0 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,0,0,0,0,0|0,0,1]=2 4 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.2 NCC(O)CC(=O)O SC-50844 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.5 CCOC(=O)C(=N)N SC-32236 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.5 CCOC(=O)C(=O)O SC-26569 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.5 CCOC(=O)C(C)=O SC-15232 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.5 CCOC(=O)C(N)=S SC-23134 [1,0,0,0,0,0|2,1,0]=4 17 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [1,0,0,0,0,0|3,0,0]=4 30 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.10 CNC(C)C(=O)OC SC-82127 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.10 COC(=O)C(C)CN SC-53925 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.10 COC(=O)C(C)CO SC-08906 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.10 COC(=O)C(C)CO SC-08907 [1,0,0,0,0,0|3,0,0]=4 38 B7R0.10 COC(=O)C(C)OC SC-92649 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [1,0,0,0,0,0|0,0,0]=1 41 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [1,0,0,0,0,0|0,0,1]=2 42 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [1,0,0,0,0,0|0,0,2]=3 47 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [1,0,0,0,0,0|2,0,1]=4 54 B9R0.27 COC(=O)C(=O)N(C)OC SC-33069 [0,1,0,0,0,0|2,0,0]=3 55 B9R0.41 CCC(CC)C(N)C(=O)O SC-59524 [0,1,0,0,0,0|1,0,1]=3 56 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,1,0,0,0,0|1,0,1]=3 58 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,0,0,1,0,0|1,0,1]=3 61 B6R0.1 CCOC(=O)CO SC-50412 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.2 CC(=O)NC(C)C SC-A3057 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(=O)OC(C)C SC-25616 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.2 CC(C)=CC(=O)O SC-16257 [2,0,0,0,0,0|0,0,1]=3 66 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.4 CCCCC(=O)Cl SC-46867 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.4 CC\C=C\C(=O)O SC-92876 [2,0,0,0,0,0|0,0,1]=3 72 B6R0.4 CNCCC(=O)O SC-27492 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.4 CNCCC(=O)O SC-52914 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 COCCC(=O)O SC-50255 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.4 CSCCC(=O)O SC-96567 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 NCCCC(=O)O SC-10045 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.4 O=C(O)CCCCl SC-89723 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 O=C(O)\C=C\CBr SC-53654 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.3 C=CC(C)C(=O)O SC-65769 [2,0,0,0,0,0|0,0,2]=4 80 B6R0.3 CC(C#N)C(=O)O SC-65741 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.3 CC(C)C(=N)NO SC-29781 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.3 CC(C)C(=O)CBr SC-21776 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.3 CC(C)C(=O)NN SC-82184 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.3 CC(CBr)C(=O)O SC-53016 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.3 CC(CN)C(=O)O SC-10095 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.3 CC(CN)C(=O)O SC-16443 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.3 CCC(F)C(=O)O SC-82839 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.3 CCC(N)C(=O)O SC-25570 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.3 CCC(N)C(N)=O SC-67619 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.3 CCC(S)C(=O)O SC-90417 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [2,0,0,0,0,0|0,0,0]=2 92 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.3 COC(=O)C(=O)Cl SC-27409 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.3 COC(=O)C(C)=O SC-15233 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.3 COC(C)C(=O)O SC-49776 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.3 NC(CO)C(=O)O SC-09828 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.3 NC(CS)C(=O)O SC-16429 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 NCC(N)C(=O)O SC-12518 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 NCC(N)C(=O)O SC-26817 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.3 NCC(O)C(=O)O SC-10335 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.3 O=C(O)C(=O)CBr SC-15238 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.3 O=C(O)C(Br)CBr SC-26969 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.3 O=C(O)C(O)CCl SC-83865 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [2,0,0,0,0,0|2,0,0]=4 121 B8R0.19 CN\C(C)=C/C(=O)OC SC-38289 [1,1,0,0,0,0|1,0,1]=4 122 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [1,1,0,0,0,0|0,0,2]=4 123 B8R0.3 CCCC(N)C(=O)OC SC-10383 [1,1,0,0,0,0|1,0,1]=4 124 B8R0.3 CCOC(=O)C(=N)NO SC-34339 [1,1,0,0,0,0|2,0,0]=4 125 B8R0.3 CCOC(=O)C(=O)CBr SC-15234 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.3 CCOC(=O)C(=O)CC SC-46250 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.3 CCOC(=O)\C(Cl)=N\O SC-19403 [1,1,0,0,0,0|2,0,0]=4 128 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [1,1,0,0,0,0|0,0,1]=3 129 B8R0.8 CCCCC(N)C(=O)O SC-10365 [1,1,0,0,0,0|1,0,1]=4 130 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [1,1,0,0,0,0|1,0,1]=4 132 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.8 NCCCC(N)C(=O)O SC-10385 [1,1,0,0,0,0|1,0,1]=4 134 B8R0.8 NCCCC(N)C(=O)O SC-48991 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [1,1,0,0,0,0|1,0,1]=4 136 B8R0.15 CCCC(CC)C(=O)O SC-82317 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1205 [1,1,0,0,0,0|1,0,1]=4 138 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1208 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1209 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.27 CC(C)(C)C(=O)C(=O)O SC-75151 [1,1,0,0,0,0|0,0,0]=2 141 B8R0.27 CC(C)(C)C(N)C(=O)O SC-10341 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SC-10342 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SC-10343 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.27 CC(C)(S)C(N)C(=O)O SC-11163 [1,1,0,0,0,0|1,0,1]=4 145 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.4 CC1CCCC(=O)N1 SC-90092 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.4 CC1CCNC(=O)C1 SC-65553 [1,0,0,1,0,0|1,0,1]=4 148 B8R1.18 CC1=CC(=O)OC1O SC-47793 [1,0,0,1,0,0|1,0,1]=4 149 B8R1.18 CC1OC(=O)OC1C SC-21491 [1,0,0,1,0,0|1,0,0]=3 150 B8R1.34 O=C(O)CC1CCC1 SC-26391 [1,0,0,1,0,0|0,0,1]=3 151 B8R1.34 O=C(O)CC1COC1 SC-70807 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.34 O=C(O)CN1CCC1 SC-A4384 [1,0,0,1,0,0|1,0,1]=4 153 B8R1.42 CC(=O)OC1(C)CC1 SC-91864 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.5 O=C1CCCCC1=O SC-46435 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.5 O=C1CCCCC1O SC-49144 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.7 O=C(O)C1CCCC1 SC-18675 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.7 O=C(O)C1CCCN1 SC-09807 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [1,0,0,1,0,0|0,0,2]=4 160 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [1,0,0,1,0,0|1,0,1]=4 161 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [1,0,0,1,0,0|0,0,2]=4 163 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [1,0,0,1,0,0|1,0,1]=4 165 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [1,0,0,1,0,0|0,0,0]=2 167 B8R1.78 CC1(C(=O)O)CCC1 SC-25545 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.78 NC1(C(=O)O)CCC1 SC-21579 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.78 NC1(C(=O)O)CCC1 SC-25077 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.78 NC1(C(=O)O)CCC1 SC-53797 [1,0,0,1,0,0|1,0,1]=4 171 B8R1.78 O=C(O)C1(Br)CCC1 SC-65747 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.38 O=C(CBr)C1CCC1 SC-23369 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.39 CC1(C(=O)NN)CC1 SC-45655 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.39 COC(=O)C1(C)CC1 SC-94041 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.50 C=C1CCN(C)C1=O SC-48828 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.50 CC1=C(O)C(=O)CC1 SC-74535 [1,0,0,1,0,0|0,0,2]=4 177 B10R1.194 CN1CCC(C(=O)O)C1=O SC-68665 [0,0,0,1,0,1|1,0,0]=3 178 B10R1.204 N[C@@H](CC1CCC1)C(=O)O SC-98743 [0,0,0,1,0,1|1,0,1]=4 179 B10R1.204 N[C@H](CC1CCC1)C(=O)O SC-98842 [0,0,0,1,0,1|1,0,1]=4 180 B10R1.23 NC(C(=O)O)C1CCCC1 SC-19466 [0,1,0,1,0,0|1,0,1]=4 181 B10R1.34 CCC1OC(=O)C(O)=C1C SC-06363 [0,1,0,1,0,0|0,0,2]=4 182 B10R1.61 CC1CCCCC1C(=O)O SC-13884 [0,1,0,1,0,0|1,0,1]=4 183 B10R1.61 CC1CCCNC1C(=O)O SC-14001 [0,1,0,1,0,0|1,0,1]=4 184 B10R0.57 NC(CS)C(=O)NCC(=O)O SC-B1610 [0,0,0,0,0,2|2,0,0]=4