0 B8R0.28 CC(=O)CCCC(=O)O SY015106 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.28 CC(=O)CCCC(C)=O SY253771 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CC(=O)CCCN(C)C SY147772 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.28 CC(=O)NCCC(=O)O SY025089 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.28 CC(C)CCCC(C)N SY264522 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.28 CC(C)CCC[N+](=O)[O-] SY266599 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.28 CC(C)CCOC(=O)Cl SY032117 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.28 CN(C)CCCC(=O)O SY058453 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.28 CN(C)C\C=C\C(=O)O SY030493 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.28 N=C(N)NCCC(=O)O SY066704 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.28 O=C(O)CCCC(=O)O SY029948 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 C#CCCCC(=O)O SY026710 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.4 C#CCCCN(C)C SY023025 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 C=CCCCC(=O)O SY050075 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.4 CC(=O)OCCCCl SY106444 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 CC(C)CC=CC=O SY298528 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.4 CC(C)CCCCO SY083602 [1,0,0,0,0,0|0,0,1]=2 17 B7R0.4 CC(C)CCCON SY281839 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 CC(C)CCCON SY281840 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.4 CC(O)CSCCO SY269034 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 CCCCCC(N)=O SY051726 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 CCCNCC(C)C SY034221 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 CCCOCC(=O)O SY025048 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.4 CCOC=CC(=O)O SY030136 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.4 CN(C)CCCC#N SY028278 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.4 CNCCCC(=O)O SY032531 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.4 COCCCC(=O)O SY045907 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.4 COCCC[N+](=O)[O-] SY266522 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 N#CCCCC(=O)O SY008532 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.4 NC(=O)CCCCBr SY253590 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.4 NC(=O)CCCCCl SY184285 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.4 NC(=O)COCCCl SY007262 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.4 NCCCCC(=O)O SY002964 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.4 NCCCCC(N)=O SY247757 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.4 O=C(Cl)CCCCF SY270893 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.4 O=C(O)CCCCCl SY051600 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.4 O=C(O)CCCCS SY141369 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.4 O=C(O)COCCCl SY030518 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 O=C([O-])CCCCO SY019284 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.4 O=[N+]([O-])CCCCBr SY266567 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 O=[N+]([O-])CCCCCl SY266516 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 O=[N+]([O-])CCCCO SY235738 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.4 [N-]=[N+]=NCCC(=O)O SY142459 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.1 COC(=O)CCCC(=O)O SY029949 [0,1,0,0,0,0|1,0,1]=3 45 B9R0.1 COC(=O)CCCC(C)=O SY113736 [0,1,0,0,0,0|1,0,1]=3 46 B9R0.1 COC(=O)CCC[N+](=O)[O-] SY103838 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.7 CC(Cl)C(=O)NCC(=O)O SY129805 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.7 C[C@H](S)C(=O)NCC(=O)O SY262996 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268968 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O SY268975 [0,1,0,0,0,0|1,0,0]=2 51 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O SY020875 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.7 NC(CCC(=O)O)C(=O)O SY008517 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.7 NC(CCC(=O)O)C(=O)O SY008518 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SY007089 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY065306 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.53 CC(C)C[C@H](N)CC(=O)O SY254213 [0,1,0,0,0,0|0,0,0]=1 57 B9R0.53 CC(CC(=O)O)CC(=O)O SY049418 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.53 NC(CC(=O)O)CC(=O)O SY239462 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.53 NC(CC(=O)O)CC(=O)O SY239922 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.53 O=C(O)CC(O)CC(=O)O SY122582 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.56 CC(=O)SCC[N+](C)(C)C SY022189 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.56 NS(=O)(=O)CCCC(=O)O SY104163 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.56 O=C(O)CCCC(F)(F)F SY032186 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.56 O=C(O)COCC(F)(F)F SY040145 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.35 CC(=O)N1CCC(N)C1 SY005627 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.35 CC(=O)N1CCC(O)C1 SY012351 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SY005003 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.35 CC(=O)N1CC[C@H](O)C1 SY005004 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.35 CC(C)[C@@H]1COC(=O)N1 SY021565 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.35 CC(C)[C@H]1COC(=O)N1 SY007944 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.35 CN1CCC(C(=O)O)C1 SY019266 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.35 CN1CCC(C(=O)O)C1 SY020059 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 SY258090 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 SY026002 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.35 NC1CCC(C(=O)O)C1 SY006149 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.35 N[C@@H]1C=C[C@@H](C(=O)O)C1 SY266096 [0,0,0,1,0,0|1,0,2]=4 77 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY025607 [0,0,0,1,0,0|1,0,0]=2 78 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SY029549 [0,0,0,1,0,0|1,0,0]=2 79 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SY016353 [0,0,0,1,0,0|1,0,0]=2 80 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SY098915 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 SY003829 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 SY293378 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY018168 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SY098988 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY009611 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SY017668 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY003831 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SY009616 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY008137 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SY009610 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.35 O=C1CC(C(=O)O)CN1 SY041979 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.35 O=C1CCC(C(=O)O)C1 SY007001 [0,0,0,1,0,0|1,0,1]=3 93 B9R1.35 O=C1CCC(C(=O)O)O1 SY278788 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SY010496 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SY059752 [0,0,0,1,0,0|1,0,1]=3 96 B9R1.35 O=C1CC[C@H](C(=O)O)N1 SY002490 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.35 O=C1CC[C@H](C(=O)O)O1 SY038942 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.49 CN1CCCC(=O)CC1 SY002715 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.49 CN1CCNC(=O)CC1 SY022083 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.49 N[C@@H]1CCC[C@H](O)CC1 SY280408 [0,0,0,1,0,0|2,0,1]=4 101 B9R1.66 CC1(C)CC(=O)CCN1 SY030979 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.66 CC1(C)CC(=O)CCO1 SY006372 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.66 CC1(C)CC(O)CCN1 SY096644 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.66 CC1(C)CC(O)CCO1 SY023965 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.66 CC1(C)CCCC(N)C1 SY143191 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.66 CC1(C)CCCC(N)C1 SY310009 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.66 CC1(C)COCC(=O)N1 SY045284 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.66 CC1(O)CCOC(=O)C1 SY032939 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.85 O=C(O)CCNC1CC1 SY034664 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.161 O=C(O)C1CC1C(F)F SY267502 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O SY040982 [0,0,0,1,0,0|2,0,1]=4 112 B7R0.6 CC(=O)CCC(N)=O SY273013 [0,0,0,0,1,0|2,0,1]=4 113 B7R0.6 CC(=O)NCC(=O)O SY013515 [0,0,0,0,1,0|2,0,1]=4 114 B7R0.6 CC(=O)OCC(C)O SY272306 [0,0,0,0,1,0|3,0,0]=4 115 B7R0.6 CC(C)CCB(O)O SY024043 [0,0,0,0,1,0|1,0,1]=3 116 B7R0.6 CC(C)CCC(=O)O SY001693 [0,0,0,0,1,0|0,0,0]=1 117 B7R0.6 CC(C)CCC(C)Br SY016753 [0,0,0,0,1,0|2,0,1]=4 118 B7R0.6 CC(C)CC[N+](=O)[O-] SY224455 [0,0,0,0,1,0|1,0,1]=3 119 B7R0.6 CC(Cl)CCC(=O)Cl SY027798 [0,0,0,0,1,0|2,0,0]=3 120 B7R0.6 CC(O)CCC(=O)[O-] SY159293 [0,0,0,0,1,0|1,0,1]=3 121 B7R0.6 CN(C)CCC(=O)O SY031864 [0,0,0,0,1,0|1,0,0]=2 122 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [0,0,0,0,1,0|1,0,0]=2 123 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [0,0,0,0,1,0|1,0,0]=2 124 B7R0.6 O=C(O)CSC(F)F SY172606 [0,0,0,0,1,0|3,0,0]=4 125 B9R0.55 CC(=O)NCCCN(C)C SY028365 [0,0,0,0,0,1|2,0,0]=3 126 B9R0.55 CC(C)=CCCCC(=O)O SY253607 [0,0,0,0,0,1|0,0,1]=2 127 B9R0.55 CC(C)NCCCN(C)C SY270832 [0,0,0,0,0,1|3,0,0]=4 128 B9R0.55 CN(C)CCCCC(=O)O SY018643 [0,0,0,0,0,1|1,0,0]=2 129 B9R0.55 CN(C)CCCCC(=O)O SY019232 [0,0,0,0,0,1|1,0,0]=2 130 B6R0.4 C=CCC[C@H](C)O SY307699 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.4 CC(=O)CCCO SY002852 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.4 CC(C)CCCO SY016761 [2,0,0,0,0,0|0,0,0]=2 133 B6R0.4 CC(C)CCNN SY048082 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.4 CC(C)CCON SY045359 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.4 CC(C)CCON SY281670 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.4 CC(C)NCCCl SY028925 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 CC(C)OCC=O SY269035 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.4 CC(C)OCCBr SY031858 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.4 CC(Cl)CCCO SY207412 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.4 CC(O)CCCO SY239899 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.4 CCCCB(O)O SY012742 [2,0,0,0,0,0|1,0,1]=4 142 B6R0.4 CCCCC(=N)N SY020380 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.4 CCCCC(=N)N SY020382 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.4 CCCOC(N)=O SY114484 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 CN(C)CCC=O SY022382 [2,0,0,0,0,0|1,0,0]=3 146 B6R0.4 CN(C)CCCBr SY016763 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.4 CN(C)CCCCl SY006370 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.4 CN(C)CCCCl SY021395 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.4 CN(C)CCCI SY247760 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.4 CN(C)CCCI SY247768 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.4 CNCCC(=O)O SY005345 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.4 CNCCC(=O)O SY112486 [2,0,0,0,0,0|1,0,0]=3 153 B6R0.4 COCCC(=O)O SY028921 [2,0,0,0,0,0|1,0,0]=3 154 B6R0.4 N#CCCC(=O)O SY008516 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.4 NCCCC(N)=O SY174709 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.4 O=C(O)CCCBr SY001501 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.6 C=CCCCCO SY020861 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.6 CCCCCNN SY048085 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.6 CCCCCON SY281671 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.6 CCCCCON SY281672 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.6 CCNCCCO SY023800 [2,0,0,0,0,0|1,0,1]=4 162 B6R0.6 CNCCCCO SY117259 [2,0,0,0,0,0|1,0,1]=4 163 B6R0.6 NCCCCCO SY049614 [2,0,0,0,0,0|1,0,1]=4 164 B6R0.6 O=CCCCCCl SY024458 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.6 O=CCCCCO SY047027 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.6 O=CNCCCO SY261924 [2,0,0,0,0,0|2,0,0]=4 167 B6R0.6 OCCCCCCl SY050042 [2,0,0,0,0,0|1,0,1]=4 168 B8R0.5 CCCC(C)OC(=O)Cl SY285574 [1,1,0,0,0,0|2,0,0]=4 169 B8R0.5 CCOC(=O)CC(=O)O SY003789 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.6 C#CCCCC(=O)OC SY275105 [1,1,0,0,0,0|0,0,2]=4 171 B8R0.6 C#C[C@@H](O)CCCCC SY029413 [1,1,0,0,0,0|1,0,1]=4 172 B8R0.6 CCC\C=C\C(=O)OC SY015809 [1,1,0,0,0,0|0,0,2]=4 173 B8R0.6 CCNCCC(=O)OC SY019881 [1,1,0,0,0,0|1,0,0]=3 174 B8R0.6 CNCCCC(=O)NN SY289472 [1,1,0,0,0,0|2,0,0]=4 175 B8R0.6 COC(=O)CCCC#N SY025759 [1,1,0,0,0,0|1,0,1]=4 176 B8R0.6 COC(=O)CCCC=O SY056793 [1,1,0,0,0,0|1,0,1]=4 177 B8R0.6 COC(=O)CCCCBr SY013898 [1,1,0,0,0,0|1,0,0]=3 178 B8R0.6 COC(=O)CCCCN SY117564 [1,1,0,0,0,0|1,0,0]=3 179 B8R0.6 COCCCC(=O)OC SY096667 [1,1,0,0,0,0|1,0,0]=3 180 B8R0.7 C#CCCCCC(=O)O SY021705 [1,1,0,0,0,0|0,0,1]=3 181 B8R0.7 C#CCOCCC(=O)O SY128339 [1,1,0,0,0,0|0,0,2]=4 182 B8R0.7 CC(=O)OCCCCBr SY048653 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.7 CC(=O)OCCCCO SY294143 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.7 CC(=O)SCCCCN SY290150 [1,1,0,0,0,0|2,0,0]=4 185 B8R0.7 CC(C)NCCCCO SY054140 [1,1,0,0,0,0|0,0,1]=3 186 B8R0.7 CCCCCCB(O)O SY017961 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.7 CCCCCC[C@@H](C)O SY038272 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.7 CCCCCC[N+](=O)[O-] SY266557 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.7 CCCCOCC(=O)O SY002472 [1,1,0,0,0,0|0,0,0]=2 190 B8R0.7 CN(C)CCNCCO SY270833 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.7 COCCCC[N+](=O)[O-] SY266559 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.7 COCCOCC(=O)O SY035294 [1,1,0,0,0,0|1,0,0]=3 193 B8R0.7 NC(=O)CCCCCBr SY103908 [1,1,0,0,0,0|1,0,0]=3 194 B8R0.7 NC(=O)CCCCCO SY247977 [1,1,0,0,0,0|1,0,0]=3 195 B8R0.7 NCCCCCC(=O)O SY003109 [1,1,0,0,0,0|0,0,0]=2 196 B8R0.7 NCCCCCC(N)=O SY247974 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.7 O=C(O)CCCCCCl SY053214 [1,1,0,0,0,0|0,0,0]=2 198 B8R0.7 O=C(O)CCCCCO SY032043 [1,1,0,0,0,0|0,0,0]=2 199 B8R0.7 O=C(O)CCOCCBr SY273001 [1,1,0,0,0,0|1,0,0]=3 200 B8R0.7 O=C(O)CCOCCO SY293391 [1,1,0,0,0,0|1,0,0]=3 201 B8R0.7 O=C([O-])CCCCCO SY121174 [1,1,0,0,0,0|0,0,1]=3 202 B8R0.7 O=[N+]([O-])CCCCCBr SY266569 [1,1,0,0,0,0|1,0,1]=4 203 B8R0.7 O=[N+]([O-])CCCCCCl SY266512 [1,1,0,0,0,0|1,0,1]=4 204 B8R0.7 O=[N+]([O-])CCCCCO SY266588 [1,1,0,0,0,0|1,0,1]=4 205 B8R0.8 C=CCC[C@@H](N)C(=O)O SY254077 [1,1,0,0,0,0|0,0,2]=4 206 B8R0.8 CCCCC(N)C(=O)O SY038236 [1,1,0,0,0,0|0,0,0]=2 207 B8R0.8 CCCC[C@@H](N)C(=O)O SY062052 [1,1,0,0,0,0|0,0,0]=2 208 B8R0.8 CCCC[C@H](N)C(=O)O SY036145 [1,1,0,0,0,0|0,0,0]=2 209 B8R0.8 CSCC[C@@H](N)C(=O)O SY004418 [1,1,0,0,0,0|1,0,0]=3 210 B8R0.8 NCCCC(N)C(=O)O SY005810 [1,1,0,0,0,0|1,0,0]=3 211 B8R0.8 NCCC[C@@H](N)C(=O)O SY007936 [1,1,0,0,0,0|1,0,0]=3 212 B8R0.8 NCCC[C@H](N)C(=O)O SY005520 [1,1,0,0,0,0|1,0,0]=3 213 B8R0.8 NCCC[C@H](N)C(=O)O SY066991 [1,1,0,0,0,0|1,0,0]=3 214 B8R0.8 N[C@@H](CCCO)C(=O)O SY269711 [1,1,0,0,0,0|1,0,0]=3 215 B8R0.9 C=C[C@@H](N)CCC(=O)O SY263247 [1,1,0,0,0,0|0,0,2]=4 216 B8R0.9 CCC(=O)CCC(=O)O SY270773 [1,1,0,0,0,0|0,0,1]=3 217 B8R0.9 CCC(C)COC(=O)Cl SY036985 [1,1,0,0,0,0|2,0,0]=4 218 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [1,1,0,0,0,0|1,0,0]=3 219 B8R0.9 COC(=O)CCC(=O)O SY009523 [1,1,0,0,0,0|1,0,1]=4 220 B8R0.9 NCC(=O)CCC(=O)O SY017972 [1,1,0,0,0,0|1,0,1]=4 221 B8R0.21 CCCCCS(=O)(=O)[O-] SY013397 [1,1,0,0,0,0|1,0,1]=4 222 B8R0.21 COCCCS(=O)(=O)O SY011651 [1,1,0,0,0,0|2,0,0]=4 223 B8R0.23 CC(=O)CC(=O)C(C)C SY021087 [0,1,0,0,1,0|1,0,1]=4 224 B8R0.23 CC(C)C(N)CC(=O)O SY016724 [0,1,0,0,1,0|0,0,0]=2 225 B8R0.23 CC(C)CC(N)C(=O)O SY006365 [0,1,0,0,1,0|0,0,0]=2 226 B8R0.23 CC(C)C[C@@H](N)C(=O)O SY033229 [0,1,0,0,1,0|0,0,0]=2 227 B8R0.23 CC(C)C[C@@H](O)C(=O)O SY066416 [0,1,0,0,1,0|0,0,0]=2 228 B8R0.23 CC(C)C[C@H](N)C(=O)O SY005863 [0,1,0,0,1,0|0,0,0]=2 229 B8R0.23 CC(C)C[C@H](O)C(=O)O SY066744 [0,1,0,0,1,0|0,0,0]=2 230 B8R0.23 CC(C)NC(=O)C(=O)O SY026403 [0,1,0,0,1,0|1,0,1]=4 231 B8R0.23 CC(C)[C@@H](N)CC(=O)O SY064256 [0,1,0,0,1,0|0,0,0]=2 232 B8R0.23 CC(C)[C@H](N)CC(=O)O SY077258 [0,1,0,0,1,0|0,0,0]=2 233 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O SY254067 [0,1,0,0,1,0|1,0,0]=3 234 B8R0.29 CC(=O)CCC(C)(C)C SY200187 [0,1,0,0,1,0|1,0,0]=3 235 B8R0.29 CC(C)(C)CC[N+](=O)[O-] SY266553 [0,1,0,0,1,0|1,0,1]=4 236 B8R0.29 CC(C)(C)NCC(=O)O SY045863 [0,1,0,0,1,0|1,0,0]=3 237 B8R0.29 CC(C)(C)OCC(=O)O SY040142 [0,1,0,0,1,0|1,0,0]=3 238 B8R0.29 CC(C)(O)CC[N+](=O)[O-] SY266613 [0,1,0,0,1,0|1,0,1]=4 239 B8R0.29 CS(=O)(=O)CCC(=O)O SY028922 [0,1,0,0,1,0|2,0,0]=4 240 B8R0.29 O=C(O)CCC(F)(F)F SY004841 [0,1,0,0,1,0|2,0,0]=4 241 B10R0.55 COC(=O)CCCCC(=O)O SY020964 [0,1,0,0,0,1|1,0,1]=4 242 B10R0.55 COC(=O)CCCCC(C)=O SY046102 [0,1,0,0,0,1|1,0,1]=4 243 B10R0.96 CC(=O)CC(=O)OCC(C)C SY052364 [0,1,0,0,0,1|1,0,1]=4 244 B10R0.96 CC(C)CC(=O)NCC(=O)O SY040457 [0,1,0,0,0,1|0,0,1]=3 245 B10R0.3 CC(C)CCC[C@@H](C)CCO SY275110 [0,2,0,0,0,0|1,0,1]=4 246 B10R0.3 CCOC(=O)CCCC(=O)O SY036401 [0,2,0,0,0,0|1,0,1]=4 247 B10R0.3 CCOC(=O)CCCC(C)=O SY033235 [0,2,0,0,0,0|1,0,1]=4 248 B10R0.57 CNC(=O)[C@@H](N)CCC(C)C SY290103 [0,2,0,0,0,0|1,0,0]=3 249 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O SY060386 [0,2,0,0,0,0|1,0,1]=4 250 B10R0.77 CCN(CC)CCCC(C)=O SY113877 [0,2,0,0,0,0|2,0,0]=4 251 B10R0.82 CNC(=O)CCC(N)C(=O)O SY250931 [0,2,0,0,0,0|1,0,1]=4 252 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O SY066550 [0,2,0,0,0,0|1,0,1]=4 253 B10R0.82 COC(=O)CC[C@H](N)C(=O)O SY003851 [0,2,0,0,0,0|1,0,1]=4 254 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O SY032305 [0,2,0,0,0,0|1,0,0]=3 255 B10R0.92 CC(C)(C)OC[C@@H](O)C(=O)O SY271496 [0,2,0,0,0,0|1,0,0]=3 256 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O SY031318 [0,2,0,0,0,0|1,0,0]=3 257 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O SY266745 [0,2,0,0,0,0|1,0,0]=3 258 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O SY027489 [0,2,0,0,0,0|2,0,0]=4 259 B10R0.31 C[N+](C)(C)CC(O)CC(=O)O SY018254 [0,2,0,0,0,0|1,0,0]=3 260 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)[O-] SY291782 [0,2,0,0,0,0|1,0,1]=4 261 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] SY076118 [0,2,0,0,0,0|1,0,1]=4 262 B8R1.1 CCC1CCC(=O)O1 SY015382 [1,0,0,1,0,0|0,0,0]=2 263 B8R1.1 CN1CCC(CO)C1 SY023473 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.1 CN1CC[C@@H](CO)C1 SY259236 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.1 NCC1CCC(=O)N1 SY006694 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.1 NC[C@@H]1CCC(=O)N1 SY045358 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.1 NC[C@@H]1CCC(=O)N1 SY215400 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.1 NC[C@H]1CCC(=O)N1 SY024297 [1,0,0,1,0,0|2,0,0]=4 269 B8R1.1 O=C1CCC(CBr)O1 SY250804 [1,0,0,1,0,0|1,0,0]=3 270 B8R1.1 O=C1CCC(CO)N1 SY059670 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.1 O=C1CC[C@@H](CBr)N1 SY033743 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [1,0,0,1,0,0|1,0,0]=3 274 B8R1.1 O=C1CC[C@H](CBr)N1 SY066920 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.1 O=C1NCC(CO)O1 SY005286 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.1 O=C1OCC(CO)O1 SY037075 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.4 CC1=CC(=O)CCC1 SY011435 [1,0,0,1,0,0|0,0,2]=4 279 B8R1.4 CC1CC(O)CCO1 SY023229 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.4 CC1CCCC(=O)N1 SY033090 [1,0,0,1,0,0|1,0,0]=3 281 B8R1.4 CC1CCCC(=O)O1 SY048899 [1,0,0,1,0,0|0,0,0]=2 282 B8R1.4 CC1CCNC(=O)C1 SY033089 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.4 CC1CNCC(O)C1 SY208218 [1,0,0,1,0,0|1,0,1]=4 284 B8R1.4 CN1CCCC(=O)C1 SY023480 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.4 CN1CCCC(O)C1 SY224914 [1,0,0,1,0,0|1,0,1]=4 286 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [1,0,0,1,0,0|1,0,0]=3 287 B8R1.4 C[C@@H]1CNCC(=O)N1 SY259669 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [1,0,0,1,0,0|0,0,0]=2 290 B8R1.4 NC1CCCC(O)C1 SY027772 [1,0,0,1,0,0|1,0,1]=4 291 B8R1.4 NC1CCNC(=O)C1 SY098707 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.4 O=C1CC(O)CCN1 SY029027 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.4 O=C1CCCC(=O)C1 SY004453 [1,0,0,1,0,0|1,0,1]=4 294 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.7 CC(=O)C1CCCC1 SY035519 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.7 CC(C)[C@@H]1CCCN1 SY099556 [1,0,0,1,0,0|1,0,1]=4 297 B8R1.7 NC(=O)C1CCCO1 SY012530 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.7 NC(=O)[C@@H]1CCCN1 SY003793 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.7 NC(=O)[C@@H]1CCNC1 SY010578 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.7 NC(=O)[C@H]1CCCN1 SY008764 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.7 NC(=O)[C@H]1CCNC1 SY008249 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.7 NC(=O)[C@H]1CCNC1 SY024593 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.7 NC(=S)C1CCCC1 SY175580 [1,0,0,1,0,0|1,1,0]=4 304 B8R1.7 O=C(Cl)C1CCCO1 SY084361 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.7 O=C(Cl)C1CCOC1 SY211383 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.7 O=C(O)C1=CCCC1 SY027520 [1,0,0,1,0,0|0,0,2]=4 307 B8R1.7 O=C(O)C1CC=CC1 SY003813 [1,0,0,1,0,0|0,0,2]=4 308 B8R1.7 O=C(O)C1CCCN1 SY006205 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.7 O=C(O)C1CCNC1 SY008997 [1,0,0,1,0,0|1,0,0]=3 310 B8R1.7 O=C(O)C1CCOC1 SY031543 [1,0,0,1,0,0|1,0,0]=3 311 B8R1.7 O=C(O)[C@@H]1CCCN1 SY001305 [1,0,0,1,0,0|1,0,0]=3 312 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.7 O=C(O)[C@@H]1CCNC1 SY010178 [1,0,0,1,0,0|1,0,0]=3 314 B8R1.7 O=C(O)[C@@H]1CCOC1 SY016391 [1,0,0,1,0,0|1,0,0]=3 315 B8R1.7 O=C(O)[C@H]1CCCN1 SY001352 [1,0,0,1,0,0|1,0,0]=3 316 B8R1.7 O=C(O)[C@H]1CCNC1 SY010177 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.7 O=C(O)[C@H]1CCOC1 SY016390 [1,0,0,1,0,0|1,0,0]=3 318 B8R1.7 OB(O)C1CCCC1 SY023521 [1,0,0,1,0,0|1,0,1]=4 319 B8R1.7 OC(=S)[C@@H]1CCCO1 SY299828 [1,0,0,1,0,0|1,1,0]=4 320 B8R1.19 CC1(C)CC=CC1=O SY262050 [1,0,0,1,0,0|0,0,2]=4 321 B8R1.19 CC1(C)CCCC1Br SY167402 [1,0,0,1,0,0|1,0,1]=4 322 B8R1.19 CC1(C)CCNC1=O SY067839 [1,0,0,1,0,0|1,0,0]=3 323 B8R1.19 CC1(C)CCOC1=O SY029932 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.19 CC1(C)CNC[C@H]1O SY284254 [1,0,0,1,0,0|1,0,1]=4 325 B8R1.19 CC1(C)CONC1=O SY267935 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.22 O=C1C=CCCCC1 SY041083 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.22 O=C1CCCCNC1 SY040205 [1,0,0,1,0,0|2,0,0]=4 328 B8R1.22 O=C1CCCNCC1 SY017922 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.22 O=C1CCCOCC1 SY036485 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.22 O=C1CCNCCN1 SY019808 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.22 O=C1CCNCCN1 SY075066 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.22 O=C1CCOCCN1 SY029460 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.22 O=C1CNCCCN1 SY032801 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.34 O=C(O)C=C1CCC1 SY042126 [1,0,0,1,0,0|0,0,2]=4 335 B8R1.34 O=C(O)CC1CCC1 SY011888 [1,0,0,1,0,0|0,0,0]=2 336 B8R1.34 O=C(O)CC1COC1 SY025445 [1,0,0,1,0,0|1,0,0]=3 337 B8R1.35 O=C(Cl)OCC1CC1 SY248050 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.35 O=C(O)C=CC1CC1 SY263204 [1,0,0,1,0,0|0,0,2]=4 339 B8R1.35 O=C(O)CCC1CC1 SY042777 [1,0,0,1,0,0|0,0,0]=2 340 B8R1.35 O=[N+]([O-])CCC1CC1 SY266551 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.36 OCCNCC1CC1 SY033845 [1,0,0,1,0,0|1,0,1]=4 342 B8R1.72 CC1(C)CNCCO1 SY005344 [1,0,0,1,0,0|1,0,1]=4 343 B8R1.72 CC1(C)CNCCO1 SY097274 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.3 CC1C=CC(=O)CC1 SY100224 [0,0,0,1,1,0|1,0,1]=4 345 B8R1.3 CC1CNC(=O)CO1 SY032981 [0,0,0,1,1,0|2,0,0]=4 346 B8R1.3 C[C@H]1CC[C@H](O)CC1 SY043391 [0,0,0,1,1,0|1,0,1]=4 347 B8R1.3 NC1CCC(=O)CC1 SY017243 [0,0,0,1,1,0|2,0,0]=4 348 B8R1.3 NC1CCC(=O)NC1 SY022821 [0,0,0,1,1,0|2,0,0]=4 349 B8R1.3 N[C@@H]1CCC(=O)NC1 SY036453 [0,0,0,1,1,0|2,0,0]=4 350 B8R1.3 O=C1CCC(Br)CC1 SY275581 [0,0,0,1,1,0|2,0,0]=4 351 B8R1.3 O=C1CCC(O)CC1 SY005938 [0,0,0,1,1,0|2,0,0]=4 352 B8R1.3 O=C1CCC(O)CN1 SY034611 [0,0,0,1,1,0|2,0,0]=4 353 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [0,0,0,1,1,0|2,0,0]=4 354 B8R1.23 C=C1CC(C(=O)O)C1 SY039273 [0,0,0,1,1,0|0,0,2]=4 355 B8R1.23 CC1CC(C(=O)O)C1 SY042063 [0,0,0,1,1,0|0,0,0]=2 356 B8R1.23 CN1CC(C(=O)Cl)C1 SY247770 [0,0,0,1,1,0|2,0,0]=4 357 B8R1.23 CN1CC(C(=O)O)C1 SY097022 [0,0,0,1,1,0|1,0,0]=3 358 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SY026883 [0,0,0,1,1,0|1,0,0]=3 359 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SY026884 [0,0,0,1,1,0|1,0,0]=3 360 B8R1.23 O=C(O)C1CC(Cl)C1 SY024876 [0,0,0,1,1,0|1,0,0]=3 361 B8R1.23 O=C(O)C1CC(O)C1 SY098700 [0,0,0,1,1,0|1,0,0]=3 362 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SY042433 [0,0,0,1,1,0|1,0,0]=3 363 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SY042435 [0,0,0,1,1,0|1,0,0]=3 364 B8R1.23 O=C1CC(C(=O)O)C1 SY008366 [0,0,0,1,1,0|1,0,1]=4 365 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,0,0,1,1,0|1,0,0]=3 366 B8R1.51 CC1(C)CCC(=O)N1 SY023743 [0,0,0,1,1,0|1,0,0]=3 367 B8R1.51 CC1(C)CNC(=O)C1 SY015235 [0,0,0,1,1,0|2,0,0]=4 368 B8R1.51 CC1(C)CNC(=O)N1 SY273056 [0,0,0,1,1,0|2,0,0]=4 369 B8R1.77 CC1(C)CC1C(N)=O SY284377 [0,0,0,1,1,0|1,0,0]=3 370 B8R1.77 CC1(C)C[C@@H]1C(=O)O SY108102 [0,0,0,1,1,0|0,0,0]=2 371 B8R1.77 CC1(C)C[C@@H]1C(N)=O SY042583 [0,0,0,1,1,0|1,0,0]=3 372 B8R1.77 CC1(C)OC1C(=O)O SY224321 [0,0,0,1,1,0|1,0,0]=3 373 B8R1.77 O=C(O)C1CC1(F)F SY027524 [0,0,0,1,1,0|2,0,0]=4 374 B8R1.77 O=C(O)[C@@H]1CC1(F)F SY245844 [0,0,0,1,1,0|2,0,0]=4 375 B8R1.77 O=C(O)[C@H]1CC1(F)F SY099275 [0,0,0,1,1,0|2,0,0]=4 376 B10R1.54 CC(C)C[C@H]1COC(=O)N1 SY037850 [0,0,0,1,0,1|1,0,0]=3 377 B10R1.54 O=C(O)CC1CNC(=O)C1 SY237681 [0,0,0,1,0,1|1,0,1]=4 378 B10R1.113 CC(=O)N1CCCC(N)C1 SY006435 [0,0,0,1,0,1|2,0,0]=4 379 B10R1.113 CC(C)C1CCCC(=O)C1 SY163056 [0,0,0,1,0,1|1,0,0]=3 380 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 SY223897 [0,0,0,1,0,1|1,0,1]=4 381 B10R1.113 CN1CCCC(C(=O)O)C1 SY081587 [0,0,0,1,0,1|1,0,0]=3 382 B10R1.113 NC1CCCC(C(=O)O)C1 SY003294 [0,0,0,1,0,1|1,0,0]=3 383 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SY025809 [0,0,0,1,0,1|1,0,0]=3 384 B10R1.113 O=C(O)C1CCCC(O)C1 SY043163 [0,0,0,1,0,1|1,0,0]=3 385 B10R1.113 O=C(O)C1CNCC(O)C1 SY003650 [0,0,0,1,0,1|1,0,0]=3 386 B10R1.113 O=C(O)C1CNCC(O)C1 SY003665 [0,0,0,1,0,1|1,0,0]=3 387 B10R1.113 O=C1CC(C(=O)O)CCN1 SY039894 [0,0,0,1,0,1|1,0,1]=4 388 B10R1.113 O=C1CCCC(C(=O)O)C1 SY026629 [0,0,0,1,0,1|1,0,1]=4 389 B10R1.128 O=C(O)[C@H]1CCCC1(F)F SY296134 [0,0,0,1,0,1|2,0,0]=4 390 B10R1.13 CC1CCC(C(=O)O)CC1 SY113256 [0,1,0,1,0,0|0,0,0]=2 391 B10R1.13 CN(C)C1CCC(=O)CC1 SY017445 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.13 CN1CCC(C(=O)O)CC1 SY014228 [0,1,0,1,0,0|1,0,0]=3 393 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 SY066773 [0,1,0,1,0,0|0,0,0]=2 394 B10R1.13 NC(=O)C1CCC(N)CC1 SY171834 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.13 NC1CCC(C(=O)O)CC1 SY029216 [0,1,0,1,0,0|1,0,0]=3 396 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 SY002609 [0,1,0,1,0,0|1,0,0]=3 397 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SY026590 [0,1,0,1,0,0|1,0,0]=3 398 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SY038982 [0,1,0,1,0,0|1,0,0]=3 399 B10R1.13 O=C(O)C1CCC(O)CC1 SY011572 [0,1,0,1,0,0|1,0,0]=3 400 B10R1.13 O=C(O)C1CCC(O)CC1 SY285104 [0,1,0,1,0,0|1,0,0]=3 401 B10R1.13 O=C(O)C1CCC(O)CN1 SY232837 [0,1,0,1,0,0|1,0,0]=3 402 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 SY235536 [0,1,0,1,0,0|1,0,0]=3 403 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SY016503 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 SY011571 [0,1,0,1,0,0|1,0,0]=3 405 B10R1.13 O=C1CCC(C(=O)O)CC1 SY018365 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.13 O=C1CCC(C(=O)O)CN1 SY008266 [0,1,0,1,0,0|1,0,1]=4 407 B10R1.14 COC(=O)C1CCC(=O)C1 SY009632 [0,1,0,1,0,0|1,0,1]=4 408 B10R1.14 COC(=O)C1CCC(N)C1 SY021245 [0,1,0,1,0,0|1,0,0]=3 409 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 SY029550 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 SY038599 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SY004227 [0,1,0,1,0,0|2,0,0]=4 412 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SY264919 [0,1,0,1,0,0|2,0,0]=4 413 B10R1.14 COC(=O)[C@@H]1C[C@H](C)CN1 SY246556 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 SY010390 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 SY020138 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 SY020555 [0,1,0,1,0,0|2,0,0]=4 417 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 SY022109 [0,1,0,1,0,0|2,0,0]=4 418 B10R1.153 COC(=O)CCNC1CC1 SY029092 [0,1,0,1,0,0|1,0,0]=3 419 B10R1.302 O=C1CCCC(F)(F)CC1 SY262536 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O SY235872 [0,1,0,1,0,0|1,0,1]=4 421 B10R1.58 CN1CC(C(=O)O)CC1=O SY013234 [0,1,0,1,0,0|1,0,1]=4 422 B10R1.58 O=C(O)C1C[C@H](F)[C@H](F)C1 SY302362 [0,1,0,1,0,0|1,0,0]=3 423 B10R1.349 CC(C)C1CC(C(=O)O)C1 SY259355 [0,1,0,1,0,0|0,0,0]=2 424 B10R1.359 CC1(C)OCC(C(=O)[O-])O1 SY104966 [0,1,0,1,0,0|1,0,1]=4 425 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 SY272639 [0,1,0,1,0,0|1,0,0]=3 426 B10R1.359 CC1(C)OC[C@@H](C(=O)[O-])O1 SY272640 [0,1,0,1,0,0|1,0,1]=4 427 B10R1.359 O=C(O)C1CCC(F)(F)C1 SY042234 [0,1,0,1,0,0|1,0,0]=3 428 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O SY279078 [0,1,0,1,0,0|2,0,0]=4 429 B10R1.310 CC1(C)OC(=O)C1C(=O)O SY292761 [0,1,0,1,0,0|1,0,1]=4 430 B10R1.329 CC1(C)CC(=O)CC(=O)C1 SY010547 [0,1,0,1,0,0|1,0,1]=4 431 B10R1.329 CC1(C)OC(=O)CC(=O)O1 SY001708 [0,1,0,1,0,0|1,0,1]=4 432 B10R1.371 O=C(O)CC1CC(F)(F)C1 SY038540 [0,1,0,1,0,0|1,0,0]=3 433 B10R1.347 CC(C)(C)[C@@H]1C[C@H]1B(O)O SY277964 [0,1,0,1,0,0|1,0,1]=4 434 B10R1.347 O=C(O)C1CC1C(F)(F)F SY044974 [0,1,0,1,0,0|2,0,0]=4 435 B10R2.178 O=C1NCC2CCC1C2 SY288304 [0,0,0,2,0,0|1,0,0]=3 436 B10R2.365 O=C(O)CC12CC(C1)C2 SY099408 [0,0,0,2,0,0|0,0,0]=2 437 B10R2.534 O=C1CCCC2(CC2)C1 SY100211 [0,0,0,2,0,0|1,0,0]=3 438 B6R0.2 CC(=O)NC(C)C SY107538 [0,0,0,0,2,0|2,0,0]=4 439 B6R0.2 CC(C)CB(O)O SY002441 [0,0,0,0,2,0|1,0,1]=4 440 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,0,0,0,2,0|2,0,0]=4 441 B6R0.2 CC(N)CC(=O)O SY022577 [0,0,0,0,2,0|1,0,0]=3 442 B6R0.2 CN(C)CC(=O)O SY001194 [0,0,0,0,2,0|1,0,0]=3 443 B6R0.2 CN(C)CC(=O)O SY005006 [0,0,0,0,2,0|1,0,0]=3 444 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,0,0,0,2,0|1,0,0]=3 445 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,0,0,0,2,0|1,0,0]=3 446 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,0,0,0,2,0|1,0,1]=4 447 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,0,0,0,2,0|1,0,0]=3 448 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,0,0,0,2,0|1,0,0]=3 449 B10R0.97 CC(C)=CCCCCC(=O)O SY253608 [0,0,0,0,0,2|0,0,1]=3