0 B8R0.1 C=CCCC(=O)OCC AMY3888 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCC#CC(=O)OCC AMY1274 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.1 CCCC[C@H](N)CCO AM20080107 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.1 CCOC(=O)CCCBr AM84904 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.1 CCOC(=O)CCCN AM808169 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.1 CCOC(=O)CCCO AMY4323 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.1 CCOC(=O)\C=C\CBr AMF0008 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.1 CCOCC(=O)OCC AMY4116 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 OCCCOCCCl AM806608 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 C=CC(=O)NCCC AMY39214 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.3 CCCCC(=O)NN AMY3964 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.3 CCCOC(=O)CC AMY21939 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.3 CNCCC(=O)OC AMY4326 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.3 COC(=O)CCCN AM803145 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.3 COC(=O)CCCS AMY40461 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.7 C=C(OCC)OCC AM9861 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.7 C=CCC(=O)OCC AMY30553 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.7 CC#CC(=O)OCC AM86969 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.7 CCCC(=O)CCC AMY3807 [1,0,0,0,0,0|0,0,0]=1 19 B7R0.7 CCCC(N)CCC AMY3864 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.7 CCCC(O)CCC AMY23531 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.7 CCC[C@H](N)CCO AM20100578 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.7 CCNC(=O)NCC AMY25735 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.7 CCOC(=O)CC=O AMY18659 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.7 CCOC(=O)CCN AM803889 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.7 CCOC(=O)CCO AMY20483 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.7 CCOC(=O)CNC AM82644 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.7 CCOC(=O)CNC AMY3815 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.7 CCOC(=O)CNN AM20100649 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.7 CCOC(=O)COC AMY3969 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.7 CCOC(=O)CSC AMY33462 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.7 CCOC(=O)N=C=O AMY771 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.7 CCOC(=O)N=C=S AMY10862 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.7 CCOC(=O)OCC AMY11101 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.7 CCOC(=O)OCCl AMY14438 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.7 CCOC(=O)\C=C/N AM87196 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.7 CCOC(=O)\C=C\I AM805822 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.7 CCOP(C)OCC AMY758 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.7 CCOP(Cl)OCC AMY843 [1,0,0,0,0,0|3,0,0]=4 40 B7R0.7 CCOP([O-])OCC AMY7038 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.7 CCOS(=O)OCC AMY17996 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.7 O=C(CCCl)CCCl AMY9352 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.7 [C-]#[N+]CC(=O)OCC AMY403 [1,0,0,0,0,0|1,0,1]=3 44 B9R0.4 CCCCC(=O)CC(C)C AMY19268 [0,1,0,0,0,0|1,0,0]=2 45 B9R0.4 CCCC[C@H](O)CC(C)C AMY19262 [0,1,0,0,0,0|1,0,2]=4 46 B9R0.5 CCOC(=O)CCCC=O AM85359 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.5 CCOC(=O)CCCCBr AM20080354 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.5 CCO\C=C\C(=O)OCC AMY9319 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.5 CCO\N=C\C(=O)OCC AMY13649 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.5 COCCNC(=O)CC#N AM803247 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.8 C=CCOC(=O)[C@H](C)NC AM9086 [0,1,0,0,0,0|1,0,2]=4 52 B9R0.8 CCCCC(=O)N(C)OC AM90039 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.18 CCCCC(O)CCCC AMY19319 [0,1,0,0,0,0|1,0,2]=4 54 B9R0.18 CCCNC(=O)NCCC AMY853 [0,1,0,0,0,0|1,0,0]=2 55 B9R0.18 O=C(NCCCl)NCCCl AM806154 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.18 O=C(NCCO)NCCO AMY12229 [0,1,0,0,0,0|3,0,0]=4 57 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81437 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.34 CCOC(=O)C[C@H](O)CCl AM81438 [0,1,0,0,0,0|3,0,0]=4 59 B9R0.34 CCOC(=O)C[C@H](O)CCl AMY22171 [0,1,0,0,0,0|3,0,0]=4 60 B9R0.35 CCOC(=O)C(=O)OCC AMY37179 [0,1,0,0,0,0|3,0,0]=4 61 B9R0.35 CCOC(=O)[C@@H](N)CCO AMY38418 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.66 CCCSS(=O)(=O)CCC AMY21457 [0,1,0,0,0,0|1,1,0]=3 63 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [0,0,0,1,0,0|3,0,0]=4 64 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.2 O=C1COC[C@H](CO)N1 AMY21702 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.8 BrCCN1CCCCO1 AM806071 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.8 NCCC1=CCCCC1 AMY14247 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.8 NCCN1CCCCO1 AM806000 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.8 OCCN1CCCCO1 AM806477 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.12 NCCOC1CCCC1 AMY20123 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.12 NCCOC1CCCC1 AMY20124 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.15 CCC1CCCCC1O AM20070485 [0,0,0,1,0,0|1,0,2]=4 76 B9R1.15 CO[C@H]1CCCNC1=O AM20090301 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.15 CO[C@H]1COCCC1=O AMY33743 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.15 O=C[C@@H]1CCCCC1=O AM9963 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 AMY34444 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.27 CCC1=C(C)CNC1=O AM62801 [0,0,0,1,0,0|1,0,2]=4 81 B9R1.33 NCCN1CCCC1=O AMY19233 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.33 NCCN1CCNC1=O AMY26981 [0,0,0,1,0,0|3,0,0]=4 83 B9R1.33 O=C1CCCN1CCBr AM20210013 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.33 O=C1NCCN1CCBr AM806082 [0,0,0,1,0,0|3,0,0]=4 85 B9R1.33 O=C1NCCN1CCCl AMY784 [0,0,0,1,0,0|3,0,0]=4 86 B9R1.33 O=C1NCCN1CCO AMY802 [0,0,0,1,0,0|3,0,0]=4 87 B9R1.33 O=C1OCCN1CCBr AM85060 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.48 O=C1CCCCC(=O)C1 AM85496 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.49 CN1CCNC(=O)CC1 AM20120571 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.50 NC1CCCCCCC1 AMY14314 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.50 O=C1CCCCCCC1 AMY3996 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.50 O=C1CCCCCCN1 AM20100621 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.50 OC1CCCCCCC1 AMY39481 [0,0,0,1,0,0|1,0,2]=4 95 B9R1.69 CC1CC(=O)CCC1O AM806654 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.73 CCOC(=O)C1CCC1 AM20070593 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.73 CCOC(=O)C1CNC1 AM20100083 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.73 CCOC(=O)C1CNC1 AM85915 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.73 CCOC(=O)[C@@H]1CCN1 AMY6563 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.73 O=C(CCCl)N1CCC1 AM806404 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.75 CCOC(=O)C=C1CC1 AMY37969 [0,0,0,1,0,0|2,0,1]=4 102 B9R1.75 CCOC(=O)CC1CC1 AMY4002 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.100 CCCNC(=O)C1CC1 AMY790 [0,0,0,1,0,0|1,0,0]=2 104 B9R1.183 CCOC(=O)C1CC1F AMY5885 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F AMY5677 [0,0,0,1,0,0|3,0,0]=4 106 B6R0.6 CCCCCCC AMY22304 [2,0,0,0,0,0|0,0,1]=3 107 B6R0.6 CCCCCCN AMY21942 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.6 CCCCNCC AMY3985 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.6 CCOCCCN AMY21920 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.6 CCOCCCO AM20080058 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.6 CCOCOCC AMY25683 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.6 ClCCOCCCl AMY9389 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.6 NCCOCCN AMY7556 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.6 NCCOCCO AMY18064 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.6 OCCOCCBr AMY4498 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.6 OCCOCCCl AMY9387 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.1 C#CC(=O)OCC AM20100525 [2,0,0,0,0,0|0,0,2]=4 118 B6R0.1 C=CC(=O)OCC AMY40211 [2,0,0,0,0,0|0,0,2]=4 119 B6R0.1 CC#CC(=O)OC AMY1234 [2,0,0,0,0,0|0,0,2]=4 120 B6R0.1 CCC(=O)CC#N AMY10591 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.1 CCNC(=O)CCl AM802871 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.1 CCNC(=O)NC AM85700 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.1 CCOC(=N)CCl AMY15738 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.1 CCOC(=O)CBr AM20070701 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.1 CCOC(=O)CC AMY21941 [2,0,0,0,0,0|0,0,0]=2 126 B6R0.1 CCOC(=O)CN AM81786 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.1 CCOC(=O)NC AMY3767 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.1 CCOC(=O)NN AMY23328 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.1 CNCC(=O)OC AM82645 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.1 COC(=O)CCBr AMY21872 [2,0,0,0,0,0|1,0,0]=3 131 B6R0.1 COC(=O)CCN AM20090461 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.1 COC(=O)CCO AM85845 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.1 COC(=O)CSC AMY10908 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.1 COC(=O)OCCl AMY37648 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.1 COCC(=O)OC AMY4063 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.1 C\C=C\C(=O)OC AMY15442 [2,0,0,0,0,0|0,0,2]=4 137 B6R0.1 O=C(CCl)CCCl AM9592 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 C#CCOC(C)=O AM90264 [2,0,0,0,0,0|0,0,2]=4 139 B6R0.4 C=CCOC(C)=O AMY22115 [2,0,0,0,0,0|0,0,2]=4 140 B6R0.4 CC(=O)NCCN AMY40665 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 CCCCC(=O)[O-] AMY026 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.4 CCCOC(=O)Cl AMY3779 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.4 NC(=O)OCCCl AMY19018 [2,0,0,0,0,0|2,0,0]=4 144 B8R0.4 CCCCCCCCBr AMY9377 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.4 CCCCCCCCN AMY21876 [1,1,0,0,0,0|1,0,1]=4 146 B8R0.4 CCCCNCCCC AM20100543 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.4 CCCCNCCCC AMY21922 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.4 CCCCOCCCC AMY14888 [1,1,0,0,0,0|0,0,1]=3 149 B8R0.4 CCCCOCCCC AMY30969 [1,1,0,0,0,0|0,0,1]=3 150 B8R0.4 CCCCOCCCN AMY21912 [1,1,0,0,0,0|0,0,1]=3 151 B8R0.6 CCCCC[C@@H](Br)CC AMY12158 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.6 CCCCC[C@@H](O)CC AMY12157 [1,1,0,0,0,0|1,0,1]=4 153 B8R0.7 CCCCCC[C@H](C)N AMY21971 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.3 CCC[C@H](N)C(=O)OC AM82602 [1,1,0,0,0,0|2,0,0]=4 155 B8R0.3 CCOC(=O)C(=O)CC AM20080427 [1,1,0,0,0,0|2,0,0]=4 156 B8R0.8 C=C(C)C(=O)OCCCl AMY18680 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.8 C=C(C)C(=O)OCCN AM10040 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.8 C=C(C)C(=O)OCCN AM90246 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.19 CCC(=O)CC(=O)CC AMY8840 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.19 CC[C@H](O)CC(=O)OC AM85819 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.5 CC(C)OC(=O)OCCl AM20090681 [1,1,0,0,0,0|2,0,0]=4 163 B8R0.5 CCC[C@H](C)CC(C)C AMY6077 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.5 CCOC(=O)CC(=N)N AM803971 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.5 CCOC(=O)CC(=N)N AMY16018 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.5 CCOC(=O)CC(=O)Cl AM90203 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.5 CCOC(=O)CC(=O)[O-] AMY4053 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.5 CCOC(=O)CC(N)=O AMY2619 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.5 CCOC(=O)CN(C)C AMY3944 [1,1,0,0,0,0|1,0,0]=3 171 B8R0.5 CCOC(=O)C[C@H](C)Br AM9919 [1,1,0,0,0,0|0,0,0]=2 172 B8R0.5 CCOC(=O)C[C@H](C)N AMY314 [1,1,0,0,0,0|0,0,0]=2 173 B8R0.5 COCC(=O)OC(C)C AMY3876 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.22 CCCC(C#N)CCC AMY164 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.30 CCOP(=O)([O-])OCC AMY41494 [1,1,0,0,0,0|2,0,0]=4 176 B10R0.6 COCCOC(=O)CC(C)=O AMY25617 [0,2,0,0,0,0|0,0,1]=3 177 B10R0.32 CCOC(=O)C(=O)CC(C)C AM85684 [0,2,0,0,0,0|2,0,0]=4 178 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C AM81878 [0,2,0,0,0,0|2,0,0]=4 179 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C AM81879 [0,2,0,0,0,0|2,0,0]=4 180 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C AMY22057 [0,2,0,0,0,0|2,0,0]=4 181 B10R0.1 CCOC(=O)CCCCC=O AM85368 [0,2,0,0,0,0|2,0,0]=4 182 B10R0.1 CCOC(=O)CCCCCBr AMY18076 [0,2,0,0,0,0|2,0,0]=4 183 B10R0.1 CCOC(=O)CCCCCO AMY38458 [0,2,0,0,0,0|2,0,0]=4 184 B10R0.2 CCC\C(N)=C\C(=O)OCC AMY39750 [0,2,0,0,0,0|2,0,0]=4 185 B10R0.19 CCCCC(=O)C(=O)OCC AM85828 [0,2,0,0,0,0|1,0,1]=4 186 B10R0.19 CCCCC(=O)[C@@H](C)CCC AMY19310 [0,2,0,0,0,0|1,0,0]=3 187 B10R0.19 CCOC(=O)[C@@H](N)CCCN AM82631 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.19 CCOC(=O)[C@@H](N)CCSC AM81985 [0,2,0,0,0,0|2,0,0]=4 189 B10R0.19 CCOC(=O)[C@@H](N)CCSC AM81986 [0,2,0,0,0,0|2,0,0]=4 190 B10R0.83 CCCCOC(=O)[C@@H](O)CC AMY32055 [0,2,0,0,0,0|0,0,0]=2 191 B10R0.91 C#CCOC(=O)NCCCC AMY38451 [0,2,0,0,0,0|0,0,2]=4 192 B10R0.108 CCCC(=O)OC[C@@H](O)CO AMY22513 [0,2,0,0,0,0|0,0,0]=2 193 B10R0.108 CCOC(=O)CN[C@@H](C)CC AMY4118 [0,2,0,0,0,0|2,0,0]=4 194 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC AMY28715 [0,2,0,0,0,0|2,0,0]=4 195 B10R0.16 CCCCN(C=O)CCCC AMY3064 [0,2,0,0,0,0|2,0,0]=4 196 B10R0.109 CCOC(=O)CCC(C)(F)F AMY7145 [0,2,0,0,0,0|2,0,0]=4 197 B8R1.2 BrC[C@H]1CCCOC1 AM20080110 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.2 CC[C@@H]1CNCCO1 AMY21361 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.2 CC[C@@H]1COCCN1 AMY21373 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.2 CC[C@@H]1COCCN1 AMY21630 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.2 CC[C@H]1CNCCO1 AMY21360 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.2 CC[C@H]1CNCCO1 AMY21606 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.2 CC[C@H]1COCCN1 AMY21416 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.2 CC[C@H]1COCCN1 AMY21733 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.2 NC[C@H]1CCCCO1 AMY20116 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.2 NC[C@H]1CCCOC1 AMY36453 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.2 OC[C@H]1CCC=CO1 AMY22788 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.2 OC[C@H]1CCCCO1 AMY15433 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.2 OC[C@H]1CCCOC1 AM20080365 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.5 CC1COCCC1N AM91481 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.5 CC1COCCC1O AM101521 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.5 CC1COCCC1S AM99651 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.8 NCC[C@H]1CCCO1 AM20120396 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.22 C[C@H]1CCCNCC1 AM803851 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.36 CCCNCC1CC1 AMY2642 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.49 C1=CCCCCCC1 AMY11766 [1,0,0,1,0,0|1,0,0]=3 217 B8R1.49 C1=CCCCCCC1 AMY19666 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.1 NC[C@H]1CNC(=O)O1 AMY33861 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.3 CC1CCC(=O)CC1 AMY17977 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.3 CN1CCC(=O)CC1 AM20080337 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.3 NC1CCC(=O)CC1 AM101128 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.3 NC1CCC(=O)CC1 AMY42375 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [1,0,0,1,0,0|2,0,0]=4 235 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.3 O=C1CCC(F)CC1 AM20070506 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.3 O=C1CCC(O)CC1 AMY17986 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.38 CNC(=O)C1CCC1 AMY32244 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.38 COC(=O)C1CCC1 AM20070621 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.38 O=C(CBr)N1CCC1 AMY15408 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.38 O=C(CCl)N1CCC1 AM804165 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.40 COC(=O)CC1CC1 AMY34208 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.40 O=C(CCl)NC1CC1 AM86723 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [1,0,0,1,0,0|0,0,2]=4 246 B8R1.50 N[C@@H]1C(=O)OC[C@H]1O AMY41888 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.4 CC1CCCC(N)C1 AM20070507 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.4 CN1CCCC(=O)C1 AM20100357 [1,0,0,1,0,0|1,0,0]=3 250 B8R1.4 CN1CCNC(=O)C1 AMY22966 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [1,0,0,1,0,0|1,0,0]=3 252 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [1,0,0,1,0,0|2,0,0]=4 256 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.37 CCOC(=O)C1CC1 AMY3988 [1,0,0,1,0,0|0,0,0]=2 264 B8R1.37 CCOC(=O)[C@@H]1CO1 AMY5207 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.37 CCOC(=O)[C@H]1CO1 AMY31967 [1,0,0,1,0,0|1,0,0]=3 266 B8R1.37 N#CCC(=O)C1CC1 AM806869 [1,0,0,1,0,0|1,0,1]=4 267 B10R1.61 CC(=O)[C@@H]1CCCCC1=O AM9964 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.11 CCOC(=O)C1=CCCC1 AM802851 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.11 CCOC(=O)[C@@H]1CCCN1 AM82198 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.11 CCOC(=O)[C@@H]1CCCN1 AM82199 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.11 CCOC(=O)[C@@H]1CCCO1 AM9878 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.11 CCOC(=O)[C@@H]1CCNC1 AMY20462 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.11 CCOC(=O)[C@H]1CCNC1 AM20100791 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.11 CCOC(=O)[C@H]1CCNC1 AMY14721 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.29 O=C1CCCN1CCCBr AM85059 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.78 O=C1CCCCCCCC1 AM20090511 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.137 CCOC(=O)C=C1CCC1 AMY40990 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.137 CCOC(=O)CC1COC1 AM20020010 [0,1,0,1,0,0|2,0,0]=4 279 B10R1.138 CCCC(=O)OC[C@H]1CO1 AMY21880 [0,1,0,1,0,0|0,0,0]=2 280 B10R1.197 CCN1CCNC(=O)CC1 AMY13614 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.7 O=C1NCCCCC[C@@H]1Cl AMY2428 [0,1,0,1,0,0|1,0,0]=3 282 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O AMY24722 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@H]1O AMY24691 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.4 NCCN1CCCCC1=O AM806192 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.4 NCCN1CCCOC1=O AMY36543 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.4 O=C1CNCCN1CCO AMY36343 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.17 BrCCCN1CCCCO1 AM805966 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.2 CN1C(=O)CCC[C@@H]1CN AMY35058 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.2 CN1CCC[C@H](CO)C1=O AMY16162 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.140 CCOC(=O)C1CC(Br)C1 AMY35244 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.140 CCOC(=O)C1CC(F)C1 AM85606 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.140 CCOC(=O)C1CC(N)C1 AMY32164 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.140 CCOC(=O)C1CC(O)C1 AM20070597 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 AMY16052 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 AMY34462 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.140 CCOC(=O)[C@H]1C[C@H](N)C1 AMY16053 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.140 CCOC(=O)[C@H]1C[C@H](O)C1 AMY34111 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.212 CN(C(=O)CCN)C1CC1 AM806424 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.401 CCOC(=O)C1(Br)CCC1 AMY23810 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.113 CC(C)N1CCCC(=O)C1 AMY28844 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.302 O=C1CCCC(F)(F)CC1 AMY8756 [0,1,0,1,0,0|2,0,0]=4 302 B10R2.62 O=C1CN2CCC1CC2 AM86381 [0,0,0,2,0,0|2,0,0]=4 303 B10R2.62 O=C1CN2CCC1CC2 AMY25660 [0,0,0,2,0,0|2,0,0]=4 304 B10R2.62 O=C1NC2CCC1CC2 AMY202100070 [0,0,0,2,0,0|1,0,0]=3 305 B10R2.71 O=C1CC2CCC(C1)C2 AMY34044 [0,0,0,2,0,0|1,0,0]=3 306 B10R2.71 O=C1CC2CCC(C1)N2 AM20090310 [0,0,0,2,0,0|2,0,0]=4 307 B10R2.71 O=C1CC2CCC(C1)O2 AMY34022 [0,0,0,2,0,0|2,0,0]=4 308 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 AMY581 [0,0,0,2,0,0|2,0,0]=4 309 B10R2.534 O=C1COCC2(CC2)N1 AMY26433 [0,0,0,2,0,0|2,0,0]=4 310 B10R2.2 O=C1C[C@@H]2CNC[C@@H]2C1 AMY35203 [0,0,0,2,0,0|2,0,0]=4 311 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 AMY23579 [0,0,0,2,0,0|2,0,0]=4 312 B10R2.178 O=C1CCC2CCC1C2 AM20070492 [0,0,0,2,0,0|1,0,0]=3 313 B10R2.178 O=C1NCC2CC[C@@H]1N2 AMY23866 [0,0,0,2,0,0|2,0,0]=4 314 B10R2.178 O=C1NCC2CC[C@H]1N2 AMY23865 [0,0,0,2,0,0|2,0,0]=4 315 B10R2.41 O=C1C2CCC1CNC2 AMY35145 [0,0,0,2,0,0|2,0,0]=4