(=O)O AC-29211 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O AC-10526 [0,1,0,0,0,0|1,0,1]=3 92 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AC-11296 [0,1,0,0,0,0|1,0,1]=3 93 B7R0.16 C[C@H](N)[C@H](O)C(=O)O AC-9105 [0,1,0,0,0,0|1,0,2]=4 94 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O AC-24067 [0,1,0,0,0,0|1,0,1]=3 95 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AC-22377 [0,1,0,0,0,0|1,0,1]=3 96 B7R1.4 CC1OCCC1=O AC-8268 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.4 NN1CCOC1=O AC-33916 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.4 N[C@@H]1CCOC1=O AC-23765 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.4 N[C@@H]1CONC1=O AC-4721 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.4 N[C@H]1CCOC1=O AC-5669 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.4 O=C1OCCC1Br AC-18401 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.12 CC1CC1C(=O)O AC-26542 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.12 O=C(O)C1CC1F AC-31184 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.12 O=C(O)C1CC1S AC-6276 [0,0,0,1,0,0|1,1,1]=4 105 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AC-31170 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AC-31172 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I AC-31167 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.12 O=C(O)[C@@H]1C[C@H]1F AC-31173 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.12 O=C(O)[C@H]1C[C@H]1F AC-31171 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.12 O=C(O)[C@H]1C[C@H]1I AC-31163 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.18 O=C(O)C1CCC1 AC-27351 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.18 O=C(O)C1CCN1 AC-23205 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.18 O=C(O)C1CCN1 AC-23581 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.18 O=C(O)C1CCN1 AC-5888 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.18 O=C(O)C1CCO1 AC-28801 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.18 O=C(O)C1CNC1 AC-5893 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.18 O=C(O)[C@@H]1CCN1 AC-5699 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.19 CC1(C(=O)O)CC1 AC-5063 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.19 NC1(C(=O)O)CC1 AC-1835 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.19 NC1(C(=O)O)CC1 AC-2698 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.19 O=C(O)C1(Br)CC1 AC-29641 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.19 O=C(O)C1(F)CC1 AC-31160 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.19 O=C(O)C1(O)CC1 AC-497 [0,0,0,1,0,0|1,0,2]=4 124 B7R0.2 CC[C@@H](N)CC(=O)O AC-9143 [0,0,0,0,0,1|2,0,1]=4 125 B7R0.2 NC[C@@H](O)CC(=O)O AC-13943 [0,0,0,0,0,1|1,0,2]=4 126 B7R0.2 NC[C@H](O)CC(=O)O AC-13944 [0,0,0,0,0,1|1,0,2]=4 127 B7R0.2 N[C@@H](CO)CC(=O)O AC-22091 [0,0,0,0,0,1|1,0,1]=3 128 B7R0.2 N[C@H](CO)CC(=O)O AC-22092 [0,0,0,0,0,1|1,0,1]=3 129 B4R0.1 C[C@@H](O)CO AC-14032 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 C[C@H](O)CO AC-14033 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.1 NC(=O)NO AC-22674 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.1 NCC(N)=O AC-7069 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.1 C(Cl)CC(=O)OC AC-16132 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.1 COC(=O)CCN AC-22369 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.2 CC(O)CC(=O)O AC-5701 [1,1,0,0,0,0|0,0,1]=3 136 B6R0.2 C[C@@H](N)CC(=O)O AC-22067 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.2 C[C@H](N)CC(=O)O AC-5698 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.2 C[C@H](O)CC(=O)[O-] AC-13946 [1,1,0,0,0,0|0,0,2]=4 139 B6R0.4 O=C(O)CCCBr AC-6279 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.4 O=C(O)\C=C\CBr AC-30328 [1,1,0,0,0,0|1,0,0]=3 141 B6R0.5 O=S(=O)(O)CCO AC-538 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.8 CC(C)(C=O)CO AC-366 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.7 CC(C)(Cl)C(=O)O AC-5641 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.7 CC(C)(N)C(=O)O AC-2694 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.5 CCOC(=O)CC(C)=O AC-671 [0,1,0,0,0,1|2,0,0]=4 146 B8R0.19 COC(=O)C[C@@H](O)CO AC-18662 [0,1,0,0,0,1|0,0,2]=4 147 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O AC-22094 [0,1,0,0,0,1|1,0,1]=4 148 B8R0.3 CCOC(=O)C(=O)CBr AC-410 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.3 CCOC(=O)\C(Cl)=N/O AC-23193 [0,2,0,0,0,0|2,0,0]=4 150 B8R0.13 COC(=O)C(C)(C)CO AC-29209 [0,2,0,0,0,0|1,0,1]=4 151 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)O AC-049 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)O AC-1524 [0,2,0,0,0,0|1,0,1]=4 153 B6R1.11 O=C([O-])C1CO1 AC-30693 [1,0,0,1,0,0|0,0,2]=4 154 B6R1.11 O=C([O-])[C@@H]1CO1 AC-30695 [1,0,0,1,0,0|0,0,2]=4 155 B6R1.11 O=C([O-])[C@H]1CO1 AC-30694 [1,0,0,1,0,0|0,0,2]=4 156 B8R1.1 CC1=CC(CO)=NO1 AC-24551 [0,0,0,1,0,1|2,0,0]=4 157 B8R1.4 O=C1CCCC(=O)C1 AC-6960 [0,0,0,1,0,1|2,0,0]=4 158 B8R1.4 O=C1CCNC(=O)C1 AC-22759 [0,0,0,1,0,1|2,0,0]=4 159 B8R1.18 CC1=CC(=O)OC1O AC-505 [0,0,0,1,0,1|1,0,0]=3 160 B8R1.7 O=C(O)C1=COC=C1 AC-4439 [0,1,0,1,0,0|1,0,1]=4 161 B8R1.7 O=C(O)C1=COC=N1 AC-6589 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.7 O=C(O)C1=COCC1 AC-31027 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.7 O=C(O)C1=NOC=C1 AC-14396 [0,1,0,1,0,0|1,0,1]=4 164 B8R1.23 O=C(O)C1CC(O)C1 AC-25285 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.78 CC1(C(=O)O)COC1 AC-26945 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.25 O=C1C(=O)C(O)=C1O AC-22924 [0,1,0,1,0,0|0,0,1]=3 167 B8R1.50 CC1=C(O)C(=O)CO1 AC-14026 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.50 O=C1CCC(=O)N1O AC-10509 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.50 O=C1CCC(=O)N1O AC-15786 [0,1,0,1,0,0|2,0,0]=4 170 B8R0.9 NCC(=O)CCC(=O)O AC-054 [0,0,0,0,0,2|1,0,0]=3 171 B8R0.9 NCC(=O)CCC(=O)O AC-4252 [0,0,0,0,0,2|1,0,0]=3