0 B10R0.78 CCCCC(=O)NCC(=O)O 81427 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.78 CCCNC(=O)CCC(=O)O W18569 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 C#CCCCCCC(=O)O AT11953 [1,0,0,0,0,0|0,0,2]=3 3 B9R0.2 C=CCCCCCC(=O)O I11997 [1,0,0,0,0,0|0,0,2]=3 4 B9R0.2 C=CCOCCCC(=O)O W18610 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 CCCCCCCC(=O)[O-] F12023 [1,0,0,0,0,0|0,0,1]=2 6 B9R0.2 CCC\C=C/CCC(=O)O E70288 [1,0,0,0,0,0|0,0,2]=3 7 B9R0.2 COCCOCCC(=O)O C70448 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.2 O=C(O)CNCCCCO 72467 [1,0,0,0,0,0|2,0,0]=3 9 B11R0.46 CCCCOC(=O)CCC(=O)O S10462 [0,1,0,0,0,0|1,0,1]=3 10 B11R0.46 COCCOC(=O)CCC(=O)O D93560 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 CCCOC1CCC(=O)CC1 O11282 [0,0,0,1,0,0|2,0,0]=3 12 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [0,0,0,1,0,0|1,0,0]=2 13 B11R1.211 O=C(O)C1CC(OCCF)C1 D79231 [0,0,0,1,0,0|2,0,0]=3 14 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [0,0,0,0,1,0|2,0,0]=3 15 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,0,0,0,1,0|2,0,0]=3 16 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,0,0,0,1,0|2,0,0]=3 17 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,0,0,0,1,0|2,0,0]=3 18 B8R0.4 C=CCCCCCC=O N11873 [2,0,0,0,0,0|0,0,2]=4 19 B8R0.4 C=CCCCCCCI W11175 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.7 COCCNCC(=O)O W16095 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.7 NCCCCCC(=O)O P19609 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.7 NCCCCCC(N)=O AC6029 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.7 O=C([O-])CCCCCO Y14708 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.1 CCCC[C@H](C)CCO D93301 [2,0,0,0,0,0|0,0,0]=2 25 B8R0.1 CCC[C@H](C)CCCO A12859 [2,0,0,0,0,0|0,0,1]=3 26 B8R0.1 COCCN(C)CCO F18234 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.9 CCC(C)=CCC(=O)O C75612 [2,0,0,0,0,0|0,0,2]=4 28 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [2,0,0,0,0,0|2,0,0]=4 31 B10R0.4 CC(=O)NCCCCCCN D93510 [1,1,0,0,0,0|2,0,0]=4 32 B10R0.4 O=C(O)CCCCCCCO S10749 [1,1,0,0,0,0|0,0,0]=2 33 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [1,1,0,0,0,0|1,0,0]=3 34 B10R0.22 NCCCCCCS(=O)(=O)O S11941 [1,1,0,0,0,0|2,0,0]=4 35 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [1,1,0,0,0,0|1,0,0]=3 36 B10R0.87 CCCC[C@H](CC)CC(=O)O A10554 [0,1,0,0,1,0|0,0,0]=2 37 B10R0.87 CCCC[C@H](CC)OC(C)=O 73884 [0,1,0,0,1,0|2,0,0]=4 38 B12R0.233 CCCCCC(=O)CCCC(=O)O Y13481 [0,1,0,0,0,1|1,0,1]=4 39 B12R0.101 CCCC[C@H](C)CCC(=O)OCC A11793 [0,2,0,0,0,0|0,0,0]=2 40 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [1,0,0,1,0,0|0,0,0]=2 41 B10R1.18 CC(=O)CC1CCCCC1 D84585 [1,0,0,1,0,0|1,0,0]=3 42 B10R1.18 CC(=O)NC1CCCCC1 A11899 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.18 O=C(O)CC1CCNCC1 20237 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [1,0,0,1,0,0|1,0,0]=3 48 B10R1.18 O=C(O)C[C@H]1CNCCO1 77652 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.18 O=C(O)C[C@H]1CNCCO1 A50778 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.18 O=C(O)C[C@H]1COCCN1 26941 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.18 OB(O)CC1CCCCC1 W17229 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.61 CC1CCNCC1C(=O)O 85195 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.61 CC1CNCCC1C(=O)O P12933 [1,0,0,1,0,0|1,0,0]=3 54 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [1,0,0,1,0,0|1,0,0]=3 56 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [1,0,0,1,0,0|1,0,0]=3 57 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [1,0,0,1,0,0|1,0,0]=3 58 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [1,0,0,1,0,0|1,0,0]=3 61 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [1,0,0,1,0,0|1,0,0]=3 62 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [1,0,0,1,0,0|1,0,0]=3 65 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [1,0,0,1,0,0|1,0,0]=3 66 B10R1.66 O=C(O)CNC1CCCC1 W15241 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.78 O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|1,0,0]=3 68 B10R1.78 O=C1CCCCCCCN1 D74918 [1,0,0,1,0,0|1,0,0]=3 69 B10R1.86 O=C(O)[C@@H]1CCN1CCF P18441 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.348 N=C(N)C1CCCCCC1 A11705 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.348 NC(=O)C1CCCCCC1 C72770 [1,0,0,1,0,0|1,0,0]=3 72 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [1,0,0,1,0,0|1,0,0]=3 73 B10R1.348 O=C(O)C1CCC=CCC1 C73071 [1,0,0,1,0,0|0,0,2]=4 74 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [1,0,0,1,0,0|1,0,0]=3 75 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.17 CCCCC1CCNCC1 25962 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.17 OCCC[C@H]1CCCCN1 59724 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.30 CCN1C[C@H](C)NCC1=O W17551 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.30 CCN1C[C@H](C)NCC1=O W17552 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O D96820 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.82 O=C(O)CCC1CC(=O)C1 P16547 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [1,0,0,1,0,0|1,0,0]=3 85 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [1,0,0,1,0,0|1,0,0]=3 97 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [1,0,0,1,0,0|1,0,0]=3 98 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [1,0,0,1,0,0|1,0,0]=3 100 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [1,0,0,1,0,0|1,0,0]=3 101 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [1,0,0,1,0,0|1,0,0]=3 103 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [1,0,0,1,0,0|1,0,1]=4 104 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [1,0,0,1,0,0|1,0,1]=4 105 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [1,0,0,1,0,0|1,0,1]=4 106 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,0,0,1,1,0|1,0,1]=4 107 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10090 [0,0,0,1,1,0|2,0,0]=4 108 B10R1.370 CC1(CC(=O)O)OCCO1 W17982 [0,0,0,1,1,0|2,0,0]=4 109 B12R1.252 O=C(O)CCO[C@@H]1CCCCO1 AC3248 [0,0,0,1,0,1|1,0,0]=3 110 B12R1.252 O=C(O)\C=C\CN1CCCCC1 D83613 [0,0,0,1,0,1|1,0,1]=4 111 B12R1.1 COCCCN1CCC(=O)CC1 12003 [0,1,0,1,0,0|2,0,0]=4 112 B12R1.54 O=C(O)CCC(=O)N1CCCC1 F20023 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.1009 CC1CCCC(C)N1CC(=O)O AC8743 [0,1,0,1,0,0|1,0,0]=3 114 B12R1.1343 O=C(O)CCN1CCCCCC1 D82188 [0,1,0,1,0,0|1,0,0]=3 115 B12R1.1416 COCCOC1CC(C(=O)O)C1 D84854 [0,1,0,1,0,0|1,0,0]=3 116 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 N12945 [0,1,0,1,0,0|0,0,0]=2 117 B12R1.27 COC(=O)CCC1CCNCC1 AT13298 [0,1,0,1,0,0|1,0,0]=3 118 B12R1.27 COC(=O)CCC1CCNCC1 P20545 [0,1,0,1,0,0|1,0,0]=3 119 B12R1.27 COC(=O)CCN1CCNCC1 AT22940 [0,1,0,1,0,0|2,0,0]=4 120 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 C72430 [0,1,0,1,0,0|2,0,0]=4 121 B12R1.371 COC(=O)CC1CNCCC1C P16234 [0,1,0,1,0,0|1,0,0]=3 122 B12R1.21 O=C(O)CCC1CCC(=O)CC1 AC1679 [0,1,0,1,0,0|0,0,1]=3 123 B12R1.43 C=C(CN1CCCCC1)C(=O)O AB1575 [0,1,0,1,0,0|1,0,1]=4 124 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O C76628 [0,1,0,1,0,0|1,0,0]=3 125 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O F14543 [0,1,0,1,0,0|0,0,0]=2 126 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O 90702 [0,1,0,1,0,0|1,0,0]=3 127 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 D76701 [0,1,0,1,0,0|0,0,0]=2 128 B12R2.1175 O=C1CCC2(CCCO2)CC1 P10763 [0,0,0,2,0,0|2,0,0]=4 129 B12R2.253 CC(=O)C1CC2CCC(C2)C1 D79369 [0,0,0,2,0,0|1,0,0]=3 130 B12R2.253 O=C(O)C1CC2CCC(C1)N2 P19591 [0,0,0,2,0,0|1,0,0]=3 131 B12R2.253 O=C(O)C1CC2CCC(C1)O2 39144 [0,0,0,2,0,0|1,0,0]=3 132 B12R2.253 O=C(O)[C@H]1C[C@@H]2CC[C@H](C1)N2 P15494 [0,0,0,2,0,0|1,0,0]=3 133 B12R2.250 O=C(O)C1CC12CCCOC2 D83347 [0,0,0,2,0,0|1,0,0]=3 134 B12R2.250 O=C(O)[C@H]1CC12CCNCC2 D73388 [0,0,0,2,0,0|1,0,0]=3 135 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 38705 [0,0,0,2,0,0|1,0,0]=3 136 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 63463 [0,0,0,2,0,0|1,0,0]=3 137 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 AT20750 [0,0,0,2,0,0|0,0,0]=2 138 B12R2.2918 O=C1CCC2(CCCCC2)N1 91434 [0,0,0,2,0,0|1,0,0]=3 139 B12R2.2918 O=C1CCC2(CCNCC2)N1 P13123 [0,0,0,2,0,0|2,0,0]=4 140 B12R2.2918 O=C1CCC2(CCNCC2)O1 33494 [0,0,0,2,0,0|1,0,0]=3 141 B12R2.2918 O=C1NCC2(CCNCC2)O1 W17464 [0,0,0,2,0,0|2,0,0]=4 142 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,0,0,0,1,0|1,0,0]=3 143 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [1,0,0,0,1,0|1,0,0]=3 144 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [1,0,0,0,1,0|0,0,2]=4 145 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,0,0,0,2,0|2,0,0]=4 146 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,0,0,0,2,0|1,0,0]=3 147 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,0,0,0,2,0|2,0,0]=4