0 B8R0.7 CC(=O)CCCN=[N+]=[N-] AC8739 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.7 CC(=O)NCCCON D77273 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.1 C#CCCCCCN D76475 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.1 CCCNNCCC D79943 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.4 CCCCC[13C](=O)O 41454 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.4 C[S@](=O)CCCCN AT23964 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.4 NCCCCC(N)=O D77059 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 O=C(O)COCCBr C70239 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 O=C(O)COCCF AT25496 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.2 CNCCOCCC(=O)O C70436 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.2 NCCSSCCC(=O)O C70411 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.4 CCCC[C@H](C)CC(=O)O AC9392 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.38 CCOCCCS(N)(=O)=O AT20614 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.38 CS(=O)(=O)OCCCCCl D96361 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.46 C#CCCCCC(=O)OC AT21754 [0,1,0,0,0,0|0,0,2]=3 15 B9R0.46 COC(=O)CCOCCO C70644 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.46 COC(=O)CSCCCO AT19328 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.2 CCC1COCC(C)N1 F18880 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.2 CC[C@H]1COC[C@H](C)N1 F19142 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.2 CN[C@H]1CCCN(C)C1 D72293 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.2 CN[C@H]1CCCN(C)C1 D76621 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P18694 [0,0,0,1,0,0|1,0,2]=4 23 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.6 CC(=O)N1CCCNC1 AC8336 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.6 CN(C)[C@H]1CCCNC1 D75793 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.6 CN(C)[C@H]1CCCNC1 D75794 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.6 C[C@H](N)C1CCCCO1 79890 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.6 C[C@H](N)C1CCCCO1 79892 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.6 C[C@H](N)C1CCCCO1 79893 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.6 C[C@H](N)C1CCOCC1 AT13560 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.6 C[C@H](O)C1CCCCC1 AT26083 [0,0,0,1,0,0|0,0,2]=3 37 B9R1.6 C[C@H](O)C1CCNCC1 C77461 [0,0,0,1,0,0|1,0,2]=4 38 B9R1.6 N[S@@](=O)C1CCCCC1 D96431 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.6 O=C(O)[C@@H]1CSCCN1 AT23662 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.7 NCC[C@@H]1CNC(=O)C1 AT19064 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.7 O=C1C[C@H](CCO)CN1 AT19057 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.13 C[C@H](O)CN1CCCC1 AT24867 [0,0,0,1,0,0|1,0,2]=4 49 B9R1.40 C[C@@H]1CCNC[C@]1(C)O 73177 [0,0,0,1,0,0|1,0,2]=4 50 B9R1.40 C[C@H]1CCNC[C@]1(C)O 73178 [0,0,0,1,0,0|1,0,2]=4 51 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10755 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.41 CC(O)C1CCCN1C AT23389 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.41 CC1CCNC1C(=O)O E72830 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.41 CC1CNCC1C(=O)O AT17201 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O AT26861 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O F50029 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23383 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23388 [0,0,0,1,0,0|1,0,2]=4 59 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.41 C[C@H](O)[C@@H]1CCCN1C AT23387 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.41 O=C(O)C1CCCC1O AT25921 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.41 O=C(O)C1NCCC1F AT19446 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19444 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19445 [0,0,0,1,0,0|3,0,0]=4 68 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F AT19447 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P10890 [0,0,0,1,0,0|3,0,0]=4 70 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.48 C[C@H]1CNCC[C@@H](C)O1 E72987 [0,0,0,1,0,0|1,0,2]=4 73 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20135 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.84 O=C(O)CCC1CNC1 AT26044 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.84 O=C(O)CCC1COC1 52191 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.84 O=C(O)COC1CNC1 AT23441 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.96 CCN1CC[C@H]1C(=O)O E73037 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.96 CN(C)[C@H]1CC[C@@H]1CO P18110 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.96 CN(C)[C@H]1CC[C@H]1CO P18111 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.96 O=C(O)C1CCC1CO D75979 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.148 CC1(C)CCCCNC1 AT20042 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.148 C[C@]1(F)CCCCNC1 73124 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.148 C[C@]1(N)CCCCNC1 AT24711 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.148 C[C@]1(N)CCCNCC1 AT24712 [0,0,0,1,0,0|2,0,1]=4 86 B6R0.6 O=CNCCCF AT22548 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.4 CC(=O)CCCN C77428 [2,0,0,0,0,0|1,0,0]=3 88 B8R0.1 CCCC[C@H](N)CCO AT14318 [1,1,0,0,0,0|0,0,2]=4 89 B8R0.4 C#CCCCCCCBr AT14297 [1,1,0,0,0,0|0,0,2]=4 90 B8R0.4 C#CCCCCCCI AT14299 [1,1,0,0,0,0|0,0,2]=4 91 B8R0.4 C#CCCCCCCN AT24987 [1,1,0,0,0,0|0,0,2]=4 92 B8R0.4 C#CCCCCCCN D76981 [1,1,0,0,0,0|0,0,2]=4 93 B8R0.6 CCCCOC(=O)C=O 39366 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.8 CCCCC(=O)C(=O)[O-] D88060 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.8 CSCC[C@H](N)C(N)=O F10892 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.8 NCCC[C@H](O)C(=O)O D76509 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [1,1,0,0,0,0|2,0,0]=4 99 B10R0.22 O=P(O)(O)CCCCCCBr C70022 [0,2,0,0,0,0|2,0,0]=4 100 B10R0.74 C#CCCCCCC(=O)OC AT21753 [0,2,0,0,0,0|0,0,1]=3 101 B10R0.74 COC(=O)COCCCCO AT19930 [0,2,0,0,0,0|1,0,0]=3 102 B10R0.75 CSCCCC[C@H](N)C(=O)O 70962 [0,2,0,0,0,0|1,0,0]=3 103 B10R0.75 NCCCCC[C@H](N)C(=O)O AT25880 [0,2,0,0,0,0|1,0,0]=3 104 B10R0.97 CC(C)=CCCCCC(=O)O AC8774 [0,2,0,0,0,0|1,0,1]=4 105 B10R0.83 COC(=O)[C@@H](N)CCCCF AT15761 [0,2,0,0,0,0|1,0,0]=3 106 B10R0.83 COC(=O)[C@@H](N)CCCCF AT15765 [0,2,0,0,0,0|1,0,0]=3 107 B10R0.83 COC(=O)[C@@H](N)CCCCO AC3241 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.2 CC[C@H]1CCCCN1 I11451 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.2 CC[C@H]1CNCCN1 77623 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.2 NC[C@H]1CCCOC1 P12202 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.2 NC[C@H]1CCCOC1 P12792 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.2 O=C[C@H]1CCCOC1 AT10090 [1,0,0,1,0,0|1,0,0]=3 113 B8R1.2 O=C[C@H]1CCCOC1 AT10091 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.5 N[C@H]1COCCC1=O E73090 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.5 O=C1NCCC[C@@H]1O D77061 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.8 COC[C@H]1CCNC1 P12587 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.8 NOCC1CCCC1 Y11655 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.8 O=CC[C@H]1CCOC1 E72813 [1,0,0,1,0,0|1,0,0]=3 121 B8R1.10 OCCCC1CCC1 F52481 [1,0,0,1,0,0|0,0,2]=4 122 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [1,0,0,1,0,0|1,0,0]=3 123 B8R1.11 CN[C@H]1CCNC1=O AT19094 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.11 O=C1CCCN1CO D86008 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.12 CNC1CCC1OC AT11411 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.13 COCC1CCC1N AT20685 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.17 COC[C@H]1C[C@@H]1CN AT20748 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.17 COC[C@H]1C[C@@H]1CN AT20754 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.22 C[C@H]1CNCCCN1 D76103 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.22 C[C@H]1COCCCN1 AT11439 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.22 C[C@H]1COCCCN1 AT11440 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.22 F[C@H]1CCCCNC1 72488 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.22 F[C@H]1CCCCNC1 AT25232 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.22 F[C@H]1CCCCNC1 AT25234 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.22 O[C@H]1CCCCNC1 AT25228 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.22 O[C@H]1CCCCNC1 AT25231 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.22 SC1CCCCCC1 D76599 [1,0,0,1,0,0|0,1,1]=4 138 B8R1.36 NOCCCC1CC1 AT26811 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [1,0,0,1,0,0|1,0,0]=3 143 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [1,0,0,1,0,0|1,0,0]=3 144 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [1,0,0,1,0,0|1,0,0]=3 146 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.6 CCOC1CC(=O)C1 D75215 [1,0,0,1,0,0|1,0,0]=3 148 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.20 CC1CC1CC(=O)O E72880 [1,0,0,1,0,0|1,0,0]=3 150 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.31 O=C(O)C1CCC1O D74978 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.34 O=C(O)CN1CCC1 D96863 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.35 O=C(O)COC1CC1 AT13750 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [1,0,0,1,0,0|1,0,0]=3 159 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [1,0,0,1,0,0|1,0,0]=3 160 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [1,0,0,1,0,0|1,0,0]=3 161 B8R1.43 COC1CC1C(=O)O C77471 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.43 NCC1CC1C(=O)O P17932 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.43 O=C(O)C1CC1CO D75978 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [1,0,0,1,0,0|2,0,0]=4 172 B10R1.13 CN(C)[C@H]1CC[C@@H](N)CC1 AT26755 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.13 CN(C)[C@H]1CC[C@H](C)CC1 D74826 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 D96857 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 W17788 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 70212 [0,1,0,1,0,0|2,0,0]=4 177 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P12483 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.14 CCC(=O)[C@H]1CCC(=O)C1 F53408 [0,1,0,1,0,0|0,0,1]=3 179 B10R1.54 CC(C)C[C@H]1CCC(=O)C1 33492 [0,1,0,1,0,0|0,0,0]=2 180 B10R1.54 CN(C)C[C@@H]1CNC(=O)C1 AT19153 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.127 O=C(O)CCOC1COC1 E73094 [0,1,0,1,0,0|2,0,0]=4 182 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [0,1,0,1,0,0|0,0,0]=2 183 B10R1.10 CN1CCC[C@H](CCN)C1 P15064 [0,1,0,1,0,0|2,0,0]=4 184 B10R1.10 CN1CCC[C@H](CCN)C1 P15065 [0,1,0,1,0,0|2,0,0]=4 185 B10R1.18 CC(=O)N[C@H]1CCCNC1 D76222 [0,1,0,1,0,0|1,0,0]=3 186 B10R1.18 CC(C)C[C@H]1CCCNC1 D72183 [0,1,0,1,0,0|1,0,1]=4 187 B10R1.18 C[C@H](O)CN1CCCCC1 AT24869 [0,1,0,1,0,0|0,0,2]=4 188 B10R1.18 C[C@H](O)CN1CCCCC1 AT24870 [0,1,0,1,0,0|0,0,2]=4 189 B10R1.18 O=C(O)C[C@H]1CCCCN1 C16162 [0,1,0,1,0,0|1,0,0]=3 190 B10R1.18 O=C(O)C[C@H]1CNCCO1 77653 [0,1,0,1,0,0|2,0,0]=4 191 B10R1.18 O=C(O)C[C@H]1COCCO1 AT10088 [0,1,0,1,0,0|2,0,0]=4 192 B10R1.18 O=C(O)C[C@H]1COCCO1 AT10089 [0,1,0,1,0,0|2,0,0]=4 193 B10R1.61 CN(C)[C@@H]1CCCC[C@@H]1O AT22766 [0,1,0,1,0,0|2,0,0]=4 194 B10R1.61 CN(C)[C@@H]1CCCC[C@@H]1O AT22767 [0,1,0,1,0,0|2,0,0]=4 195 B10R1.61 CN(C)[C@@H]1CCCC[C@@H]1O AT22770 [0,1,0,1,0,0|2,0,0]=4 196 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O AT24543 [0,1,0,1,0,0|1,0,0]=3 197 B10R1.61 C[C@H]1CC=CC[C@@H]1C(=O)O C90677 [0,1,0,1,0,0|1,0,1]=4 198 B10R1.61 C[C@H]1CCNC[C@@H]1C(=O)O AT24544 [0,1,0,1,0,0|1,0,0]=3 199 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O 77691 [0,1,0,1,0,0|2,0,0]=4 200 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19395 [0,1,0,1,0,0|2,0,0]=4 201 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19405 [0,1,0,1,0,0|2,0,0]=4 202 B10R1.133 CNC[C@H]1CCCS1(=O)=O AT11760 [0,1,0,1,0,0|2,0,0]=4 203 B10R1.133 NCC[C@H]1CCCS1(=O)=O E73283 [0,1,0,1,0,0|2,0,0]=4 204 B10R1.300 CC1CCNCCC1(C)O 73164 [0,1,0,1,0,0|0,0,2]=4 205 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98555 [0,1,0,1,0,0|1,0,0]=3 206 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98556 [0,1,0,1,0,0|1,0,0]=3 207 B10R1.348 O=C(O)[C@@H]1CNCCCO1 AT24150 [0,1,0,1,0,0|2,0,0]=4 208 B10R1.348 O=C(O)[C@@H]1CNCCCO1 AT24151 [0,1,0,1,0,0|2,0,0]=4 209 B10R1.348 O=C(O)[C@H]1CCCCNC1 F16355 [0,1,0,1,0,0|1,0,0]=3 210 B10R1.348 O=C(O)[C@H]1CCCOCC1 85693 [0,1,0,1,0,0|1,0,0]=3 211 B10R1.348 O=C(O)[C@H]1CCCOCC1 85694 [0,1,0,1,0,0|1,0,0]=3 212 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 86842 [0,1,0,1,0,0|1,0,0]=3 213 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53765 [0,1,0,1,0,0|1,0,0]=3 214 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53766 [0,1,0,1,0,0|1,0,0]=3 215 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53812 [0,1,0,1,0,0|1,0,0]=3 216 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 E72824 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.281 CS(=O)(=O)C[C@H]1CCCN1 AT26757 [0,1,0,1,0,0|2,0,0]=4 218 B10R1.1 CCON1CCC(=O)CC1 92110 [0,1,0,1,0,0|2,0,0]=4 219 B10R1.2 CN1C(=O)COC[C@@H]1CO 56560 [0,1,0,1,0,0|2,0,0]=4 220 B10R1.7 N[C@H]1CCCCCC[C@@H]1O AT10943 [0,1,0,1,0,0|0,0,2]=4 221 B10R1.15 CCC(=O)N1CCCNC1 AC9409 [0,1,0,1,0,0|2,0,0]=4 222 B10R1.15 COC(=O)[C@@H]1CCCNN1 50468 [0,1,0,1,0,0|2,0,0]=4 223 B10R1.15 COC(=O)[C@@H]1CCCNN1 AT21728 [0,1,0,1,0,0|2,0,0]=4 224 B10R1.15 N[C@@H](CF)C1CCCCC1 AC5306 [0,1,0,1,0,0|1,0,1]=4 225 B10R1.15 N[C@@H](CF)C1CCCCC1 AC5309 [0,1,0,1,0,0|1,0,1]=4 226 B10R1.15 N[C@@H](CO)C1CCCCC1 AC7800 [0,1,0,1,0,0|1,0,1]=4 227 B10R1.15 O=C(CBr)[C@H]1CCCOC1 AT13307 [0,1,0,1,0,0|1,0,0]=3 228 B10R1.27 O=C(NO)OC1CCCC1 AT18212 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1O C14390 [0,1,0,1,0,0|1,0,0]=3 230 B10R1.149 COC(=O)[C@@H]1CNC[C@@H]1O E70030 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.149 COC(=O)[C@@H]1COC[C@@H]1N P14940 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23942 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23944 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1F AT23947 [0,1,0,1,0,0|2,0,0]=4 235 B10R1.149 COC(=O)[C@H]1NCC[C@H]1F AT23945 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.149 COC(=O)[C@H]1NCC[C@H]1F AT23946 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O P11674 [0,1,0,1,0,0|2,0,0]=4 238 B10R1.151 COC(=O)CCC1CNC1 AT26042 [0,1,0,1,0,0|1,0,0]=3 239 B10R1.151 COC(=O)COC1CNC1 AT23439 [0,1,0,1,0,0|2,0,0]=4 240 B10R1.157 COC(=O)C[C@@H]1C[C@@H]1CO F51543 [0,1,0,1,0,0|1,0,0]=3 241 B10R1.175 COC(=O)C1CCC1CO W15653 [0,1,0,1,0,0|1,0,0]=3 242 B10R1.113 CC(=O)[C@H]1CCCC(=O)C1 F53683 [0,1,0,1,0,0|0,0,1]=3 243 B10R1.113 CC(=O)[C@H]1CCNC(=O)C1 AC9648 [0,1,0,1,0,0|1,0,1]=4 244 B10R1.113 C[C@@H]1CCN[C@H](C(=O)O)C1 49325 [0,1,0,1,0,0|2,0,0]=4 245 B10R1.113 NC(=O)[C@H]1CCCC(=O)C1 D86046 [0,1,0,1,0,0|1,0,1]=4 246 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11799 [0,1,0,1,0,0|1,0,0]=3 247 B10R1.113 O=C(O)C1CC(O)CCN1 F53697 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.113 O=C1CCC[C@H](C(F)F)C1 C77401 [0,1,0,1,0,0|1,0,0]=3 249 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 69650 [0,1,0,1,0,0|1,0,0]=3 250 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 AT24787 [0,1,0,1,0,0|1,0,0]=3 251 B10R1.291 C[C@]1(C(=O)O)CCC[C@H]1N P12475 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.319 COC[C@@H]1C[C@@]1(N)C(=O)O 91881 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.319 COC[C@@H]1C[C@@]1(N)C(=O)O 91882 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.363 C[C@@]1(C(=O)O)CCCCO1 D76457 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.363 C[C@]1(C(=O)O)CCCNC1 55581 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.363 C[C@]1(C(=O)O)CCCNC1 AT26064 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.363 O=C(O)[C@]1(F)CCCNC1 D75222 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O C10565 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.128 O=C(O)[C@H]1CCCC1(F)F AT10210 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.352 O=C(O)CC[C@H]1CC1(F)F AT23750 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(F)F E73207 [0,1,0,1,0,0|2,0,0]=4 262 B10R2.31 O=C1CNC2CCC2N1 AT24536 [0,0,0,2,0,0|2,0,0]=4 263 B10R2.62 N[C@H]1CC2CCC1CC2 D75324 [0,0,0,2,0,0|1,0,1]=4 264 B10R2.62 O=C1CC2CCC1CN2 P19482 [0,0,0,2,0,0|1,0,0]=3 265 B10R2.62 O=C1CC2CCN1CC2 F52211 [0,0,0,2,0,0|1,0,0]=3 266 B10R2.71 O=C1CC2CCN(C1)C2 AT25954 [0,0,0,2,0,0|1,0,0]=3 267 B10R2.408 C1CC2CCCC(C1)N2 CS2775 [0,0,0,2,0,0|1,0,1]=4 268 B10R2.534 N[C@H]1CCCC2(CC2)C1 P12702 [0,0,0,2,0,0|1,0,1]=4 269 B10R2.534 O=C1CCOC2(CC2)C1 AT24691 [0,0,0,2,0,0|1,0,0]=3 270 B10R2.1 N[C@H]1CC12CCCCC2 F53639 [0,0,0,2,0,0|1,0,1]=4 271 B10R2.320 N[C@@H]1C[C@@H]2CCCC[C@@H]21 E73256 [0,0,0,2,0,0|1,0,1]=4 272 B10R2.320 O=C1CC2OCCCC12 33449 [0,0,0,2,0,0|1,0,0]=3 273 B10R2.320 O=C1C[C@@H]2CCCC[C@H]12 E73250 [0,0,0,2,0,0|0,0,0]=2 274 B10R2.344 O=C(O)C12CC1CCN2 C13461 [0,0,0,2,0,0|2,0,0]=4 275 B10R2.344 O=C(O)C12CC1CCN2 P10540 [0,0,0,2,0,0|2,0,0]=4 276 B10R2.344 O=C(O)C12CNCC1C2 P12521 [0,0,0,2,0,0|2,0,0]=4 277 B10R2.344 O=C(O)[C@]12CC1CCN2 P14128 [0,0,0,2,0,0|2,0,0]=4 278 B10R2.344 O=C(O)[C@]12CC1CCN2 P14935 [0,0,0,2,0,0|2,0,0]=4 279 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 AT21890 [0,0,0,2,0,0|2,0,0]=4 280 B10R2.345 O=C(O)C12CCC1CC2 AT11072 [0,0,0,2,0,0|1,0,0]=3 281 B10R2.351 NC(=O)C1C2COCC21 F30797 [0,0,0,2,0,0|2,0,0]=4 282 B10R2.351 O=C(O)C1C2CCCC21 D72856 [0,0,0,2,0,0|1,0,0]=3 283 B10R2.351 O=C(O)[C@H]1[C@H]2COC[C@H]21 P12607 [0,0,0,2,0,0|2,0,0]=4 284 B10R2.355 O=C(O)C1CNC2CC21 91928 [0,0,0,2,0,0|2,0,0]=4 285 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P10334 [0,0,0,2,0,0|2,0,0]=4 286 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P20010 [0,0,0,2,0,0|2,0,0]=4 287 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 P10238 [0,0,0,2,0,0|2,0,0]=4 288 B10R2.357 NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 O10013 [0,0,0,2,0,0|2,0,0]=4 289 B10R2.357 O=C(O)C1CC2CC2N1 91929 [0,0,0,2,0,0|2,0,0]=4 290 B10R2.2 O=C1CC2CCCC2C1 AT20192 [0,0,0,2,0,0|0,0,0]=2 291 B10R2.2 O=C1C[C@@H]2CCCN2C1 D74394 [0,0,0,2,0,0|1,0,0]=3 292 B10R2.2 O=C1C[C@@H]2CCC[C@@H]2C1 AT20194 [0,0,0,2,0,0|0,0,0]=2 293 B10R2.2 O=C1C[C@H]2CCO[C@H]2O1 D74252 [0,0,0,2,0,0|2,0,0]=4 294 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 D96566 [0,0,0,2,0,0|1,0,0]=3 295 B10R2.2 OC1CC2CCCC2C1 AT20124 [0,0,0,2,0,0|0,0,2]=4 296 B10R2.14 O=C1CC[C@@H](C2CC2)N1 AT19190 [0,0,0,2,0,0|1,0,0]=3 297 B10R2.32 O=C1CC[C@@H]2CCC[C@H]12 E73246 [0,0,0,2,0,0|0,0,0]=2 298 B10R2.32 O=C1NCC2CCCC12 AT20359 [0,0,0,2,0,0|1,0,0]=3 299 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 P15658 [0,0,0,2,0,0|2,0,0]=4 300 B10R2.32 O=C1NC[C@@H]2COC[C@H]12 D79547 [0,0,0,2,0,0|2,0,0]=4 301 B10R2.332 O=C1CCC2(CNC2)N1 AT19168 [0,0,0,2,0,0|2,0,0]=4 302 B10R2.332 O=C1CCC2(CNC2)N1 F53716 [0,0,0,2,0,0|2,0,0]=4 303 B10R2.346 O=C(O)[C@H]1NC2CC1C2 AT22907 [0,0,0,2,0,0|2,0,0]=4 304 B10R2.177 CC12CC(=O)CCC1C2 P13990 [0,0,0,2,0,0|0,0,0]=2 305 B10R2.633 CC(=O)[C@H]1C[C@@H]1C2CC2 E73057 [0,0,0,2,0,0|0,0,0]=2 306 B10R2.633 O=C(O)[C@H]1C[C@@H]1C2CC2 E72919 [0,0,0,2,0,0|1,0,0]=3 307 B10R2.638 O=C(O)[C@H]1CC12CNC2 AT12847 [0,0,0,2,0,0|2,0,0]=4 308 B10R2.358 O=C(O)[C@H]1NCC12CC2 AT24285 [0,0,0,2,0,0|2,0,0]=4