0 B8R0.2 CCC(C)C(N)C(=O)O SY022340 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O SY022277 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O SY022276 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O SY022275 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O SY275536 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O SY017751 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O SY036248 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O SY075986 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O SY075565 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO SY030313 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO SY211984 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.2 CC(CCl)CC(=O)Cl SY027797 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 CCC(C)CC(=O)Cl SY265619 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.2 CCC(C)CC(C)N SY018617 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.2 CN(C=O)CC(=O)O SY224496 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.2 COC(=O)CC(=O)O SY046546 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.2 O=C([O-])CC(O)CO SY296011 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 C#CCC(N)C(=O)O SY139497 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.5 C#CC[C@@H](N)C(=O)O SY105090 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 C=CCC(C)C(=O)O SY048335 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.5 C=CCC(N)C(=O)O SY052428 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.5 CC(=O)C(C)CCBr SY247638 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.5 CC(CCCl)C(=O)Cl SY027796 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.5 CC=CC(C)C(=O)O SY254091 [1,0,0,0,0,0|1,0,2]=4 27 B7R0.5 CCCC(=O)C(N)=O SY251044 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 CCCC(N)C(=O)O SY035722 [1,0,0,0,0,0|0,0,0]=1 29 B7R0.5 CCCC(O)C(N)=O SY251045 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 CCCN(C)C(=O)Cl SY042518 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [1,0,0,0,0,0|0,0,0]=1 32 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [1,0,0,0,0,0|0,0,0]=1 33 B7R0.5 CCOC(=O)C(=O)O SY257067 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.5 CCOC(C)C(=O)O SY040144 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 CNC[C@H](N)C(=O)O SY013432 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 COCC(N)C(=O)O SY034134 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.5 COC[C@H](N)C(=O)O SY114490 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.5 NC(CCO)C(=O)O SY005812 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.5 NCCC(N)C(=O)O SY005642 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.5 NCC[C@@H](N)C(=O)O SY005641 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.5 NCC[C@H](N)C(=O)O SY005640 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.5 N[C@@H](CCO)C(=O)O SY005811 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.5 N[C@@H](CCS)C(=O)O SY026382 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.5 N[C@H](CCO)C(=O)O SY014844 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.10 CC[C@H](C)[C@H](N)CF SY045877 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.10 CC[C@H](C)[C@H](N)CO SY014111 [1,0,0,0,0,0|0,0,1]=2 49 B7R0.16 CC(C)C(=O)C(=O)O SY005235 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.16 CC(C)C(N)C(N)=O SY047906 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [1,0,0,0,0,0|0,0,0]=1 53 B7R0.16 CC(C)[C@@H](N)C(N)=O SY024218 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [1,0,0,0,0,0|1,0,0]=2 55 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [1,0,0,0,0,0|0,0,0]=1 56 B7R0.16 CC(C)[C@H](N)C(N)=O SY024217 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.16 CN(C)C(=O)C(=O)O SY050473 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [1,0,0,0,0,0|1,0,0]=2 60 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SY034086 [1,0,0,0,0,0|2,0,0]=3 61 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [1,0,0,0,0,0|1,0,0]=2 62 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [1,0,0,0,0,0|1,0,0]=2 63 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC SY024621 [0,1,0,0,0,0|0,0,0]=1 64 B9R0.27 COC(=O)C(Br)C(C)OC SY290708 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O SY240703 [0,1,0,0,0,0|0,0,0]=1 66 B9R0.32 CC(C)(CN)C(O)C(=O)O SY265764 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O SY104814 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SY254571 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.41 CN1CCC[C@@H]1C(=O)O SY004606 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.41 CN1CCC[C@@H]1C(=O)O SY012525 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.41 CN1CCC[C@H]1C(=O)O SY004607 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.41 CN1CCC[C@H]1C(=O)O SY004777 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O SY024590 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O SY024589 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O SY007714 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.110 C[C@@H](C(=O)O)C1CCC1 SY299884 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.110 C[C@H](C(=O)O)C1CCC1 SY299883 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.110 NC(C(=O)O)C1CCC1 SY097683 [0,0,0,1,0,0|0,0,0]=1 79 B9R1.110 O=C(O)C(=O)N1CCC1 SY272363 [0,0,0,1,0,0|2,0,1]=4 80 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O SY074228 [0,0,0,0,0,1|0,0,0]=1 81 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SY026157 [0,0,0,0,0,1|2,0,1]=4 82 B9R0.23 COC(=O)[C@H](N)CC(=O)O SY076701 [0,0,0,0,0,1|2,0,1]=4 83 B9R0.42 COC(=O)CC(N)C(=O)O SY113561 [0,0,0,0,0,1|2,0,1]=4 84 B9R0.42 COC(=O)C[C@@H](N)C(=O)O SY102003 [0,0,0,0,0,1|2,0,1]=4 85 B9R0.42 COC(=O)C[C@H](N)C(=O)O SY030362 [0,0,0,0,0,1|2,0,1]=4 86 B9R0.42 NCC(=O)CC(N)C(=O)O SY273545 [0,0,0,0,0,1|2,0,1]=4 87 B6R0.1 C=CC(O)CCC SY048915 [2,0,0,0,0,0|2,0,0]=4 88 B6R0.1 CCCC(O)CO SY032914 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.1 CCC[C@@H](N)CF SY045881 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.1 CCC[C@@H](N)CO SY038521 [2,0,0,0,0,0|0,0,1]=3 91 B6R0.1 CCC[C@H](N)CF SY045882 [2,0,0,0,0,0|1,0,1]=4 92 B6R0.1 CCC[C@H](N)CO SY017944 [2,0,0,0,0,0|0,0,1]=3 93 B6R0.1 O=CC[C@H](O)CCl SY285776 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.2 CC(=O)NC(C)C SY107538 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.2 CC(C)CB(O)O SY002441 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.2 CC(N)CC(=O)O SY022577 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.2 CN(C)CC(=O)O SY001194 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.2 CN(C)CC(=O)O SY005006 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.2 C[C@H](N)CC(=O)O SY022578 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.2 C[C@H](N)CC(=O)O SY025782 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.4 CC(=O)CCCO SY002852 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 CCCCB(O)O SY012742 [2,0,0,0,0,0|1,0,1]=4 107 B6R0.4 CCCCC(=N)N SY020380 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 CCCCC(=N)N SY020382 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 CCCOC(N)=O SY114484 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.4 CNCCC(=O)O SY005345 [2,0,0,0,0,0|1,0,0]=3 111 B6R0.4 CNCCC(=O)O SY112486 [2,0,0,0,0,0|1,0,0]=3 112 B6R0.4 COCCC(=O)O SY028921 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.4 N#CCCC(=O)O SY008516 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.4 NCCCC(N)=O SY174709 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.4 O=C(O)CCCBr SY001501 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.3 CC(C)C(N)CF SY045876 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.3 CC(C)C(N)CO SY006455 [2,0,0,0,0,0|0,0,1]=3 118 B6R0.3 CC(C)[C@@H](N)CF SY045875 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.3 CC(C)[C@@H](N)CO SY006320 [2,0,0,0,0,0|0,0,1]=3 120 B6R0.3 CC(C)[C@H](N)CF SY045871 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.3 CC(C)[C@H](N)CO SY003828 [2,0,0,0,0,0|0,0,1]=3 122 B6R0.3 CCC(=O)C(=O)O SY011034 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.3 CCC(Br)C(N)=O SY031102 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.3 CCC(C)B(O)O SY030879 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.3 CCC(N)C(=O)O SY005223 [2,0,0,0,0,0|0,0,0]=2 126 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [2,0,0,0,0,0|0,0,0]=2 129 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [2,0,0,0,0,0|1,0,0]=3 131 B6R0.3 CC[C@H](N)C(=O)O SY002291 [2,0,0,0,0,0|0,0,0]=2 132 B6R0.3 CC[C@H](N)C(N)=O SY020529 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.3 CC[C@H](O)C(=O)O SY066872 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.3 CNC(C)C(=O)O SY006014 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.3 CN[C@H](C)C(=O)O SY024216 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.3 COC(C)C(=O)O SY034306 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.3 C[C@H](CN)C(=O)O SY020274 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.3 C[C@H](CN)C(=O)O SY105716 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.3 NC(CO)C(=O)O SY003812 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.3 NC(CS)C(=O)O SY009625 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.3 NCC(Br)C(=O)O SY297906 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.3 NCC(N)C(=O)O SY017516 [2,0,0,0,0,0|1,0,0]=3 150 B6R0.3 NCC(O)C(=O)O SY007745 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.3 NC[C@H](N)C(=O)O SY017515 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.3 NC[C@H](O)C(=O)O SY013665 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [2,0,0,0,0,0|1,0,0]=3 155 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.3 N[C@H](CO)C(=O)O SY005114 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.3 N[C@H](CS)C(=O)O SY033289 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.3 N[C@H](CS)C(=O)O SY033653 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.3 O=C(O)C(Br)CO SY261671 [2,0,0,0,0,0|2,0,0]=4 162 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [2,0,0,0,0,0|2,0,0]=4 163 B8R0.5 CCCC(C)OC(=O)Cl SY285574 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.5 CCOC(=O)CC(=O)O SY003789 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.19 CCC(=O)CC(=O)OC SY007180 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.19 COC(=O)C[C@H](O)CO SY018663 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.23 CC(=O)N(C)CC(=O)O SY168740 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.23 CC(C)C(N)CC(=O)O SY016724 [1,1,0,0,0,0|1,0,0]=3 169 B8R0.23 CC(C)[C@@H](N)CC(=O)O SY064256 [1,1,0,0,0,0|1,0,0]=3 170 B8R0.23 CC(C)[C@H](N)CC(=O)O SY077258 [1,1,0,0,0,0|1,0,0]=3 171 B8R0.23 CC(CC(=O)O)C(=O)O SY036933 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SY104041 [1,1,0,0,0,0|1,0,1]=4 173 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O SY254067 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.34 CCS(=O)(=O)CC(=O)O SY028838 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.3 CNCC(Br)C(=O)OC SY290771 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.3 CNC[C@H](N)C(=O)OC SY248365 [1,1,0,0,0,0|1,0,0]=3 177 B8R0.3 COC(=O)C(Br)CCBr SY017663 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.8 C=CCC[C@@H](N)C(=O)O SY254077 [1,1,0,0,0,0|0,0,1]=3 179 B8R0.8 CCCCC(N)C(=O)O SY038236 [1,1,0,0,0,0|0,0,0]=2 180 B8R0.8 CCCC[C@@H](N)C(=O)O SY062052 [1,1,0,0,0,0|0,0,0]=2 181 B8R0.8 CCCC[C@H](N)C(=O)O SY036145 [1,1,0,0,0,0|0,0,0]=2 182 B8R0.8 CSCC[C@@H](N)C(=O)O SY004418 [1,1,0,0,0,0|0,0,0]=2 183 B8R0.8 NCCCC(N)C(=O)O SY005810 [1,1,0,0,0,0|0,0,0]=2 184 B8R0.8 NCCC[C@@H](N)C(=O)O SY007936 [1,1,0,0,0,0|0,0,0]=2 185 B8R0.8 NCCC[C@H](N)C(=O)O SY005520 [1,1,0,0,0,0|0,0,0]=2 186 B8R0.8 NCCC[C@H](N)C(=O)O SY066991 [1,1,0,0,0,0|0,0,0]=2 187 B8R0.8 N[C@@H](CCCO)C(=O)O SY269711 [1,1,0,0,0,0|0,0,0]=2 188 B8R0.12 CCOC(C)(C)C(=O)O SY013215 [1,1,0,0,0,0|2,0,0]=4 189 B8R0.12 CNCC(F)(F)C(=O)O SY016720 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.15 CCCC(OC)C(=O)O SY057656 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.15 CCOC(CC)C(=O)O SY057654 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.18 CC(=O)C(C#N)C(C)C SY286676 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.18 CC(C)[C@@H](CN)C(=O)O SY127504 [1,1,0,0,0,0|0,0,0]=2 194 B8R0.18 CC(C)[C@@H](CN)C(=O)O SY254289 [1,1,0,0,0,0|0,0,0]=2 195 B8R0.18 CC(C)[C@H](CN)C(=O)O SY111098 [1,1,0,0,0,0|0,0,0]=2 196 B8R0.18 CC(C)[C@H](CN)C(=O)O SY254291 [1,1,0,0,0,0|0,0,0]=2 197 B8R0.18 COC(C(=O)O)C(C)C SY057657 [1,1,0,0,0,0|1,0,0]=3 198 B8R0.18 CO[C@H](C(=O)O)C(C)C SY280554 [1,1,0,0,0,0|1,0,0]=3 199 B8R0.27 CC(C)(C)C(N)C(=O)O SY005401 [1,1,0,0,0,0|0,0,0]=2 200 B8R0.27 CC(C)(C)[C@@H](Br)C(=O)O SY298762 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SY005390 [1,1,0,0,0,0|0,0,0]=2 202 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SY005391 [1,1,0,0,0,0|0,0,0]=2 203 B8R0.27 CC(C)(C)[C@H](N)C(N)=O SY038326 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.27 CC(C)(O)C(N)C(=O)O SY026436 [1,1,0,0,0,0|0,0,0]=2 205 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O SY026434 [1,1,0,0,0,0|0,0,0]=2 206 B8R0.27 CC(C)(O)[C@H](N)C(=O)O SY026435 [1,1,0,0,0,0|0,0,0]=2 207 B8R0.27 CC(C)(S)C(N)C(=O)O SY049414 [1,1,0,0,0,0|0,0,0]=2 208 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O SY046568 [1,1,0,0,0,0|0,0,0]=2 209 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC SY039687 [0,2,0,0,0,0|0,0,0]=2 210 B10R0.35 CCOC(=O)[C@H](N)[C@@H](C)CC SY026343 [0,2,0,0,0,0|0,0,0]=2 211 B10R0.30 CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)O SY251478 [0,2,0,0,0,0|0,0,1]=3 212 B8R1.1 CCC1CCC(=O)O1 SY015382 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.1 NCC1COC(=O)N1 SY040257 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.1 O=C1CC(CBr)CN1 SY205276 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.1 O=C1CC(CO)CN1 SY008749 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.1 O=C1NC(CO)CO1 SY038213 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.1 O=C1N[C@@H](CO)CO1 SY284529 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.1 O=C1N[C@H](CO)CO1 SY251331 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.1 O=C1OCC(CO)O1 SY037075 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.4 CC1CCCC(=O)N1 SY033090 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.4 CC1CCCC(=O)O1 SY048899 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.4 CC1CCNC(=O)C1 SY033089 [1,0,0,1,0,0|1,0,0]=3 223 B8R1.4 CN1CCCC(=O)C1 SY023480 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [1,0,0,1,0,0|1,0,0]=3 227 B8R1.4 NC1CCNC(=O)C1 SY098707 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.4 O=C1CC(O)CCN1 SY029027 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.18 CC1CC(=O)OC1=O SY113513 [1,0,0,1,0,0|1,0,1]=4 231 B8R1.18 CC1CC(=O)OC1C SY262129 [1,0,0,1,0,0|0,0,0]=2 232 B8R1.34 O=C(O)C=C1CCC1 SY042126 [1,0,0,1,0,0|0,0,2]=4 233 B8R1.34 O=C(O)CC1CCC1 SY011888 [1,0,0,1,0,0|0,0,0]=2 234 B8R1.34 O=C(O)CC1COC1 SY025445 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.42 CC1(CC(=O)O)CC1 SY159474 [1,0,0,1,0,0|0,0,0]=2 236 B8R1.5 NC1CCCNC1=O SY005645 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.5 NC1CCCNC1=O SY011636 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.5 N[C@@H]1CCCC[C@@H]1O SY046252 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026108 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026111 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026112 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.5 N[C@@H]1CCCC[C@H]1O SY127907 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.5 N[C@@H]1CCCNC1=O SY029118 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026110 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026117 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.5 N[C@H]1CCCC[C@H]1O SY014948 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.5 N[C@H]1CCCNC1=O SY005643 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.5 N[C@H]1CCCNC1=O SY027641 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.5 O=C1CCCCC1Cl SY038921 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.5 O=C1NCCCC1Br SY105168 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.5 O=C1NCCCC1O SY110845 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.7 CC(=O)C1CCCC1 SY035519 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.7 NC(=O)C1CCCO1 SY012530 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.7 NC(=O)[C@@H]1CCCN1 SY003793 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.7 NC(=O)[C@H]1CCCN1 SY008764 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.7 O=C(Cl)C1CCCO1 SY084361 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.7 O=C(O)C1=CCCC1 SY027520 [1,0,0,1,0,0|1,0,1]=4 258 B8R1.7 O=C(O)C1C=CCN1 SY251245 [1,0,0,1,0,0|0,0,2]=4 259 B8R1.7 O=C(O)C1CCCN1 SY006205 [1,0,0,1,0,0|0,0,0]=2 260 B8R1.7 O=C(O)C1CCNC1 SY008997 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.7 O=C(O)C1CCOC1 SY031543 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.7 O=C(O)[C@@H]1C=CCN1 SY022074 [1,0,0,1,0,0|0,0,2]=4 263 B8R1.7 O=C(O)[C@@H]1CCCN1 SY001305 [1,0,0,1,0,0|0,0,0]=2 264 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.7 O=C(O)[C@@H]1CCNC1 SY010178 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.7 O=C(O)[C@@H]1CCOC1 SY016391 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.7 O=C(O)[C@H]1C=CCN1 SY251243 [1,0,0,1,0,0|0,0,2]=4 268 B8R1.7 O=C(O)[C@H]1CCCN1 SY001352 [1,0,0,1,0,0|0,0,0]=2 269 B8R1.7 O=C(O)[C@H]1CCNC1 SY010177 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.7 O=C(O)[C@H]1CCOC1 SY016390 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.7 OC(=S)[C@@H]1CCCO1 SY299828 [1,0,0,1,0,0|1,1,0]=4 272 B8R1.23 CC1CC(C(=O)O)C1 SY042063 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.23 CN1CC(C(=O)O)C1 SY097022 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SY026883 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SY026884 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.23 O=C(O)C1CC(Cl)C1 SY024876 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.23 O=C(O)C1CC(O)C1 SY098700 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SY042433 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SY042435 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.54 N[C@H](C(=O)O)C1CC1 SY035274 [1,0,0,1,0,0|0,0,0]=2 281 B8R1.54 O=C(O)C(=O)C1CC1 SY057726 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.78 CC1(C(=O)O)CCC1 SY042151 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.78 CC1(C(=O)O)CNC1 SY099697 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.78 CC1(C(=O)O)COC1 SY016393 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.78 NC1(C(=O)O)CCC1 SY006988 [1,0,0,1,0,0|0,0,0]=2 286 B8R1.78 NC1(C(=O)O)COC1 SY096956 [1,0,0,1,0,0|1,0,0]=3 287 B8R1.78 O=C(O)C1(Br)CCC1 SY129843 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.78 O=C(O)C1(O)CCC1 SY042594 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.77 CC1(C)CC1C(N)=O SY284377 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.77 CC1(C)C[C@@H]1C(=O)O SY108102 [1,0,0,1,0,0|1,0,0]=3 291 B8R1.77 CC1(C)C[C@@H]1C(N)=O SY042583 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.77 CC1(C)OC1C(=O)O SY224321 [1,0,0,1,0,0|1,0,0]=3 293 B10R1.113 CN1CCCC(C(=O)O)C1 SY081587 [0,0,0,1,0,1|2,0,0]=4 294 B10R1.113 NC1CCCC(C(=O)O)C1 SY003294 [0,0,0,1,0,1|2,0,0]=4 295 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SY025809 [0,0,0,1,0,1|2,0,0]=4 296 B10R1.113 O=C(O)C1CCCC(O)C1 SY043163 [0,0,0,1,0,1|2,0,0]=4 297 B10R1.204 N[C@@H](CC1CCC1)C(=O)O SY254797 [0,0,0,1,0,1|0,0,0]=2 298 B10R1.204 N[C@H](CC1CCC1)C(=O)O SY239699 [0,0,0,1,0,1|0,0,0]=2 299 B10R1.23 CC(C(=O)O)N1CCCC1 SY025224 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 SY004138 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.23 C[C@H](C(=O)O)N1CCCC1 SY036690 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.23 NC(C(=O)O)C1CCCC1 SY111496 [0,1,0,1,0,0|0,0,0]=2 303 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 SY110328 [0,1,0,1,0,0|0,0,0]=2 304 B10R1.23 N[C@H](C(=O)O)C1CCCC1 SY007465 [0,1,0,1,0,0|0,0,0]=2 305 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O SY059506 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@H]1O SY122226 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O SY279078 [0,1,0,1,0,0|2,0,0]=4 308 B10R1.61 CN1CCCCC1C(=O)O SY045469 [0,1,0,1,0,0|2,0,0]=4 309 B10R1.149 COC(=O)C1CCCC1O SY017799 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.149 COC(=O)C1CNCC1C SY271637 [0,1,0,1,0,0|2,0,0]=4 311 B10R1.149 COC(=O)[C@@H]1CCCN1C SY119631 [0,1,0,1,0,0|2,0,0]=4 312 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N SY021243 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N SY030101 [0,1,0,1,0,0|2,0,0]=4 314 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O SY100020 [0,1,0,1,0,0|1,0,0]=3 315 B10R1.175 COC(=O)C1CCC1CO SY262916 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.182 COC(=O)C(N)C1COC1 SY280680 [0,1,0,1,0,0|1,0,0]=3 317 B10R1.128 O=C(O)[C@H]1CCCC1(F)F SY296134 [0,1,0,1,0,0|2,0,0]=4 318 B8R0.9 CCC(=O)CCC(=O)O SY270773 [1,0,0,0,0,1|1,0,1]=4 319 B8R0.9 CCC(C)COC(=O)Cl SY036985 [1,0,0,0,0,1|1,0,0]=3 320 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [1,0,0,0,0,1|2,0,0]=4