0 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 C#CCCCC(=O)O H43301 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.4 CC(=O)CCCCBr B41532 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CC(=O)OCCCBr B41266 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CC(=O)OCCCCl C39190 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 CC(C)CCCCBr B43898 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 CC(C)CCN=[N+]=[N-] A3458 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCCCB(O)O P38628 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.4 CCCCOC(N)=O B39165 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CCCOCC(=O)O P40387 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.4 CCOC=CC(=O)O E41226 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 CN(C)CCCCO D41621 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 CNCCCC(=O)O M63276 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.4 COCCCC(=O)O M67387 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.4 COCCNC(N)=O M36648 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 COC\C=C\C(=O)O M63576 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.4 C[C@H](O)CNCCO H40448 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 N#CCCCC(=O)O C41166 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.4 NC(=O)COCCCl C40247 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.4 O=C(O)CCCCBr B39187 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.4 O=C(O)CCCCCl C39191 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.4 O=C(O)CCCCO H37199 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.4 O=C(O)CNCCO H40270 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.4 O=C(O)COCCCl C40236 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.4 O=C([O-])CCCCO S41306 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,0,0,0,0|0,0,2]=3 33 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,0,0,0,0|1,0,1]=3 36 B9R0.1 COC(=O)\C=C\CN(C)C M43850 [0,1,0,0,0,0|1,0,2]=4 37 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,1,0,0,0,0|0,0,0]=1 39 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.7 C[C@H](Cl)C(=O)NCC(=O)O C41218 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G69583 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,1,0,0,0,0|0,0,0]=1 43 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,1,0,0,0,0|0,0,0]=1 44 B9R0.56 CC(=O)SCC[N+](C)(C)C A38049 [0,1,0,0,0,0|3,0,0]=4 45 B9R0.56 O=C(O)CCCC(F)(F)F T67007 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 P41522 [0,0,0,1,0,0|2,1,0]=4 51 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,0,0,1,0,0|1,0,0]=2 53 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,0,0,1,0,0|1,0,0]=2 54 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,0,0,1,0,0|1,0,0]=2 55 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,0,0,1,0,0|1,0,0]=2 57 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,1,0,0|1,0,0]=2 58 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 F5735 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,1,0,0|1,0,0]=2 61 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,1,0,0|1,0,0]=2 62 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,1,0,0|1,0,0]=2 65 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,1,0,0|1,0,0]=2 66 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,0,0,1,0,0|1,0,2]=4 69 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,1,0,0|1,0,0]=2 71 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,0,0,1,0,0|2,0,0]=3 82 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,0,0,1,0,0|2,0,0]=3 83 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,0,0,1,0,0|2,0,0]=3 90 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,1,0,0|1,0,1]=3 91 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,1,0,0|1,0,1]=3 95 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,1,0,0|1,0,1]=3 96 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.49 CN1CCC[C@H](O)CC1 H12303 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.53 CC(=O)NC1CC(N)C1 A30123 [0,0,0,1,0,0|3,0,0]=4 104 B9R1.53 CC(=O)NC1CC(N)C1 N14377 [0,0,0,1,0,0|3,0,0]=4 105 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,0,0,1,0,0|1,0,0]=2 106 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,0,0,1,0,0|1,0,0]=2 108 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,0,0,1,0,0|1,0,0]=2 109 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,0,0,1,0,0|2,0,0]=3 110 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,0,0,1,0,0|1,0,0]=2 112 B9R1.66 CC1(C)CCC[C@H](N)C1 D59653 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.66 CC1(C)C[C@@H](O)CCN1 D43908 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.66 CC1(C)C[C@@H](O)CCN1 D62322 [0,0,0,1,0,0|2,0,1]=4 115 B9R1.161 NC(=O)C1CC1C(=O)O C29921 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O C29917 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F D60171 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O C29916 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,0,0,1,0,0|1,0,0]=2 120 B9R1.166 O=C(O)[C@H]1CCC1(F)F D59690 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.170 O=C(O)C[C@H]1CC1(F)F D29570 [0,0,0,1,0,0|2,0,0]=3 122 B7R0.6 CC(=O)CCC(C)=O H64912 [0,0,0,0,1,0|2,0,1]=4 123 B7R0.6 CC(=O)NNC(C)C P40426 [0,0,0,0,1,0|3,0,0]=4 124 B7R0.6 CN(C)CCC(=O)O D41335 [0,0,0,0,1,0|1,0,0]=2 125 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,0,0,0,1,0|2,0,1]=4 126 B7R0.6 NC(=O)CCC(=O)O A63078 [0,0,0,0,1,0|2,0,1]=4 127 B7R0.6 O=C(O)CCC(F)F D59737 [0,0,0,0,1,0|2,0,0]=3 128 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,0,0,0,0,1|1,0,1]=3 129 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,0,0,0,0,1|2,0,1]=4 130 B6R0.4 C#CCCC(=O)O P68088 [2,0,0,0,0,0|0,0,2]=4 131 B6R0.4 C=CCCC(=O)O P37823 [2,0,0,0,0,0|0,0,2]=4 132 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.4 CC(C)CCCO M67872 [2,0,0,0,0,0|0,0,0]=2 134 B6R0.4 CC(C)NCCCl C40431 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.4 CC(C)OCCBr B69154 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|0,0,1]=3 138 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.4 CN(C)CCCBr B40430 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.4 CN(C)CCCCl C69241 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.4 N#CCCC(=O)O C69146 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|1,0,0]=3 146 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|1,0,0]=3 147 B6R0.6 C=CCCCCBr B9212 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.6 C=CCCCCO H41549 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.6 C=CCCCC[Mg+] H5025 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.6 CCCCCC[Mg+] H31703 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.6 CNCCCCO M38840 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.6 O=CCCCCCl C41277 [2,0,0,0,0,0|1,0,0]=3 154 B6R0.6 O=CCCCCO H32202 [2,0,0,0,0,0|1,0,0]=3 155 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [1,1,0,0,0,0|0,0,2]=4 156 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [1,1,0,0,0,0|0,0,0]=2 157 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [1,1,0,0,0,0|0,0,2]=4 158 B8R0.6 CCCC=CC(=O)OC M43802 [1,1,0,0,0,0|0,0,2]=4 159 B8R0.6 CCCCCC(=O)CBr B43868 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.6 CCCCC[C@@H](O)CC X47206 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.6 CCCCNC(=O)CCl B41547 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.6 CNCCCC(=O)OC M43486 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.6 COC(=O)CCCCBr M41523 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.6 COC(=O)CCCCCl M63406 [1,1,0,0,0,0|1,0,0]=3 165 B8R0.6 COC(=O)CCCCN M43490 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.6 COC(=O)COCCCl M41275 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.6 COCCCC(=O)OC M68350 [1,1,0,0,0,0|1,0,0]=3 168 B8R0.7 C#CCCCCC(=O)O H43713 [1,1,0,0,0,0|0,0,1]=3 169 B8R0.7 C#CCOCCC(=O)O P43310 [1,1,0,0,0,0|0,0,2]=4 170 B8R0.7 C=CCCCCC(=O)O H63383 [1,1,0,0,0,0|0,0,1]=3 171 B8R0.7 CC(C)NCCCCO I38536 [1,1,0,0,0,0|0,0,1]=3 172 B8R0.7 CCCCCCB(O)O H41623 [1,1,0,0,0,0|1,0,1]=4 173 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,1,0,0,0,0|1,0,1]=4 174 B8R0.7 CN(C)CCOCCO D68347 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.7 COCCOCC(=O)O M37948 [1,1,0,0,0,0|1,0,0]=3 176 B8R0.7 NCCNCCC(=O)[O-] S41302 [1,1,0,0,0,0|1,0,1]=4 177 B8R0.7 NCCOCCC(=O)O A40415 [1,1,0,0,0,0|1,0,0]=3 178 B8R0.7 O=C(O)CCCCCBr B67880 [1,1,0,0,0,0|0,0,0]=2 179 B8R0.7 O=C(O)CCCCCCl C41527 [1,1,0,0,0,0|0,0,0]=2 180 B8R0.7 O=C(O)CCOCCBr B41274 [1,1,0,0,0,0|1,0,0]=3 181 B8R0.7 O=C([O-])CCCCCO P41406 [1,1,0,0,0,0|0,0,1]=3 182 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [1,1,0,0,0,0|0,0,2]=4 184 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [1,1,0,0,0,0|0,0,2]=4 185 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [1,1,0,0,0,0|0,0,0]=2 186 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [1,1,0,0,0,0|1,0,1]=4 187 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [1,1,0,0,0,0|1,0,0]=3 188 B8R0.9 COC(=O)CCC(=O)O M37827 [1,1,0,0,0,0|1,0,1]=4 189 B8R0.21 CC(C)(S)CCOC=O M41553 [1,1,0,0,0,0|1,0,0]=3 190 B8R0.21 CCCCCS(=O)(=O)[O-] S40421 [1,1,0,0,0,0|1,0,1]=4 191 B8R0.21 CCCCCS(N)(=O)=O P29872 [1,1,0,0,0,0|1,0,1]=4 192 B8R0.21 NCCCCP(=O)(O)O A69195 [1,1,0,0,0,0|2,0,0]=4 193 B8R0.21 O=S(=O)(O)CCCCO H39961 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,1,0,0,1,0|1,0,1]=4 195 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,1,0,0,1,0|0,0,0]=2 196 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,1,0,0,1,0|0,0,0]=2 197 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,1,0,0,1,0|0,0,0]=2 198 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,1,0,0,1,0|0,0,0]=2 199 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,1,0,0,1,0|0,0,0]=2 200 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,1,0|0,0,0]=2 201 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,1,0|0,0,0]=2 202 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,1,0|0,0,0]=2 203 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,1,0|1,0,0]=3 204 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,1,0,0,1,0|1,0,0]=3 205 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,1,0,0,1,0|1,0,0]=3 206 B8R0.29 CS(=O)(=O)CCC(=O)O M40261 [0,1,0,0,1,0|2,0,0]=4 207 B8R0.29 O=C(O)CCC(F)(F)F T23562 [0,1,0,0,1,0|2,0,0]=4 208 B10R0.55 COC(=O)CCCCC(C)=O M47094 [0,1,0,0,0,1|1,0,1]=4 209 B10R0.3 C=C(C)CCCC(=O)OCC E50504 [0,2,0,0,0,0|0,0,2]=4 210 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [0,2,0,0,0,0|1,0,1]=4 211 B10R0.3 CCOC(=O)CCCC(C)=O E47092 [0,2,0,0,0,0|1,0,1]=4 212 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,2,0,0,0,0|0,0,1]=3 213 B10R0.57 COC(=O)[C@H](N)CCC(=O)O A43462 [0,2,0,0,0,0|1,0,1]=4 214 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O A69603 [0,2,0,0,0,0|1,0,1]=4 215 B10R0.82 COC(=O)CC[C@H](N)C(=O)O A68700 [0,2,0,0,0,0|1,0,1]=4 216 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O A61567 [0,2,0,0,0,0|1,0,0]=3 217 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O B68329 [0,2,0,0,0,0|1,0,0]=3 218 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O A46521 [0,2,0,0,0,0|1,0,0]=3 219 B10R0.31 CC(C)(C)OC(=O)CC(=O)O B39291 [0,2,0,0,0,0|1,0,1]=4 220 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] C39669 [0,2,0,0,0,0|1,0,1]=4 221 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [1,0,0,1,0,0|1,0,1]=4 222 B8R1.1 CN1CC[C@H](CO)C1 H7260 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.4 CC1CC(O)CCN1 M11589 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.4 CC1CC(O)CCO1 M14345 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.4 CN1CCCC(=O)C1 M13651 [1,0,0,1,0,0|1,0,0]=3 244 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.4 CN1CCC[C@H](O)C1 H0286 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.4 CN1CCC[C@H](O)C1 H1522 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.4 CN1CCNC(=O)C1 M6975 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.4 CN1CCOC(=O)C1 M41260 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [1,0,0,1,0,0|1,0,0]=3 250 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [1,0,0,1,0,0|1,0,0]=3 251 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [1,0,0,1,0,0|1,0,1]=4 254 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [1,0,0,1,0,0|1,0,0]=3 259 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [1,0,0,1,0,0|2,0,0]=4 262 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.4 NC1CCCC(O)C1 A24893 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.4 NC1CCCC(O)C1 A43477 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [1,0,0,1,0,0|1,0,1]=4 267 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [1,0,0,1,0,0|1,0,1]=4 268 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.4 O=C1CCCC(=O)C1 C38740 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.6 CN1CC(CCO)C1 M7516 [1,0,0,1,0,0|1,0,1]=4 276 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|1,0,0]=3 277 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [1,0,0,1,0,0|1,0,1]=4 279 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,1,0,0|0,0,2]=4 291 B8R1.7 O=C(O)C1CC=CC1 C11537 [1,0,0,1,0,0|0,0,2]=4 292 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|0,0,0]=2 293 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,1,0,0|1,0,0]=3 294 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,1,0,0|1,0,0]=3 295 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,1,0,0|1,0,0]=3 297 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,1,0,0|1,0,0]=3 298 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,1,0,0|1,0,0]=3 299 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,1,0,0|1,0,0]=3 300 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,1,0,0|1,0,0]=3 302 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,1,0,0|1,0,0]=3 303 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,1,0,0|1,0,0]=3 304 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,1,0,0|1,0,0]=3 305 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,1,0,0|1,0,0]=3 306 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,1,0,0|1,0,0]=3 307 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,1,0,0|1,0,0]=3 308 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.7 OB(O)C1CCCC1 C2400 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.19 CC1(C)CCNC1=O D13691 [1,0,0,1,0,0|1,0,0]=3 311 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.22 O=C1CCCNCC1 H12307 [1,0,0,1,0,0|2,0,0]=4 313 B8R1.22 O=C1CCOCCN1 X16165 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.22 O=C1CCSCCN1 T6235 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.22 O=C1CNCCCN1 D38834 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.31 CC1NCC1C(=O)O M27890 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [1,0,0,1,0,0|1,0,0]=3 318 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [1,0,0,1,0,0|1,0,0]=3 319 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [1,0,0,1,0,0|1,0,0]=3 322 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [1,0,0,1,0,0|1,0,0]=3 323 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.31 O=C(O)C1CCC1F F59749 [1,0,0,1,0,0|1,0,0]=3 325 B8R1.34 O=C(O)C=C1CCC1 C10691 [1,0,0,1,0,0|0,0,2]=4 326 B8R1.34 O=C(O)CC1CCC1 C24745 [1,0,0,1,0,0|0,0,0]=2 327 B8R1.34 O=C(O)CC1CNC1 A10213 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.34 O=C(O)CC1COC1 X6649 [1,0,0,1,0,0|1,0,0]=3 329 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [1,0,0,1,0,0|0,0,2]=4 330 B8R1.43 N#CC1CC1C(=O)O C24298 [1,0,0,1,0,0|1,0,1]=4 331 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [1,0,0,1,0,0|1,0,1]=4 332 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [1,0,0,1,0,0|1,0,1]=4 333 B8R1.72 CC1(C)CNCCO1 D11989 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.72 CC1(C)CNCCO1 D1343 [1,0,0,1,0,0|1,0,1]=4 335 B8R1.72 CC1(O)CCCCC1 M43886 [1,0,0,1,0,0|1,0,1]=4 336 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,1,0|1,0,0]=3 337 B8R1.3 CC1CCC(O)CC1 M61965 [0,0,0,1,1,0|1,0,1]=4 338 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,1,0|2,0,0]=4 339 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,1,1,0|2,0,0]=4 340 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,1,0|1,0,0]=3 341 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,1,1,0|2,0,0]=4 342 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,1,1,0|2,0,0]=4 343 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,1,1,0|2,0,0]=4 344 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,1,1,0|2,0,0]=4 345 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,1,1,0|2,0,0]=4 346 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,0,0,1,1,0|0,0,2]=4 347 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,0,0,1,1,0|2,0,0]=4 348 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,1,1,0|0,0,0]=2 349 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,1,1,0|1,0,0]=3 350 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,1,1,0|0,0,0]=2 351 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,1,1,0|0,0,0]=2 352 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,1,1,0|1,0,0]=3 353 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,1,1,0|1,0,0]=3 354 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,1,1,0|1,0,0]=3 355 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,1,1,0|1,0,0]=3 356 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,1,1,0|1,0,0]=3 357 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,1,1,0|1,0,0]=3 358 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,1,1,0|1,0,0]=3 359 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,1,1,0|1,0,0]=3 360 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,1,1,0|1,0,0]=3 361 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,1,1,0|1,0,0]=3 362 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,1,1,0|1,0,0]=3 363 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,1,1,0|1,0,0]=3 364 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,1,1,0|1,0,0]=3 365 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,0,0,1,1,0|1,0,1]=4 366 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,0,0,1,1,0|2,0,0]=4 367 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,1,0|1,0,0]=3 368 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,1,0|0,0,0]=2 369 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,1,0|2,0,0]=4 370 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,0,0,1,1,0|2,0,0]=4 371 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,0,0,1,1,0|0,0,0]=2 372 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,0,0,1,1,0|0,0,0]=2 373 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,0,0,1,1,0|1,0,0]=3 374 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,0,0,1,1,0|2,0,0]=4 375 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,0,0,1,1,0|2,0,0]=4 376 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 H69795 [0,0,0,1,0,1|1,0,0]=3 377 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 M46501 [0,0,0,1,0,1|2,0,0]=4 378 B10R1.113 CC(C)N1CCC[C@H](O)C1 P47169 [0,0,0,1,0,1|1,0,1]=4 379 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,0,0,1,0,1|1,0,0]=3 380 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [0,0,0,1,0,1|1,0,0]=3 381 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,0,0,1,0,1|0,0,0]=2 382 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,0,0,1,0,1|0,0,0]=2 383 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,0,0,1,0,1|0,0,0]=2 384 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,0,0,1,0,1|0,0,0]=2 385 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,0,0,1,0,1|1,0,0]=3 386 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,0,0,1,0,1|1,0,0]=3 387 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,0,0,1,0,1|1,0,0]=3 388 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,0,0,1,0,1|1,0,0]=3 389 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,0,0,1,0,1|1,0,0]=3 390 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,0,0,1,0,1|1,0,0]=3 391 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,0,0,1,0,1|1,0,0]=3 392 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,0,0,1,0,1|1,0,0]=3 393 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,0,0,1,0,1|1,0,0]=3 394 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,0,0,1,0,1|1,0,0]=3 395 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,0,0,1,0,1|1,0,0]=3 396 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [0,0,0,1,0,1|1,0,1]=4 397 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 X1724 [0,0,0,1,0,1|1,0,1]=4 398 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O D46493 [0,0,0,1,0,1|0,0,0]=2 399 B10R1.361 CC(C)N1CC[C@H]1C(=O)O I29786 [0,0,0,1,0,1|0,0,0]=2 400 B10R1.13 CC(=O)C1CCN(C)CC1 A61485 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.13 CC(C)C1CCC(=O)CC1 P50501 [0,1,0,1,0,0|1,0,0]=3 402 B10R1.13 CC(C)N1CCC(=O)CC1 P47115 [0,1,0,1,0,0|2,0,0]=4 403 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,1,0,1,0,0|0,0,0]=2 404 B10R1.13 CN(C)C1CCC(=O)CC1 D23555 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [0,1,0,1,0,0|1,0,0]=3 406 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.13 CN1CCC(C(N)=O)CC1 M3856 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,1,0,1,0,0|0,0,0]=2 409 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,1,0,1,0,0|1,0,0]=3 412 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [0,1,0,1,0,0|1,0,0]=3 416 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,1,0,1,0,0|1,0,0]=3 417 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [0,1,0,1,0,0|1,0,0]=3 418 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [0,1,0,1,0,0|1,0,0]=3 419 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,1,0,1,0,0|1,0,1]=4 421 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [0,1,0,1,0,0|1,0,1]=4 422 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 X1728 [0,1,0,1,0,0|1,0,1]=4 423 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,1,0,1,0,0|1,0,0]=3 424 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,1,0,1,0,0|1,0,0]=3 425 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,1,0,1,0,0|1,0,0]=3 427 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,1,0,1,0,0|1,0,0]=3 428 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,1,0,1,0,0|1,0,0]=3 429 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 M59855 [0,1,0,1,0,0|2,0,0]=4 431 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 M5733 [0,1,0,1,0,0|2,0,0]=4 432 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 M23511 [0,1,0,1,0,0|2,0,0]=4 433 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,1,0,1,0,0|1,0,1]=4 434 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,1,0,1,0,0|1,0,1]=4 435 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,1,0,1,0,0|1,0,0]=3 436 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,1,0,1,0,0|1,0,0]=3 437 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,1,0,1,0,0|1,0,0]=3 438 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 M19877 [0,1,0,1,0,0|2,0,0]=4 439 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 M10824 [0,1,0,1,0,0|2,0,0]=4 440 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 M43460 [0,1,0,1,0,0|2,0,0]=4 441 B10R1.150 COC(=O)CC1CC(=O)C1 M16790 [0,1,0,1,0,0|1,0,1]=4 442 B10R1.153 COC(=O)CCNC1CC1 M43848 [0,1,0,1,0,0|1,0,0]=3 443 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O M43389 [0,1,0,1,0,0|1,0,1]=4 444 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O M43390 [0,1,0,1,0,0|1,0,1]=4 445 B10R1.194 CN1CC[C@@H](C(=O)O)C1=O M22957 [0,1,0,1,0,0|1,0,1]=4 446 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C D30134 [0,1,0,1,0,0|0,0,0]=2 447 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C D30133 [0,1,0,1,0,0|0,0,0]=2 448 B10R1.408 COC(=O)C1CC1C(=O)O M29613 [0,1,0,1,0,0|1,0,1]=4 449 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O M29871 [0,1,0,1,0,0|1,0,1]=4 450 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O M60222 [0,1,0,1,0,0|1,0,1]=4 451 B10R1.83 CC1(C)C(=O)C[C@@H]1C(=O)O D11839 [0,1,0,1,0,0|0,0,1]=3 452 B10R1.83 CC1(C)C(N)CC1C(=O)O A15243 [0,1,0,1,0,0|0,0,0]=2 453 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N A60251 [0,1,0,1,0,0|0,0,0]=2 454 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O A15244 [0,1,0,1,0,0|0,0,0]=2 455 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O A6050 [0,1,0,1,0,0|0,0,0]=2 456 B10R1.349 CC(C)N1CC(C(=O)O)C1 P43849 [0,1,0,1,0,0|1,0,0]=3 457 B10R1.349 CN(C)C1CC(C(=O)O)C1 D20661 [0,1,0,1,0,0|1,0,0]=3 458 B10R1.359 CC1(C)OC[C@@H](C(=O)[O-])O1 P61519 [0,1,0,1,0,0|1,0,1]=4 459 B10R1.359 CC1(C)OC[C@H](C(=O)O)O1 D37192 [0,1,0,1,0,0|1,0,0]=3 460 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 D11524 [0,1,0,1,0,0|2,0,0]=4 461 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 D15109 [0,1,0,1,0,0|2,0,0]=4 462 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 D20507 [0,1,0,1,0,0|2,0,0]=4 463 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 D14943 [0,1,0,1,0,0|1,0,0]=3 464 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 D15117 [0,1,0,1,0,0|2,0,0]=4 465 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 D14944 [0,1,0,1,0,0|1,0,0]=3 466 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 D8067 [0,1,0,1,0,0|1,0,0]=3 467 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 D30131 [0,1,0,1,0,0|1,0,0]=3 468 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 D29906 [0,1,0,1,0,0|1,0,0]=3 469 B10R1.310 CN1CC(C)(C)[C@H]1C(=O)O A30113 [0,1,0,1,0,0|1,0,0]=3 470 B10R1.329 CC1(C)CC(=O)CC(=O)N1 D67601 [0,1,0,1,0,0|1,0,1]=4 471 B10R1.371 O=C(O)CC1CC(F)(F)C1 D10593 [0,1,0,1,0,0|1,0,0]=3 472 B10R1.347 O=C(O)C1CC1C(F)(F)F T29777 [0,1,0,1,0,0|2,0,0]=4 473 B10R1.347 O=C(O)[C@H]1C[C@@H]1C(F)(F)F T6450 [0,1,0,1,0,0|2,0,0]=4 474 B10R2.14 O=C1C[C@H](C2CC2)CN1 C9768 [0,0,0,2,0,0|2,0,0]=4 475 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,2,0,0|2,0,0]=4 476 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,2,0,0|2,0,0]=4 477 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,2,0,0|1,0,0]=3 478 B10R2.178 O=C1NCC2CCC1N2 D13376 [0,0,0,2,0,0|2,0,0]=4 479 B10R2.178 O=C1NCC2CCC1O2 X6210 [0,0,0,2,0,0|2,0,0]=4 480 B10R2.348 O=C(O)C12CC(CN1)C2 A15220 [0,0,0,2,0,0|1,0,0]=3 481 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [0,0,0,2,0,0|1,0,0]=3 482 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [0,0,0,2,0,0|1,0,0]=3 483 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [0,0,0,2,0,0|1,0,0]=3 484 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,0,0,2,0,0|0,0,0]=2 485 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [0,0,0,2,0,0|1,0,0]=3 486 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [0,0,0,2,0,0|1,0,0]=3 487 B10R2.365 O=C(O)CC12CC(C1)C2 B60087 [0,0,0,2,0,0|0,0,0]=2 488 B10R2.534 O=C1CCCC2(CC2)C1 S60470 [0,0,0,2,0,0|1,0,0]=3 489 B10R2.534 O=C1CCCC2(CC2)N1 A43767 [0,0,0,2,0,0|1,0,0]=3 490 B10R2.534 O=C1CNCC2(CC2)N1 D13165 [0,0,0,2,0,0|2,0,0]=4 491 B10R2.534 O=C1CNCC2(CC2)N1 D17380 [0,0,0,2,0,0|2,0,0]=4 492 B10R2.358 O=C(O)[C@H]1CCC12CC2 S59639 [0,0,0,2,0,0|0,0,0]=2 493 B10R2.633 O=C(O)C1CC1C2CC2 C26303 [0,0,0,2,0,0|0,0,0]=2 494 B6R0.2 CC(=O)NC(C)C P40402 [0,0,0,0,2,0|2,0,0]=4 495 B6R0.2 CC(C)CB(O)O M4460 [0,0,0,0,2,0|1,0,1]=4 496 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,0,0,2,0|2,0,0]=4 497 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,0,0,2,0|1,0,0]=3 498 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,0,0,2,0|1,0,0]=3 499 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,0,0,2,0|1,0,1]=4 500 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,0,0,2,0|1,0,0]=3 501 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,0,0,2,0|1,0,0]=3 502 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,0,0,2,0|1,0,1]=4