0 B8R0.7 C#CCCCCC(=O)O H43713 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C#CCOCCC(=O)O P43310 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 C=CCCCCC(=O)O H63383 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.7 CC(C)NCCCCO I38536 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.7 CCCCCCB(O)O H41623 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.7 CCNCCCN(C)C E11170 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.7 CN(C)CCOCCO D68347 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.7 COCCOCC(=O)O M37948 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.7 N=C(N)NCCCCN A37883 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.7 N=C(N)NCCCCN A41393 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.7 NCCOCCC(=O)O A40415 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.7 O=C(O)CCCCCBr B67880 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.7 O=C(O)CCCCCCl C41527 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.7 O=C(O)CCOCCBr B41274 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.7 O=C([O-])CCCCCO P41406 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.1 BrCCCCCCBr D41534 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.1 C#CCCCCCO H67855 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.1 C=CCCCCCBr B43831 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.1 C=CCCCCNC M43901 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.1 C=CCCCCNC M46504 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.1 CCCCCCCBr B43897 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.1 CCCCCCC[Mg+] H31707 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.1 CCCCCN=[N+]=[N-] A1948 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.1 CNCCCCNC D41624 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 COCCOCCI K40420 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.1 COCCOCCN M38824 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.1 ClCCCCCCBr B39200 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 ClCCCCCCI C38559 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 ICCCCCCI D41535 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 NCCCCCCN H68834 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 NCCCCCCO A36606 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.1 O=CCCCCC=O A3137 [1,0,0,0,0,0|1,0,1]=3 35 B7R0.1 OCCCCCCBr B41603 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.1 OCCCCCCCl C64682 [1,0,0,0,0,0|1,0,2]=4 37 B7R0.1 OCCCCCCI I4468 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.1 [N-]=[N+]=NCCCC=O A3802 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.4 C#CCCCC(=O)O H43301 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.4 CC(=O)CCCCBr B41532 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.4 CC(=O)OCCCBr B41266 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.4 CC(=O)OCCCCl C39190 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.4 CC(C)CCCCBr B43898 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 CCCCCB(O)O P38628 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|0,0,2]=3 46 B7R0.4 CCCCOC(N)=O B39165 [1,0,0,0,0,0|2,0,0]=3 47 B7R0.4 CCCOCC(=O)O P40387 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.4 CN(C)CCCCO D41621 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.4 CNCCCC(=O)O M63276 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 COCCCC(=O)O M67387 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.4 COCCNC(N)=O M36648 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.4 N#CCCCC(=O)O C41166 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.4 NC(=O)COCCCl C40247 [1,0,0,0,0,0|3,0,0]=4 55 B7R0.4 O=C(O)CCCCBr B39187 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.4 O=C(O)CCCCCl C39191 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.4 O=C(O)CCCCO H37199 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.4 O=C(O)CNCCO H40270 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.4 O=C(O)COCCCl C40236 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.4 O=C([O-])CCCCO S41306 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,1,0,0,0,0|2,0,1]=4 64 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,0,0,0,0|1,0,1]=3 65 B9R0.2 CC(=O)OCCCCCBr B43861 [0,1,0,0,0,0|1,0,0]=2 66 B9R0.2 CC(C)NCCCCCO I38899 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.2 CCCCCCCB(O)O H43957 [0,1,0,0,0,0|2,0,1]=4 68 B9R0.2 NCCCCCCC(=O)O A46516 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.2 NCCCCCCC(=O)O A67452 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.2 O=C(O)CCCCCCBr B43862 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.2 O=C(O)CCCCCCO H36659 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.2 [N-]=[N+]=NCCCCC(=O)O A1942 [0,1,0,0,0,0|3,0,0]=4 73 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.38 CCCCCCS(=O)(=O)[O-] S41600 [0,1,0,0,0,0|2,0,0]=3 75 B9R0.38 CCCCCCS(=O)(=O)[O-] S41601 [0,1,0,0,0,0|2,0,0]=3 76 B9R0.38 C[N+](C)(C)CCCCCBr B47213 [0,1,0,0,0,0|3,0,0]=4 77 B9R0.46 C=CC(=O)NCCCCO H43842 [0,1,0,0,0,0|2,0,1]=4 78 B9R0.46 CC[C@H](C)CCCCCO M50614 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.46 COC(=O)CCCCCBr M39296 [0,1,0,0,0,0|1,0,0]=2 80 B9R0.46 COC(=O)CCCCCN M67967 [0,1,0,0,0,0|1,0,0]=2 81 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [0,1,0,0,0,0|1,0,2]=4 82 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,1,0,0,0,0|1,0,0]=2 83 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,1,0,0,0,0|1,0,0]=2 85 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,1,0,0,0,0|2,0,0]=3 86 B9R0.47 NCCCC[C@H](N)C(N)=O D43569 [0,1,0,0,0,0|2,0,0]=3 87 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,1,0,0,0,0|1,0,1]=3 89 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,1,0,0,0,0|2,0,1]=4 90 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,1,0,0,0,0|1,0,1]=3 91 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,1,0,0,0,0|1,0,1]=3 92 B9R1.2 CC1CCCC(CO)N1 M13497 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.2 CN1CCC[C@@H](CN)C1 M7250 [0,0,0,1,0,0|3,0,0]=4 95 B9R1.2 CN1CCC[C@@H](CN)C1 M7515 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [0,0,0,1,0,0|3,0,0]=4 97 B9R1.2 CN1CCC[C@H](CN)C1 M0254 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.2 CN1CCC[C@H](CN)C1 M12326 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.2 CN1CCC[C@H](CN)C1 M7251 [0,0,0,1,0,0|3,0,0]=4 100 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.2 CN[C@H]1CCCN(C)C1 D63768 [0,0,0,1,0,0|3,0,0]=4 102 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,0,0,1,0,0|1,0,2]=4 103 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,0,0,1,0,0|1,0,1]=3 104 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,0,0,1,0,0|2,0,0]=3 105 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,0,0,1,0,0|2,0,0]=3 106 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,0,0,1,0,0|2,0,0]=3 108 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,0,0,1,0,0|0,0,0]=1 109 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,0,0,1,0,0|1,0,0]=2 111 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.6 CN(C)C1CCNCC1 D23980 [0,0,0,1,0,0|3,0,0]=4 113 B9R1.6 CN(C)C1CCNCC1 D46522 [0,0,0,1,0,0|3,0,0]=4 114 B9R1.6 CN(C)C1CCNCC1 D46603 [0,0,0,1,0,0|3,0,0]=4 115 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,0,0,1,0,0|1,0,1]=3 116 B9R1.6 N=C(N)C1CCOCC1 T7867 [0,0,0,1,0,0|3,0,0]=4 117 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [0,0,0,1,0,0|2,0,0]=3 123 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,0,0,1,0,0|2,0,0]=3 124 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,0,0,1,0,0|1,0,0]=2 125 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,0,0,1,0,0|1,0,2]=4 131 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,0,0,1,0,0|1,0,2]=4 132 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,0,0,1,0,0|3,0,0]=4 138 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,0,0,1,0,0|3,0,0]=4 139 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,0,0,1,0,0|3,0,0]=4 140 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,0,0,1,0,0|3,0,0]=4 142 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,0,0,1,0,0|3,0,0]=4 143 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,0,0,1,0,0|3,0,0]=4 144 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,0,0,1,0,0|3,0,0]=4 145 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,0,0,1,0,0|1,0,2]=4 147 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,0,0,1,0,0|2,0,0]=3 149 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,0,0,1,0,0|2,0,0]=3 150 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,0,0,1,0,0|2,0,0]=3 151 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,0,0,1,0,0|3,0,0]=4 153 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,0,0,1,0,0|3,0,0]=4 154 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,0,0,1,0,0|3,0,0]=4 155 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,0,0,1,0,0|3,0,0]=4 156 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,0,0,1,0,0|3,0,0]=4 158 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,0,0,1,0,0|3,0,0]=4 159 B9R1.6 OB(O)C1CCCCC1 C2380 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,0,0,1,0,0|1,0,0]=2 161 B9R1.7 CCN[C@H]1CCN(C)C1 E11171 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.7 CN1CC[C@H](CCN)C1 M10321 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.7 CN1CC[C@H](CCO)C1 M7517 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [0,0,0,1,0,0|2,0,0]=3 165 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [0,0,0,1,0,0|2,0,0]=3 166 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [0,0,0,1,0,0|2,0,0]=3 167 B9R1.13 CN(C)C[C@@H]1CCCN1 D1126 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.13 CN(C)C[C@@H]1CCCN1 D14240 [0,0,0,1,0,0|3,0,0]=4 169 B9R1.13 CN(C)C[C@H]1CCCN1 D11352 [0,0,0,1,0,0|3,0,0]=4 170 B9R1.13 CN(C)C[C@H]1CCNC1 D1147 [0,0,0,1,0,0|3,0,0]=4 171 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,0,0,1,0,0|2,0,0]=3 172 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,0,0,1,0,0|1,0,0]=2 173 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,0,0,1,0,0|2,0,0]=3 174 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,0,0,1,0,0|2,0,0]=3 175 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,0,0,1,0,0|2,0,0]=3 176 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,0,0,1,0,0|2,0,0]=3 177 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,0,0,1,0,0|2,0,0]=3 178 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,0,0,1,0,0|2,0,0]=3 179 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,0,0,1,0,0|2,0,0]=3 180 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,0,0,1,0,0|2,0,0]=3 181 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,0,0,1,0,0|2,0,0]=3 182 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,0,0,1,0,0|2,0,0]=3 183 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,0,0,1,0,0|2,0,0]=3 184 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,0,0,1,0,0|2,0,0]=3 185 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,0,0,1,0,0|2,0,0]=3 187 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,0,0,1,0,0|2,0,0]=3 188 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,0,0,1,0,0|2,0,0]=3 190 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,0,0,1,0,0|2,0,0]=3 191 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,0,0,1,0,0|2,0,0]=3 192 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,0,0,1,0,0|3,0,0]=4 194 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,0,0,1,0,0|3,0,0]=4 195 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,0,0,1,0,0|3,0,0]=4 196 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,0,0,1,0,0|3,0,0]=4 197 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,0,0,1,0,0|3,0,0]=4 201 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,0,0,1,0,0|3,0,0]=4 202 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,1,0,0|2,0,0]=3 203 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,0,0,1,0,0|1,0,1]=3 204 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,0,0,1,0,0|2,0,1]=4 205 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,1,0,0|0,0,0]=1 206 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,1,0,0|1,0,0]=2 207 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,0,0,1,0,0|2,0,0]=3 208 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,0,0,1,0,0|2,0,0]=3 209 B9R1.148 C[C@]1(O)CCCNCC1 H10268 [0,0,0,1,0,0|1,0,2]=4 210 B9R1.148 O=S1(=O)CCCNCC1 T6238 [0,0,0,1,0,0|3,0,0]=4 211 B6R0.6 C=CCCCCBr B9212 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.6 C=CCCCCO H41549 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.6 C=CCCCC[Mg+] H5025 [2,0,0,0,0,0|1,0,1]=4 214 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.6 CCCCCC[Mg+] H31703 [2,0,0,0,0,0|1,0,0]=3 216 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|1,0,0]=3 217 B6R0.6 CNCCCCBr B40429 [2,0,0,0,0,0|2,0,0]=4 218 B6R0.6 CNCCCCO M38840 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.6 COCCCCBr B40422 [2,0,0,0,0,0|2,0,0]=4 220 B6R0.6 ClCCCCCBr B39164 [2,0,0,0,0,0|2,0,0]=4 221 B6R0.6 FCCCCCBr B37978 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.6 ICCCCCI D24633 [2,0,0,0,0,0|2,0,0]=4 223 B6R0.6 O=CCCCCCl C41277 [2,0,0,0,0,0|1,0,0]=3 224 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|1,0,0]=3 225 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.4 CC(=O)NCCN A68626 [2,0,0,0,0,0|2,0,0]=4 227 B6R0.4 CC(=O)NCCO H68625 [2,0,0,0,0,0|2,0,0]=4 228 B6R0.4 CC(=O)OCCBr B67892 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 230 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|1,0,0]=3 231 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|2,0,0]=4 233 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|2,0,0]=4 234 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 235 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|2,0,0]=4 236 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|2,0,0]=4 237 B8R0.1 CCCC[C@H](N)CCO A62132 [1,1,0,0,0,0|0,0,2]=4 238 B8R0.4 BrCCCCCCCBr D43869 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.4 C#CCCCCCCO O5669 [1,1,0,0,0,0|0,0,2]=4 240 B8R0.4 C=CCCCCCCCl C47108 [1,1,0,0,0,0|0,0,1]=3 241 B8R0.4 CCCCCCCNC M47212 [1,1,0,0,0,0|0,0,1]=3 242 B8R0.4 CCCCCCN=[N+]=[N-] A1818 [1,1,0,0,0,0|2,0,0]=4 243 B8R0.4 COCCCCCCBr B43941 [1,1,0,0,0,0|1,0,0]=3 244 B8R0.4 COCCNCCOC B64968 [1,1,0,0,0,0|2,0,0]=4 245 B8R0.4 OCCCCCCCBr B43940 [1,1,0,0,0,0|0,0,2]=4 246 B8R0.6 CCCCC[C@@H](O)CC X47206 [1,1,0,0,0,0|0,0,1]=3 247 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|1,0,0]=3 248 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [1,1,0,0,0,0|1,0,0]=3 249 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [1,1,0,0,0,0|2,0,0]=4 250 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [1,1,0,0,0,0|2,0,0]=4 251 B8R0.21 CCCCCS(=O)(=O)[O-] S40421 [1,1,0,0,0,0|2,0,0]=4 252 B8R0.21 CCCCCS(N)(=O)=O P29872 [1,1,0,0,0,0|2,0,0]=4 253 B8R0.21 CCCCOS(C)(=O)=O B69150 [1,1,0,0,0,0|2,0,0]=4 254 B8R0.28 CC(=O)CCC=C(C)C M68353 [1,1,0,0,0,0|0,0,2]=4 255 B8R0.28 CC(=O)CCCC(=O)O A41468 [1,1,0,0,0,0|1,0,1]=4 256 B8R0.28 CN(C)CCCC(=O)O D43497 [1,1,0,0,0,0|2,0,0]=4 257 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,2,0,0,0,0|1,0,1]=4 258 B10R0.3 CC(C)=CCC[C@H](C)CCO D53336 [0,2,0,0,0,0|1,0,1]=4 259 B10R0.3 CC(C)CCC[C@H](C)CCBr B53343 [0,2,0,0,0,0|1,0,1]=4 260 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [0,2,0,0,0,0|1,0,1]=4 261 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,2,0,0,0,0|0,0,1]=3 262 B10R0.4 CCCCCCCCC(C)=O D53335 [0,2,0,0,0,0|0,0,0]=2 263 B10R0.4 NCCCCCCCC(=O)O A69217 [0,2,0,0,0,0|1,0,0]=3 264 B10R0.4 NCCOCCOCC(=O)O A41596 [0,2,0,0,0,0|2,0,0]=4 265 B10R0.4 NCCOCCOCC(=O)O A43505 [0,2,0,0,0,0|2,0,0]=4 266 B10R0.4 O=C(O)CCCCCCCBr B47140 [0,2,0,0,0,0|1,0,0]=3 267 B10R0.4 O=C(O)COCCOCCCl C61801 [0,2,0,0,0,0|2,0,0]=4 268 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O A1945 [0,2,0,0,0,0|2,0,0]=4 269 B10R0.22 CCCCCCOS(C)(=O)=O H43951 [0,2,0,0,0,0|1,0,0]=3 270 B10R0.55 COC(=O)CCCCC(=O)[O-] M43784 [0,2,0,0,0,0|1,0,1]=4 271 B10R0.55 COC(=O)CCCCC(C)=O M47094 [0,2,0,0,0,0|0,0,1]=3 272 B10R0.74 CCCCCCCC(=O)NO X67416 [0,2,0,0,0,0|1,0,0]=3 273 B10R0.74 CC\C=C/CCOC(=O)CC H39554 [0,2,0,0,0,0|0,0,2]=4 274 B10R0.74 COC(=O)CCCCCCBr M47141 [0,2,0,0,0,0|0,0,0]=2 275 B10R0.74 COC(=O)CCCCCCN M49584 [0,2,0,0,0,0|0,0,0]=2 276 B10R0.74 NCC(=O)NCCCCCBr A43903 [0,2,0,0,0,0|1,0,0]=3 277 B10R0.75 CCCCCC[C@H](N)C(=O)O A37358 [0,2,0,0,0,0|1,0,0]=3 278 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [0,2,0,0,0,0|0,0,1]=3 279 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,2,0,0,0,0|1,0,0]=3 280 B10R0.1 CCOC(=O)CCCCCO E47160 [0,2,0,0,0,0|1,0,0]=3 281 B10R0.83 COC(=O)[C@H](N)CCCCN M46606 [0,2,0,0,0,0|1,0,0]=3 282 B8R1.2 BrCC1CCCCC1 B43832 [1,0,0,1,0,0|1,0,1]=4 283 B8R1.2 BrC[C@H]1CCCOC1 B8026 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.2 CCC1COCCN1 O5554 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.2 CC[C@@H]1CNCCN1 E67103 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.2 CC[C@H]1CCCCN1 E46502 [1,0,0,1,0,0|1,0,1]=4 287 B8R1.2 CC[C@H]1CNCCN1 E13389 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.2 CC[C@H]1CNCCN1 E13401 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.2 CC[C@H]1CNCCN1 E65175 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.2 CC[C@H]1COCCN1 E22377 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.2 CNC1CCNCC1 M13774 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.2 CNC1CCOCC1 M10218 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.2 CN[C@H]1CCCNC1 M43509 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.2 CN[C@H]1CCCNC1 M43560 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.2 COC1CCNCC1 M0482 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.2 COC1CCNCC1 M1164 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.2 CO[C@@H]1CCCNC1 M10269 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.2 CO[C@@H]1CCCNC1 M10270 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.2 CO[C@H]1CCCNC1 M10271 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.2 CO[C@H]1CCCNC1 M1167 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.2 CO[C@H]1CCCNC1 M7502 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.2 ICC1CCCCC1 I38363 [1,0,0,1,0,0|1,0,1]=4 303 B8R1.2 N#CC1CCCCC1 C69224 [1,0,0,1,0,0|1,0,1]=4 304 B8R1.2 NCC1CCCCC1 C43900 [1,0,0,1,0,0|1,0,1]=4 305 B8R1.2 NC[C@@H]1CCCOC1 T14517 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.2 NC[C@H]1CCCNC1 P60926 [1,0,0,1,0,0|2,0,0]=4 307 B8R1.2 NC[C@H]1CCCOC1 A14515 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.2 NC[C@H]1CCCOC1 T14516 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.2 NNC1CCCCC1 C43508 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.2 O=CC1CCOCC1 T0115 [1,0,0,1,0,0|1,0,0]=3 311 B8R1.2 O=CC1CCSCC1 T31827 [1,0,0,1,0,0|1,0,0]=3 312 B8R1.2 O=CN1CCCCC1 P68910 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.2 O=CN1CCOCC1 M68909 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [1,0,0,1,0,0|1,0,1]=4 315 B8R1.2 OC[C@@H]1CCCNC1 P41579 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.2 OC[C@@H]1CCCNC1 P60999 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.2 OC[C@@H]1CCCOC1 X59846 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.2 OC[C@H]1CCCNC1 P0762 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.2 OC[C@H]1CCCNC1 P41576 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.2 OC[C@H]1CCCOC1 H11515 [1,0,0,1,0,0|2,0,0]=4 321 B8R1.2 OC[C@H]1CCCOC1 X59849 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.2 ONC1CCCCC1 C43480 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.2 [Mg+]CC1CCCCC1 C31706 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.5 CC1=NCCCN1C D39201 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.5 CN1CCNCC1=O M12652 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.5 CN1CCNCC1=O M4395 [1,0,0,1,0,0|2,0,0]=4 327 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.5 C[C@@H]1CNCCN1C D10718 [1,0,0,1,0,0|2,0,0]=4 329 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,0,0,1,0,0|0,0,0]=2 330 B8R1.5 C[C@H]1CCCNC1=O P23372 [1,0,0,1,0,0|1,0,0]=3 331 B8R1.5 C[C@H]1CCNCC1=O M14887 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.5 C[C@H]1CNCCC1=O M14880 [1,0,0,1,0,0|1,0,0]=3 333 B8R1.5 C[C@H]1CNCCC1=O M41497 [1,0,0,1,0,0|1,0,0]=3 334 B8R1.5 C[C@H]1CNCCN1C D11166 [1,0,0,1,0,0|2,0,0]=4 335 B8R1.5 C[C@H]1CNCCN1C D23865 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.5 C[C@H]1CNCCN1C D41606 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.5 C[C@H]1COCCC1=O M11408 [1,0,0,1,0,0|1,0,0]=3 338 B8R1.5 NN1CCCCC1=O A41312 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.5 N[C@@H]1CCCNC1=O A41314 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.5 N[C@H]1CCCCC1=O A63504 [1,0,0,1,0,0|1,0,0]=3 341 B8R1.5 N[C@H]1CCCNC1=O A38933 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.5 N[C@H]1CCCNC1=O A41313 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.5 N[C@H]1CCCNC1=O A64847 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.5 O=C1CCCCC1=O C67839 [1,0,0,1,0,0|1,0,1]=4 345 B8R1.5 O=C1CCNC[C@@H]1F F11694 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.5 O=C1CCNC[C@@H]1F F13759 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.5 O=C1CCOC[C@@H]1F F5739 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.5 O=C1NCCC[C@@H]1O H36756 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.8 CCO[C@@H]1CCNC1 E13930 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.8 CCO[C@H]1CCNC1 E14045 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.8 CNC[C@H]1CCOC1 M1347 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.8 COC[C@@H]1CCCN1 M14243 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.8 COC[C@@H]1CCNC1 M14792 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.8 COC[C@@H]1CCNC1 M31656 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.8 COC[C@H]1CCCN1 M14242 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.8 COC[C@H]1CCNC1 M14793 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.8 COC[C@H]1CCNC1 M26667 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.8 COC[C@H]1CCNC1 M41581 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.8 NCCC1CCCC1 C46503 [1,0,0,1,0,0|1,0,1]=4 362 B8R1.8 OCC[C@H]1CCNC1 P29904 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.11 CC[C@H]1CCCC1=O E43799 [1,0,0,1,0,0|0,0,0]=2 364 B8R1.11 CN1CCC[C@@H]1CN M8172 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.11 CN1CCC[C@@H]1CO M14129 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.11 CN1CCC[C@@H]1CO M41582 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.11 CN1CCC[C@H]1CBr B41540 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.11 CN1CCC[C@H]1CN M0297 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.11 CN1CCC[C@H]1CN M43564 [1,0,0,1,0,0|2,0,0]=4 370 B8R1.11 CN1CCC[C@H]1CO M12480 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.11 O=C1CCC[C@@H]1CO H41464 [1,0,0,1,0,0|1,0,0]=3 373 B8R1.11 O=C1NCC[C@@H]1CO H13645 [1,0,0,1,0,0|2,0,0]=4 374 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [1,0,0,1,0,0|2,0,0]=4 375 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [1,0,0,1,0,0|2,0,0]=4 376 B8R1.22 CN1CCCNCC1 M1344 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.22 N[C@@H]1CCCCNC1 A14699 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.22 N[C@H]1CCCCNC1 A41604 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,1,0,0|0,0,2]=4 380 B8R1.22 O=C1CCCNCC1 H12307 [1,0,0,1,0,0|1,0,0]=3 381 B8R1.22 O=C1CCOCCN1 X16165 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.22 O=C1CCSCCN1 T6235 [1,0,0,1,0,0|2,0,0]=4 383 B8R1.22 O=C1CNCCCN1 D38834 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [1,0,0,1,0,0|2,0,0]=4 388 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [1,0,0,1,0,0|2,0,0]=4 389 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [1,0,0,1,0,0|2,0,0]=4 392 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [1,0,0,1,0,0|2,0,0]=4 393 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [1,0,0,1,0,0|2,0,0]=4 397 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [1,0,0,1,0,0|2,0,0]=4 398 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [1,0,0,1,0,0|2,0,0]=4 399 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [1,0,0,1,0,0|2,0,0]=4 400 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [1,0,0,1,0,0|2,0,0]=4 401 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,1,0,0|2,0,0]=4 402 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|1,0,0]=3 403 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|2,0,0]=4 405 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|1,0,0]=3 406 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|1,0,0]=3 407 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [1,0,0,1,0,0|2,0,0]=4 408 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [1,0,0,1,0,0|2,0,0]=4 409 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|1,0,0]=3 410 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|1,0,0]=3 411 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|1,0,0]=3 412 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|1,0,0]=3 413 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|1,0,0]=3 414 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|1,0,0]=3 415 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|1,0,0]=3 416 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [1,0,0,1,0,0|2,0,0]=4 417 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 418 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 419 B8R1.4 O=C1CCCC(=O)C1 C38740 [1,0,0,1,0,0|1,0,1]=4 420 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|2,0,0]=4 421 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|2,0,0]=4 422 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|0,0,0]=2 423 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [1,0,0,1,0,0|2,0,0]=4 424 B8R1.7 C[C@H](N)C1CCCC1 C31670 [1,0,0,1,0,0|1,0,1]=4 425 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [1,0,0,1,0,0|2,0,0]=4 427 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [1,0,0,1,0,0|2,0,0]=4 431 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [1,0,0,1,0,0|2,0,0]=4 433 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|1,0,0]=3 437 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,1,0,0|2,0,0]=4 438 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,1,0,0|2,0,0]=4 442 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,1,0,0|2,0,0]=4 443 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,1,0,0|2,0,0]=4 444 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,1,0,0|2,0,0]=4 445 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,1,0,0|2,0,0]=4 446 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,1,0,0|2,0,0]=4 447 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,1,0,0|2,0,0]=4 448 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,1,0,0|2,0,0]=4 449 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,1,0,0|2,0,0]=4 450 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.31 CC1NCC1C(=O)O M27890 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [1,0,0,1,0,0|2,0,0]=4 455 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [1,0,0,1,0,0|2,0,0]=4 456 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [1,0,0,1,0,0|2,0,0]=4 457 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.31 O=C(O)C1CCC1F F59749 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.34 CC(=O)NC1CNC1 A1331 [1,0,0,1,0,0|2,0,0]=4 461 B8R1.34 CC(=O)OC1CNC1 A41259 [1,0,0,1,0,0|2,0,0]=4 462 B8R1.34 CC(=O)OC1CNC1 A43595 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.34 CC(=O)SC1CNC1 T12525 [1,0,0,1,0,0|2,0,0]=4 464 B8R1.34 O=C(O)CC1CCC1 C24745 [1,0,0,1,0,0|1,0,0]=3 465 B8R1.34 O=C(O)CC1CNC1 A10213 [1,0,0,1,0,0|2,0,0]=4 466 B8R1.34 O=C(O)CC1COC1 X6649 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.72 CC1(O)CCCCC1 M43886 [1,0,0,1,0,0|0,0,2]=4 468 B10R1.13 CC(=O)C1CCN(C)CC1 A61485 [0,1,0,1,0,0|1,0,0]=3 469 B10R1.13 CC(=O)N1CCC(=O)CC1 A38504 [0,1,0,1,0,0|1,0,1]=4 470 B10R1.13 CC(=O)N1CCC(Cl)CC1 C38339 [0,1,0,1,0,0|1,0,0]=3 471 B10R1.13 CC(=O)N1CCC(N)CC1 A12231 [0,1,0,1,0,0|1,0,0]=3 472 B10R1.13 CC(=O)N1CCC(N)CC1 A12232 [0,1,0,1,0,0|1,0,0]=3 473 B10R1.13 CC(=O)N1CCC(O)CC1 H7831 [0,1,0,1,0,0|1,0,0]=3 474 B10R1.13 CC(=O)N1CCN(C)CC1 M43876 [0,1,0,1,0,0|2,0,0]=4 475 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,1,0,1,0,0|1,0,0]=3 476 B10R1.13 CN(C)C1CCC(N)CC1 D49684 [0,1,0,1,0,0|2,0,0]=4 477 B10R1.13 CN(C)C1CCC(O)CC1 D38821 [0,1,0,1,0,0|2,0,0]=4 478 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [0,1,0,1,0,0|2,0,0]=4 479 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [0,1,0,1,0,0|2,0,0]=4 480 B10R1.13 CN1CCC(C(N)=O)CC1 M3856 [0,1,0,1,0,0|2,0,0]=4 481 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,1,0,1,0,0|1,0,0]=3 482 B10R1.13 NC(=O)C1CCC(=O)CC1 X69547 [0,1,0,1,0,0|1,0,1]=4 483 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,1,0,1,0,0|1,0,0]=3 484 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,1,0,1,0,0|1,0,0]=3 485 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,1,0,1,0,0|1,0,0]=3 486 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,1,0,1,0,0|1,0,0]=3 487 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,1,0,1,0,0|1,0,0]=3 488 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,1,0,1,0,0|1,0,0]=3 491 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [0,1,0,1,0,0|2,0,0]=4 492 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,1,0,1,0,0|1,0,0]=3 494 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,1,0,1,0,0|1,0,1]=4 495 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,1,0,1,0,0|1,0,1]=4 496 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,1,0,1,0,0|1,0,1]=4 497 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,1,0,1,0,0|1,0,1]=4 498 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 H69795 [0,1,0,1,0,0|2,0,0]=4 499 B10R1.54 O=C1CC[C@H](C[N+](=O)[O-])C1 N43386 [0,1,0,1,0,0|2,0,0]=4 500 B10R1.150 COC(=O)CC1CC(=O)C1 M16790 [0,1,0,1,0,0|1,0,1]=4 501 B10R1.153 COC(=O)CCNC1CC1 M43848 [0,1,0,1,0,0|1,0,0]=3 502 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C D30134 [0,1,0,1,0,0|2,0,0]=4 503 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C D30133 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [0,1,0,1,0,0|0,0,0]=2 505 B10R1.10 CCN[C@H]1CCCN(C)C1 E11173 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.10 CN1CCC[C@@H](CCN)C1 M15378 [0,1,0,1,0,0|2,0,0]=4 507 B10R1.10 CN1CCC[C@H](CCN)C1 M12449 [0,1,0,1,0,0|2,0,0]=4 508 B10R1.10 CN1CCC[C@H](CCN)C1 M15379 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.10 CN1CCC[C@H](CCO)C1 M12328 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.18 CC(=O)NC1CCNCC1 A43874 [0,1,0,1,0,0|1,0,0]=3 511 B10R1.18 CC(C)C[C@H]1CCCNC1 B69831 [0,1,0,1,0,0|1,0,1]=4 512 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [0,1,0,1,0,0|1,0,1]=4 513 B10R1.18 NC(=O)CC1CCNCC1 P13834 [0,1,0,1,0,0|1,0,0]=3 514 B10R1.18 O=C(O)CC1CCCCC1 C69214 [0,1,0,1,0,0|1,0,0]=3 515 B10R1.18 O=C(O)CC1CCNCC1 P7877 [0,1,0,1,0,0|1,0,0]=3 516 B10R1.18 O=C(O)CC1CCOCC1 T0118 [0,1,0,1,0,0|1,0,0]=3 517 B10R1.18 O=C(O)CN1CCOCC1 M41512 [0,1,0,1,0,0|2,0,0]=4 518 B10R1.18 O=C(O)CN1CCOCC1 M43451 [0,1,0,1,0,0|2,0,0]=4 519 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [0,1,0,1,0,0|1,0,0]=3 520 B10R1.18 O=C(O)C[C@H]1CCCNC1 P10342 [0,1,0,1,0,0|1,0,0]=3 521 B10R1.18 O=C(O)C[C@H]1CCCNC1 P46485 [0,1,0,1,0,0|1,0,0]=3 522 B10R1.18 O=C(O)C[C@H]1CNCCO1 M43454 [0,1,0,1,0,0|2,0,0]=4 523 B10R1.18 O=C(O)C[C@H]1COCCN1 M13099 [0,1,0,1,0,0|2,0,0]=4 524 B10R1.18 O=C(O)C[C@H]1COCCN1 M43452 [0,1,0,1,0,0|2,0,0]=4 525 B10R1.18 O=C(O)C[C@H]1COCCO1 D11968 [0,1,0,1,0,0|2,0,0]=4 526 B10R1.61 CC(C)C1CCCCC1O P50579 [0,1,0,1,0,0|1,0,1]=4 527 B10R1.61 CC1NCCCC1C(=O)O M46488 [0,1,0,1,0,0|1,0,0]=3 528 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N D38732 [0,1,0,1,0,0|2,0,0]=4 529 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N D47195 [0,1,0,1,0,0|2,0,0]=4 530 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N D47196 [0,1,0,1,0,0|2,0,0]=4 531 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [0,1,0,1,0,0|1,0,0]=3 532 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [0,1,0,1,0,0|1,0,0]=3 533 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [0,1,0,1,0,0|1,0,0]=3 534 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O M43457 [0,1,0,1,0,0|2,0,0]=4 535 B10R1.66 O=C(O)CCC1CCCC1 C69098 [0,1,0,1,0,0|1,0,0]=3 536 B10R1.66 O=C(O)CCC1OCCO1 D36694 [0,1,0,1,0,0|2,0,0]=4 537 B10R1.66 O=C(O)CCN1CCCC1 P43845 [0,1,0,1,0,0|1,0,0]=3 538 B10R1.78 O=C1CCCCCCCN1 A62814 [0,1,0,1,0,0|0,0,0]=2 539 B10R1.86 CCCN1CC[C@H]1C(=O)O P29785 [0,1,0,1,0,0|1,0,0]=3 540 B10R1.86 O=C(O)[C@@H]1CCN1CCF A30114 [0,1,0,1,0,0|2,0,0]=4 541 B10R1.348 CC(=O)N1CCCNCC1 D43875 [0,1,0,1,0,0|1,0,0]=3 542 B10R1.348 NC(=O)C1CCCCCC1 C47114 [0,1,0,1,0,0|1,0,0]=3 543 B10R1.348 O=C(O)C1CCC=CCC1 C47016 [0,1,0,1,0,0|1,0,1]=4 544 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [0,1,0,1,0,0|1,0,0]=3 545 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O A30112 [0,1,0,1,0,0|2,0,0]=4 546 B10R1.266 CC(=O)CC(=O)C1CCC1 C6255 [0,1,0,1,0,0|0,0,1]=3 547 B10R1.28 CC(C)(O)C1CCCCC1 C29711 [0,1,0,1,0,0|0,0,2]=4 548 B10R1.28 CS(=O)(=O)C1CCNCC1 M0129 [0,1,0,1,0,0|2,0,0]=4 549 B10R1.28 CS(=O)(=O)[C@@H]1CCCNC1 M31004 [0,1,0,1,0,0|2,0,0]=4 550 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 M1655 [0,1,0,1,0,0|2,0,0]=4 551 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 M31005 [0,1,0,1,0,0|2,0,0]=4 552 B10R1.28 NS(=O)(=O)C1CCCCC1 C41590 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.1 CCCC1CCC(=O)CC1 P50500 [0,1,0,1,0,0|0,0,0]=2 554 B10R1.2 CN1C(=O)CCC[C@@H]1CN A27162 [0,1,0,1,0,0|1,0,0]=3 555 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,1,0,1,0,0|1,0,1]=4 556 B10R1.15 CNC(=O)[C@@H]1CCCNC1 N16649 [0,1,0,1,0,0|1,0,0]=3 557 B10R1.15 CNC(=O)[C@H]1CCCNC1 M16650 [0,1,0,1,0,0|1,0,0]=3 558 B10R1.15 CNC(=O)[C@H]1CCCNC1 M63083 [0,1,0,1,0,0|1,0,0]=3 559 B10R1.15 COC(=O)C1=CCCCC1 M47018 [0,1,0,1,0,0|0,0,2]=4 560 B10R1.15 COC(=O)C1CCNCC1 M25177 [0,1,0,1,0,0|1,0,0]=3 561 B10R1.15 COC(=O)C1CCNCC1 M39294 [0,1,0,1,0,0|1,0,0]=3 562 B10R1.15 COC(=O)C1CCOCC1 M10320 [0,1,0,1,0,0|1,0,0]=3 563 B10R1.15 COC(=O)C1CCSCC1 M13092 [0,1,0,1,0,0|1,0,0]=3 564 B10R1.15 COC(=O)N1CCNCC1 M62366 [0,1,0,1,0,0|2,0,0]=4 565 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,1,0,1,0,0|1,0,0]=3 566 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,1,0,1,0,0|1,0,0]=3 567 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,1,0,1,0,0|1,0,0]=3 568 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,1,0,1,0,0|1,0,0]=3 569 B10R1.15 COC(=O)[C@@H]1CCCNC1 M18060 [0,1,0,1,0,0|1,0,0]=3 570 B10R1.15 COC(=O)[C@@H]1CCCNC1 M21650 [0,1,0,1,0,0|1,0,0]=3 571 B10R1.15 COC(=O)[C@@H]1CNCCN1 M43559 [0,1,0,1,0,0|2,0,0]=4 572 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43453 [0,1,0,1,0,0|2,0,0]=4 573 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43456 [0,1,0,1,0,0|2,0,0]=4 574 B10R1.15 COC(=O)[C@@H]1COCCN1 M13411 [0,1,0,1,0,0|2,0,0]=4 575 B10R1.15 COC(=O)[C@@H]1COCCN1 M18297 [0,1,0,1,0,0|2,0,0]=4 576 B10R1.15 COC(=O)[C@@H]1COCCN1 M19898 [0,1,0,1,0,0|2,0,0]=4 577 B10R1.15 COC(=O)[C@@H]1COCCN1 M41516 [0,1,0,1,0,0|2,0,0]=4 578 B10R1.15 COC(=O)[C@H]1CCCNC1 M21649 [0,1,0,1,0,0|1,0,0]=3 579 B10R1.15 COC(=O)[C@H]1CCCNC1 M26313 [0,1,0,1,0,0|1,0,0]=3 580 B10R1.15 COC(=O)[C@H]1CCCOC1 M5495 [0,1,0,1,0,0|1,0,0]=3 581 B10R1.15 COC(=O)[C@H]1CNCCN1 P15343 [0,1,0,1,0,0|2,0,0]=4 582 B10R1.15 COC(=O)[C@H]1CNCCO1 M37050 [0,1,0,1,0,0|2,0,0]=4 583 B10R1.15 COC(=O)[C@H]1CNCCO1 M43455 [0,1,0,1,0,0|2,0,0]=4 584 B10R1.15 COC(=O)[C@H]1COCCN1 M13412 [0,1,0,1,0,0|2,0,0]=4 585 B10R1.15 CSC(=S)N1CCCCC1 M43860 [0,1,0,1,0,0|1,1,0]=4 586 B10R1.15 NCC(=O)C1CCCCC1 A11156 [0,1,0,1,0,0|0,0,0]=2 587 B10R1.15 NCC(=O)N1CCCCC1 A46500 [0,1,0,1,0,0|1,0,0]=3 588 B10R1.15 NNC(=O)C1CCOCC1 T15051 [0,1,0,1,0,0|2,0,0]=4 589 B10R1.15 NNC(=O)[C@H]1CCCOC1 T15052 [0,1,0,1,0,0|2,0,0]=4 590 B10R1.15 N[C@H](CO)C1CCCCC1 A47172 [0,1,0,1,0,0|1,0,1]=4 591 B10R1.15 O=C(CBr)C1CCOCC1 B13722 [0,1,0,1,0,0|1,0,0]=3 592 B10R1.15 O=C(CBr)N1CCOCC1 B41454 [0,1,0,1,0,0|2,0,0]=4 593 B10R1.15 O=C(CCl)N1CCOCC1 C41455 [0,1,0,1,0,0|2,0,0]=4 594 B10R1.15 O=C(CO)N1CCOCC1 H41514 [0,1,0,1,0,0|2,0,0]=4 595 B10R1.27 COC(=O)C[C@@H]1CCCN1 M46490 [0,1,0,1,0,0|1,0,0]=3 596 B10R1.27 COC(=O)C[C@H]1CCCN1 M46489 [0,1,0,1,0,0|1,0,0]=3 597 B10R1.27 O=C(CCl)NC1CCCC1 C64668 [0,1,0,1,0,0|1,0,0]=3 598 B10R1.149 COC(=O)[C@@H]1CCCC1=O M11030 [0,1,0,1,0,0|1,0,1]=4 599 B10R1.149 COC(=O)[C@@H]1CCCN1C M43852 [0,1,0,1,0,0|1,0,0]=3 600 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O M27104 [0,1,0,1,0,0|2,0,0]=4 601 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O M30155 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M32340 [0,1,0,1,0,0|1,0,0]=3 603 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M37125 [0,1,0,1,0,0|1,0,0]=3 604 B10R1.149 COC(=O)[C@H]1COC[C@H]1N M19435 [0,1,0,1,0,0|2,0,0]=4 605 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O M15055 [0,1,0,1,0,0|2,0,0]=4 606 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M13329 [0,1,0,1,0,0|2,0,0]=4 607 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M15059 [0,1,0,1,0,0|2,0,0]=4 608 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 A13070 [0,1,0,1,0,0|2,0,0]=4 609 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 M27099 [0,1,0,1,0,0|2,0,0]=4 610 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 A13071 [0,1,0,1,0,0|2,0,0]=4 611 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 M31027 [0,1,0,1,0,0|2,0,0]=4 612 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 N13069 [0,1,0,1,0,0|2,0,0]=4 613 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 A43846 [0,1,0,1,0,0|1,0,0]=3 614 B10R1.23 N[C@H](C(=O)O)C1CCCC1 A43844 [0,1,0,1,0,0|1,0,0]=3 615 B10R1.23 N[C@H](C(=O)O)C1CCCC1 A68051 [0,1,0,1,0,0|1,0,0]=3 616 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 B24122 [0,1,0,1,0,0|1,0,0]=3 617 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 M46501 [0,1,0,1,0,0|2,0,0]=4 618 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,1,0,1,0,0|1,0,0]=3 619 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [0,1,0,1,0,0|2,0,0]=4 620 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,1,0,1,0,0|2,0,0]=4 621 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,1,0,1,0,0|2,0,0]=4 622 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,1,0,1,0,0|2,0,0]=4 623 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,1,0,1,0,0|2,0,0]=4 624 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,1,0,1,0,0|1,0,0]=3 625 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,1,0,1,0,0|1,0,0]=3 626 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,1,0,1,0,0|1,0,0]=3 627 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,1,0,1,0,0|1,0,0]=3 628 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,1,0,1,0,0|1,0,0]=3 629 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,1,0,1,0,0|1,0,0]=3 630 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,1,0,1,0,0|1,0,0]=3 631 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,1,0,1,0,0|1,0,0]=3 632 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,1,0,1,0,0|2,0,0]=4 633 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,1,0,1,0,0|1,0,0]=3 634 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,1,0,1,0,0|2,0,0]=4 635 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [0,1,0,1,0,0|1,0,1]=4 636 B10R1.176 CN1CC[C@H](CN)CC1=O A0719 [0,1,0,1,0,0|2,0,0]=4 637 B10R1.176 CN1CC[C@H](CN)CC1=O A20770 [0,1,0,1,0,0|2,0,0]=4 638 B10R1.176 CN1CC[C@H](CO)CC1=O H0356 [0,1,0,1,0,0|2,0,0]=4 639 B10R1.204 N[C@@H](CC1CCC1)C(=O)O A64838 [0,1,0,1,0,0|1,0,0]=3 640 B10R1.363 CC(=O)C1(C)CCOCC1 M26198 [0,1,0,1,0,0|1,0,0]=3 641 B10R1.363 CC1(C(=O)O)CCNCC1 M26508 [0,1,0,1,0,0|2,0,0]=4 642 B10R1.363 CC1(C(=O)O)CCOCC1 M0516 [0,1,0,1,0,0|2,0,0]=4 643 B10R1.363 CC1(C(=O)O)CCSCC1 M13095 [0,1,0,1,0,0|2,0,0]=4 644 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 M61881 [0,1,0,1,0,0|2,0,0]=4 645 B10R1.363 C[C@]1(C(=O)O)CCCCN1 M16273 [0,1,0,1,0,0|2,0,0]=4 646 B10R1.363 C[C@]1(C(=O)O)CCCNC1 M11314 [0,1,0,1,0,0|2,0,0]=4 647 B10R1.363 C[C@]1(C(=O)O)CCCNC1 M11315 [0,1,0,1,0,0|2,0,0]=4 648 B10R1.363 NC1(C(=O)O)CCCCC1 A68884 [0,1,0,1,0,0|1,0,0]=3 649 B10R1.363 NC1(C(=O)O)CCNCC1 A15544 [0,1,0,1,0,0|2,0,0]=4 650 B10R1.363 NC1(C(=O)O)CCOCC1 A12039 [0,1,0,1,0,0|2,0,0]=4 651 B10R1.363 NC1(C(=O)O)CCOCC1 A43458 [0,1,0,1,0,0|2,0,0]=4 652 B10R1.363 O=C(O)C1(F)CCOCC1 F11519 [0,1,0,1,0,0|2,0,0]=4 653 B10R1.363 O=C(O)C1(O)CCCCC1 H43816 [0,1,0,1,0,0|1,0,0]=3 654 B10R1.363 O=C(O)C1(O)CCOCC1 H23960 [0,1,0,1,0,0|2,0,0]=4 655 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 D30131 [0,1,0,1,0,0|2,0,0]=4 656 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 D29906 [0,1,0,1,0,0|2,0,0]=4 657 B10R1.140 CCOC(=O)C1CC(=O)C1 E1322 [0,1,0,1,0,0|1,0,1]=4 658 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O D46493 [0,1,0,1,0,0|2,0,0]=4 659 B10R1.361 CC(C)N1CC[C@H]1C(=O)O I29786 [0,1,0,1,0,0|2,0,0]=4 660 B10R2.62 O=C1CN2CCC1CC2 A17311 [0,0,0,2,0,0|1,0,0]=3 661 B10R2.62 O=C1NC2CCC1CC2 A11449 [0,0,0,2,0,0|1,0,0]=3 662 B10R2.62 O[C@H]1CC2CCC1CC2 B47081 [0,0,0,2,0,0|0,0,2]=4 663 B10R2.71 NC1CC2CCC(C1)C2 B10764 [0,0,0,2,0,0|1,0,1]=4 664 B10R2.71 O=C1CC2CCC(C1)C2 B10791 [0,0,0,2,0,0|0,0,0]=2 665 B10R2.71 O=C1CC2CCC(C1)O2 X10656 [0,0,0,2,0,0|1,0,0]=3 666 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 A0702 [0,0,0,2,0,0|1,0,0]=3 667 B10R2.408 C1CC2CCCC(C1)N2 A8032 [0,0,0,2,0,0|1,0,1]=4 668 B10R2.534 N[C@H]1CCCC2(CC2)C1 S13663 [0,0,0,2,0,0|1,0,1]=4 669 B10R2.534 O=C1CCCC2(CC2)C1 S60470 [0,0,0,2,0,0|0,0,0]=2 670 B10R2.534 O=C1CCCC2(CC2)N1 A43767 [0,0,0,2,0,0|1,0,0]=3 671 B10R2.534 O=C1CNCC2(CC2)N1 D13165 [0,0,0,2,0,0|2,0,0]=4 672 B10R2.534 O=C1CNCC2(CC2)N1 D17380 [0,0,0,2,0,0|2,0,0]=4 673 B10R2.344 O=C(O)C12CNCC1C2 A11245 [0,0,0,2,0,0|2,0,0]=4 674 B10R2.344 O=C(O)[C@@]12CC1CCN2 A59678 [0,0,0,2,0,0|2,0,0]=4 675 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 A11243 [0,0,0,2,0,0|2,0,0]=4 676 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 A31829 [0,0,0,2,0,0|2,0,0]=4 677 B10R2.351 O=C(O)C1C2COCC21 X43312 [0,0,0,2,0,0|2,0,0]=4 678 B10R2.351 O=C(O)[C@@H]1[C@H]2COC[C@H]21 X13542 [0,0,0,2,0,0|2,0,0]=4 679 B10R2.351 O=C(O)[C@H]1[C@H]2COC[C@H]21 X24260 [0,0,0,2,0,0|2,0,0]=4 680 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [0,0,0,2,0,0|2,0,0]=4 681 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [0,0,0,2,0,0|2,0,0]=4 682 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [0,0,0,2,0,0|2,0,0]=4 683 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,0,0,2,0,0|1,0,0]=3 684 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [0,0,0,2,0,0|2,0,0]=4 685 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [0,0,0,2,0,0|2,0,0]=4 686 B10R2.2 NN1CC2CCCC2C1 H46497 [0,0,0,2,0,0|2,0,0]=4 687 B10R2.2 O=C1CC2CNCC2C1 O18313 [0,0,0,2,0,0|1,0,0]=3 688 B10R2.2 O=C1CC2CSCC2C1 H20144 [0,0,0,2,0,0|1,0,0]=3 689 B10R2.2 O=C1C[C@@H]2COC[C@@H]2C1 H59788 [0,0,0,2,0,0|1,0,0]=3 690 B10R2.2 O=C1C[C@H]2COC[C@@H]2C1 H59783 [0,0,0,2,0,0|1,0,0]=3 691 B10R2.14 O=C1C[C@H](C2CC2)CN1 C9768 [0,0,0,2,0,0|1,0,0]=3 692 B10R2.32 O=C1CCC2CNCC12 H15275 [0,0,0,2,0,0|1,0,0]=3 693 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 H11258 [0,0,0,2,0,0|2,0,0]=4 694 B10R2.32 O=C1NC[C@H]2CNC[C@@H]12 X59902 [0,0,0,2,0,0|2,0,0]=4 695 B10R2.332 O=C1CC2(CN1)COC2 X6695 [0,0,0,2,0,0|2,0,0]=4 696 B10R2.332 O=C1CC2(CNC2)CN1 D46636 [0,0,0,2,0,0|2,0,0]=4 697 B10R2.332 O=C1CCC2(CNC2)N1 D27135 [0,0,0,2,0,0|2,0,0]=4 698 B10R2.332 O=C1NCC2(CCC2)O1 X10720 [0,0,0,2,0,0|2,0,0]=4 699 B10R2.316 O=C1CC2(CCCC2)N1 X14688 [0,0,0,2,0,0|1,0,0]=3 700 B10R2.633 O=C(O)C1CC1C2CC2 C26303 [0,0,0,2,0,0|1,0,0]=3 701 B10R2.638 O=C(O)[C@H]1CC12CCC2 S21784 [0,0,0,2,0,0|1,0,0]=3 702 B10R2.358 O=C(O)[C@H]1CCC12CC2 S59639 [0,0,0,2,0,0|1,0,0]=3