0 B9R0.2 CCCCCCCC(=O)[O-] AMY19799 [1,0,0,0,0,0|0,0,1]=2 1 B9R0.2 CCCCCCOC(=O)Cl AMY4168 [1,0,0,0,0,0|2,0,0]=3 2 B9R0.2 NCCCCCCC(=O)O AM20120334 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.2 O=C(O)CCCCCCBr AMY10966 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.2 O=C(O)CCCCCCO AM20090595 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.2 O=C(O)CNCCCCO AM806410 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.2 [N-]=[N+]=NCCCCC(=O)O AMY21580 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.18 CCCCC(O)CCCC AMY19319 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.75 CN1CC[C@H](NCC(=O)O)C1 AM91332 [0,0,0,1,0,0|2,0,0]=3 9 B11R1.75 CN1CC[C@H](NCC(=O)O)C1 AM95507 [0,0,0,1,0,0|2,0,0]=3 10 B11R1.75 CN1CC[C@H](NCC(=O)O)C1 AM95841 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.75 CN1CC[C@H](OCC(=O)O)C1 AM93114 [0,0,0,1,0,0|2,0,0]=3 12 B11R1.75 CN1CC[C@H](OCC(=O)O)C1 AM95062 [0,0,0,1,0,0|2,0,0]=3 13 B11R1.75 CN1CC[C@H](OCC(=O)O)C1 AM95502 [0,0,0,1,0,0|2,0,0]=3 14 B11R1.86 CC(=O)NC1CCCCC1N AM91541 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.86 CC(=O)OC1CCCCC1C AMY307 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.86 O=C(O)CN1CCCCC1=O AM807141 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.91 CC(=O)NC[C@H]1CCCCN1 AM101776 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.91 CC(=O)NC[C@H]1CCCNC1 AM101543 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.91 O=C(O)CCC1CCCCC1 AMY3571 [0,0,0,1,0,0|0,0,0]=1 20 B11R1.91 O=C(O)CCC1CCNCC1 AM100415 [0,0,0,1,0,0|1,0,0]=2 21 B11R1.91 O=C(O)CCN1CCCCC1 AMY21698 [0,0,0,1,0,0|1,0,0]=2 22 B11R1.91 O=C(O)CCN1CCOCC1 AMY21696 [0,0,0,1,0,0|2,0,0]=3 23 B11R1.91 O=C(O)CC[C@H]1CCCCN1 AM100796 [0,0,0,1,0,0|1,0,0]=2 24 B11R1.91 O=C(O)CC[C@H]1CCCNC1 AM100414 [0,0,0,1,0,0|1,0,0]=2 25 B11R1.91 O=C(O)CNC1CCCCC1 AM83646 [0,0,0,1,0,0|1,0,0]=2 26 B11R1.167 C[C@@H]1CCN(C)[C@@H](C(=O)O)C1 AMY270 [0,0,0,1,0,0|1,0,0]=2 27 B8R0.4 CCCCCCCCBr AMY9377 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.4 CCCCCCCCN AMY21876 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.4 NCCCCCCCO AMY18876 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.4 OCCCCCCCBr AM20070667 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.4 OCCCCCCCO AMY22642 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.7 C=CCCCCC(=O)O AMY7501 [2,0,0,0,0,0|0,0,2]=4 33 B8R0.7 CC(=O)CCCCCBr AMY24068 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.7 CCCCCCB(O)O AMY30011 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.7 CCCCCCC(=O)O AMY41347 [2,0,0,0,0,0|0,0,0]=2 36 B8R0.7 NCCCCCC(=O)O AM82438 [2,0,0,0,0,0|1,0,0]=3 37 B8R0.7 NCCCCCC(=O)O AMY977 [2,0,0,0,0,0|1,0,0]=3 38 B8R0.7 NCCOCCC(=O)O AMY4548 [2,0,0,0,0,0|2,0,0]=4 39 B8R0.7 O=C(Cl)CCCCCBr AMY14557 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.7 O=C(O)CCCCCBr AM20100119 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.7 O=C(O)CCCCCO AM10824 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.7 O=C(O)CCOCCO AMY4563 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.7 O=CCCCCC(=O)O AM84276 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.1 CCCC[C@H](N)CCO AM20080107 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [2,0,0,0,0,0|1,0,1]=4 46 B10R0.3 CCC[C@H](S)CCOC(C)=O AMY24734 [1,1,0,0,0,0|2,0,0]=4 47 B10R0.3 CCOC(=O)CCCC(=O)O AMY3769 [1,1,0,0,0,0|1,0,1]=4 48 B10R0.4 CCCCCCCCB(O)O AMY30008 [1,1,0,0,0,0|1,0,1]=4 49 B10R0.4 CCCCCCCOC(=O)Cl AMY3945 [1,1,0,0,0,0|1,0,0]=3 50 B10R0.4 CCCCCCOCC(=O)O AMY3242 [1,1,0,0,0,0|0,0,0]=2 51 B10R0.4 NCCOCCOCC(=O)O AMY3343 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.4 NCCOCCOCC(=O)O AMY3347 [1,1,0,0,0,0|2,0,0]=4 53 B10R0.4 O=C(O)CCCCCCCBr AMY31536 [1,1,0,0,0,0|0,0,0]=2 54 B10R0.4 O=C(O)CCCCCCCO AMY5109 [1,1,0,0,0,0|0,0,0]=2 55 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O AMY21582 [1,1,0,0,0,0|2,0,0]=4 56 B10R0.22 CCCCCCCS(=O)(=O)[O-] AMY39387 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.22 NCCCCCCP(=O)(O)O AMY31173 [1,1,0,0,0,0|2,0,0]=4 58 B10R0.22 O=P(O)(O)CCCCCCBr AMY31174 [1,1,0,0,0,0|2,0,0]=4 59 B10R0.55 COC(=O)CCCCC(=O)O AM20100535 [1,1,0,0,0,0|1,0,1]=4 60 B10R0.74 COC(=O)CCCCCC=O AM85741 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.74 COC(=O)CCCCCCN AM803390 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.74 COC(=O)CCCCCCN AM82449 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.74 COC(=O)CCCCCCO AM62806 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.75 CCCCCC[C@H](C)C(=O)O AMY25632 [1,1,0,0,0,0|0,0,0]=2 65 B10R0.75 CNCCCC[C@H](N)C(=O)O AMY6912 [1,1,0,0,0,0|1,0,0]=3 66 B10R0.97 O=C(O)CCCCCC(=O)O AM20080056 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.91 CCCC[C@H](O)COCCO AMY33452 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O AMY2449 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.44 COC(=O)C[C@@H](C)CC(=O)O AMY3921 [0,1,0,0,1,0|1,0,1]=4 70 B10R0.44 COC(=O)C[C@H](C)CC(=O)O AMY4069 [0,1,0,0,1,0|1,0,1]=4 71 B12R0.101 CCCC[C@H](C)CCC(=O)OCC AMY40797 [0,2,0,0,0,0|0,0,0]=2 72 B10R1.18 NC(=O)CC1CCNCC1 AMY2682 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.18 NC(=O)CC1CCOCC1 AMY11634 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.18 NC(=O)NC1CCCCC1 AMY202100117 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.18 O=C(O)CC1CCCCC1 AMY31936 [1,0,0,1,0,0|0,0,0]=2 76 B10R1.18 O=C(O)CC1CCNCC1 AM20100706 [1,0,0,1,0,0|1,0,0]=3 77 B10R1.18 O=C(O)CC1CCOCC1 AM20110221 [1,0,0,1,0,0|1,0,0]=3 78 B10R1.18 O=C(O)CN1CCCCC1 AMY20084 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.18 O=C(O)CN1CCNCC1 AM10442 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.18 O=C(O)CN1CCNCC1 AMY21781 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.18 O=C(O)CN1CCOCC1 AM20090469 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.18 O=C(O)CN1CCOCC1 AMY23804 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.18 O=C(O)C[C@H]1CCCCO1 AMY6072 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.18 O=C(O)C[C@H]1CCCNC1 AM101219 [1,0,0,1,0,0|1,0,0]=3 85 B10R1.18 O=C(O)C[C@H]1CNCCN1 AMY25019 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.18 O=C(O)C[C@H]1CNCCO1 AM20090064 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.61 CN1CCCC[C@@H]1C(=O)O AMY16116 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.61 CN1CCCC[C@H]1C(=O)O AM804349 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.61 CN1CCCC[C@H]1C(=O)O AMY16310 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.61 CN1CCCC[C@H]1C(=O)O AMY21392 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.61 CN1CCOC[C@@H]1C(=O)O AM807089 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.61 CN1CCOC[C@H]1C(=O)O AM807090 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.61 O=C(O)C1CCNCC1F AM807101 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.66 O=C(O)CCC1CCCC1 AM84371 [1,0,0,1,0,0|0,0,0]=2 95 B10R1.66 O=C(O)CCC1OCCO1 AMY9437 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.66 O=C(O)CCN1CCCC1 AM804331 [1,0,0,1,0,0|1,0,0]=3 97 B10R1.66 O=C(O)COC1CCCC1 AMY4677 [1,0,0,1,0,0|1,0,0]=3 98 B10R1.78 O=C1CCCCCCCC1 AM20090511 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.348 O=C(Cl)C1CCCCCC1 AMY21682 [1,0,0,1,0,0|1,0,0]=3 100 B10R1.348 O=C(O)C1CCCCCC1 AM20080348 [1,0,0,1,0,0|0,0,0]=2 101 B10R1.348 O=C(O)[C@@H]1CCCCCN1 AM20100286 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.348 O=C(O)[C@@H]1CNCCCO1 AMY20191 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.17 CCCCC1CCNCC1 AM20090599 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.17 CCCCC1CCNCC1 AM807077 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.17 NCCCC1CCCCC1 AMY23927 [1,0,0,1,0,0|1,0,1]=4 106 B10R1.17 O=CCO[C@@H]1CCCCO1 AMY2069 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.17 OCCCC1CCNCC1 AM100294 [1,0,0,1,0,0|1,0,1]=4 108 B10R1.17 OCCCC1CCNCC1 AMY34788 [1,0,0,1,0,0|1,0,1]=4 109 B10R1.17 OCCC[C@H]1CCCCN1 AM101541 [1,0,0,1,0,0|1,0,1]=4 110 B10R1.17 OCCC[C@H]1CCCNC1 AM100426 [1,0,0,1,0,0|1,0,1]=4 111 B10R1.1 CCCC1CCC(=O)CC1 AMY3573 [1,0,0,1,0,0|1,0,0]=3 112 B10R1.1 CCCC1CCC(O)CC1 AMY3575 [1,0,0,1,0,0|1,0,1]=4 113 B10R1.1 CCCN1CCC(=O)CC1 AM20090245 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AM807082 [1,0,0,1,0,0|1,0,0]=3 115 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AMY2426 [1,0,0,1,0,0|1,0,0]=3 116 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AMY34421 [1,0,0,1,0,0|1,0,0]=3 117 B10R1.113 CN1CCC[C@H](C(N)=O)C1 AMY2429 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 AMY21985 [1,0,0,1,0,0|1,0,0]=3 119 B10R1.113 NC1CCCC(C(=O)O)C1 AM9709 [1,0,0,1,0,0|1,0,0]=3 120 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AMY41372 [1,0,0,1,0,0|1,0,0]=3 121 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AM9711 [1,0,0,1,0,0|1,0,0]=3 122 B10R1.113 O=C(O)C1CCCC(O)C1 AM9713 [1,0,0,1,0,0|1,0,0]=3 123 B10R1.113 O=C(O)C1CNCC(O)C1 AMY20395 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.113 O=C(O)C1CNCC(O)C1 AMY4388 [1,0,0,1,0,0|2,0,0]=4 125 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 AMY35679 [1,0,0,1,0,0|1,0,0]=3 126 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 AMY19013 [1,0,0,1,0,0|1,0,1]=4 127 B10R1.54 O=C(O)CN1CC[C@H](Br)C1 AM92951 [0,0,0,1,1,0|2,0,0]=4 128 B10R1.54 O=C(O)CN1CC[C@H](Cl)C1 AM93985 [0,0,0,1,1,0|2,0,0]=4 129 B10R1.54 O=C(O)CN1CC[C@H](I)C1 AM94389 [0,0,0,1,1,0|2,0,0]=4 130 B10R1.54 O=C(O)CN1CC[C@H](O)C1 AM100585 [0,0,0,1,1,0|2,0,0]=4 131 B10R1.54 O=C(O)CN1CC[C@H](O)C1 AM91138 [0,0,0,1,1,0|2,0,0]=4 132 B10R1.54 O=C(O)CN1CC[C@H](O)C1 AM91139 [0,0,0,1,1,0|2,0,0]=4 133 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 AMY26021 [0,0,0,1,1,0|1,0,1]=4 134 B12R1.105 CN1CC[C@H](CNCC(=O)O)C1 AM91050 [0,0,0,1,0,1|1,0,0]=3 135 B12R1.105 CN1CC[C@H](COCC(=O)O)C1 AM92308 [0,0,0,1,0,1|1,0,0]=3 136 B12R1.252 O=C(O)CCCC1CCNCC1 AM20110211 [0,0,0,1,0,1|1,0,0]=3 137 B12R1.252 O=C(O)\C=C\CN1CCCCC1 AMY7052 [0,0,0,1,0,1|1,0,1]=4 138 B12R1.337 CCNC[C@H]1CCN(C(C)=O)C1 AM93726 [0,0,0,1,0,1|2,0,0]=4 139 B12R1.1 CCCCCC1CCC(=O)CC1 AMY3574 [0,1,0,1,0,0|1,0,0]=3 140 B12R1.1 CCCCCC1CCC(O)CC1 AMY3576 [0,1,0,1,0,0|1,0,1]=4 141 B12R1.1 COCCCN1CCC(=O)CC1 AM85325 [0,1,0,1,0,0|2,0,0]=4 142 B12R1.226 CN1CCC[C@H](NCC(=O)O)C1 AM93110 [0,1,0,1,0,0|1,0,0]=3 143 B12R1.226 CN1CCC[C@H](NCC(=O)O)C1 AM95911 [0,1,0,1,0,0|1,0,0]=3 144 B12R1.226 CN1CCC[C@H](NCC(=O)O)C1 AM96185 [0,1,0,1,0,0|1,0,0]=3 145 B12R1.226 CN1CCC[C@H](OCC(=O)O)C1 AM101649 [0,1,0,1,0,0|1,0,0]=3 146 B12R1.226 CN1CCC[C@H](OCC(=O)O)C1 AM95788 [0,1,0,1,0,0|1,0,0]=3 147 B12R1.226 CN1CCC[C@H](OCC(=O)O)C1 AM96222 [0,1,0,1,0,0|1,0,0]=3 148 B12R1.1566 CCOC(=O)C1CC(C(=O)O)C1 AM9553 [0,1,0,1,0,0|1,0,1]=4 149 B12R1.103 CN1CC[C@H](N(C)CC(=O)O)C1 AM94184 [0,1,0,1,0,0|2,0,0]=4 150 B12R1.103 CN1CC[C@H](N(C)CC(=O)O)C1 AM95516 [0,1,0,1,0,0|2,0,0]=4 151 B12R1.103 CN1CC[C@H](N(C)CC(=O)O)C1 AM95830 [0,1,0,1,0,0|2,0,0]=4 152 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 AM803140 [0,1,0,1,0,0|0,0,0]=2 153 B12R1.27 COC(=O)CCC1CCNCC1 AM101187 [0,1,0,1,0,0|1,0,0]=3 154 B12R1.27 COC(=O)CC[C@H]1CCCCN1 AM100975 [0,1,0,1,0,0|1,0,0]=3 155 B12R1.27 COC(=O)CC[C@H]1CCCNC1 AM101436 [0,1,0,1,0,0|1,0,0]=3 156 B12R1.27 COC(=O)CNC1CCCCC1 AM83654 [0,1,0,1,0,0|1,0,0]=3 157 B12R1.21 CN1CCC(NCC(=O)O)CC1 AM101360 [0,1,0,1,0,0|2,0,0]=4 158 B12R1.21 CN1CCC(OCC(=O)O)CC1 AM91184 [0,1,0,1,0,0|2,0,0]=4 159 B12R1.21 CN1CCN(CCC(=O)O)CC1 AM804354 [0,1,0,1,0,0|2,0,0]=4 160 B12R1.21 O=C(O)CNC1CCC(=O)CC1 AM93658 [0,1,0,1,0,0|1,0,1]=4 161 B12R1.21 O=C(O)CNC1CCC(Br)CC1 AM94826 [0,1,0,1,0,0|1,0,0]=3 162 B12R1.21 O=C(O)CNC1CCC(Cl)CC1 AM93467 [0,1,0,1,0,0|1,0,0]=3 163 B12R1.21 O=C(O)CNC1CCC(I)CC1 AM94393 [0,1,0,1,0,0|1,0,0]=3 164 B12R1.21 O=C(O)CNC1CCC(O)CC1 AM91079 [0,1,0,1,0,0|1,0,0]=3 165 B12R1.233 C[C@H]1CN(C)CCN1CC(=O)O AM94015 [0,1,0,1,0,0|2,0,0]=4 166 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O AMY22608 [0,1,0,1,0,0|1,0,0]=3 167 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O AM83638 [0,1,0,1,0,0|0,0,0]=2 168 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O AMY22674 [0,1,0,1,0,0|0,0,0]=2 169 B12R1.75 CNC1CCCCC1NC(C)=O AM92090 [0,1,0,1,0,0|2,0,0]=4 170 B12R1.75 O=C(O)CN1CCCC[C@@H]1CBr AM94277 [0,1,0,1,0,0|1,0,0]=3 171 B12R1.75 O=C(O)CN1CCCC[C@@H]1CCl AM92421 [0,1,0,1,0,0|1,0,0]=3 172 B12R1.75 O=C(O)CN1CCCC[C@@H]1CI AM94830 [0,1,0,1,0,0|1,0,0]=3 173 B12R1.75 O=C(O)CN1CCCC[C@@H]1CO AM91202 [0,1,0,1,0,0|1,0,0]=3 174 B12R2.24 O=C1CCC2CCCCC2N1 AMY15967 [0,0,0,2,0,0|1,0,0]=3 175 B12R2.24 O=C1CCC2CCCNC2C1 AM806886 [0,0,0,2,0,0|2,0,0]=4 176 B12R2.1175 O=C1CCC2(CCOC2)CC1 AMY33622 [0,0,0,2,0,0|2,0,0]=4 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[0,0,0,0,2,0|2,0,0]=4 193 B8R0.8 NCCC[C@H](N)C(=O)O AM20080016 [0,0,0,0,2,0|2,0,0]=4 194 B8R0.8 NCCC[C@H](N)C(=O)O AM20090455 [0,0,0,0,2,0|2,0,0]=4 195 B8R0.8 NCCC[C@H](N)C(=O)O AM82603 [0,0,0,0,2,0|2,0,0]=4