0 B10R0.4 CC(=O)NCCCCCCN D93510 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.4 O=C(O)CCCCCCCO S10749 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.2 C#CCCCCCC(=O)O AT11953 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.2 C=CCCCCCC(=O)O I11997 [1,0,0,0,0,0|1,0,2]=4 4 B9R0.2 CCCCCCCC(=O)[O-] F12023 [1,0,0,0,0,0|1,0,0]=2 5 B9R0.2 CCC\C=C/CCC(=O)O E70288 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.2 COCCOCCC(=O)O C70448 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.2 O=C(O)CNCCCCO 72467 [1,0,0,0,0,0|3,0,0]=4 8 B11R0.30 CC(=O)CCCCCCC(C)=O C73196 [0,1,0,0,0,0|1,0,1]=3 9 B11R0.40 COC(=O)CCCCCCC#N D93832 [0,1,0,0,0,0|2,0,1]=4 10 B11R0.40 COC(=O)CCCCCCC=O D94271 [0,1,0,0,0,0|2,0,1]=4 11 B11R0.40 COC(=O)CCCCCCCBr D94848 [0,1,0,0,0,0|2,0,0]=3 12 B11R0.42 CCCCCCC[C@H](N)C(=O)O W18676 [0,1,0,0,0,0|2,0,0]=3 13 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [0,1,0,0,0,0|2,0,1]=4 14 B11R0.148 CCCC\C=C/CCOC(C)=O D93562 [0,1,0,0,0,0|0,0,1]=2 15 B11R0.148 NCCCCCCCCC(=O)O D94864 [0,1,0,0,0,0|2,0,0]=3 16 B11R0.159 CCCCCCCOC(C)(C)C D93125 [0,1,0,0,0,0|1,0,1]=3 17 B11R0.159 COCCOCCOS(C)(=O)=O C70240 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.91 CC(=O)NC[C@H]1CNCCO1 56346 [0,0,0,1,0,0|3,0,0]=4 20 B8R0.4 C=CCCCCCC=O N11873 [2,0,0,0,0,0|0,0,2]=4 21 B8R0.4 C=CCCCCCCI W11175 [2,0,0,0,0,0|1,0,1]=4 22 B8R0.4 COCCCCCCBr S10679 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.4 COCCOCCOC D72523 [2,0,0,0,0,0|2,0,0]=4 24 B8R0.7 NCCCCCC(=O)O P19609 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.7 NCCCCCC(N)=O AC6029 [2,0,0,0,0,0|2,0,0]=4 26 B8R0.7 O=C([O-])CCCCCO Y14708 [2,0,0,0,0,0|2,0,0]=4 27 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [1,1,0,0,0,0|2,0,0]=4 28 B10R0.22 CCCCCCOC(C)(C)C D93010 [1,1,0,0,0,0|1,0,1]=4 29 B10R0.55 COC(=O)CCCCC(C)=O F16317 [1,1,0,0,0,0|1,0,1]=4 30 B10R0.74 NCC(=O)NCCCCCBr D84097 [1,1,0,0,0,0|2,0,0]=4 31 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [1,1,0,0,0,0|1,0,0]=3 32 B12R0.4 CCCCCCC[C@H](O)CC(=O)O A10886 [0,2,0,0,0,0|2,0,0]=4 33 B12R0.248 COC(=O)CCCCCCCC=O S10595 [0,2,0,0,0,0|1,0,1]=4 34 B12R0.251 CCCCCCCC[C@H](N)C(=O)O W18677 [0,2,0,0,0,0|2,0,0]=4 35 B12R0.277 CCOC(=O)CCCCCC(C)=O A11116 [0,2,0,0,0,0|1,0,1]=4 36 B12R0.233 CCCCCC(=O)CCCC(=O)O Y13481 [0,2,0,0,0,0|2,0,0]=4 37 B12R0.119 CCCCCCCCOP(=O)(O)O N11880 [0,2,0,0,0,0|2,0,0]=4 38 B12R0.234 C=CCCCCCCCCC(=O)[O-] C75615 [0,2,0,0,0,0|2,0,0]=4 39 B12R0.234 CC(=O)NCCCNCCCCN 28022 [0,2,0,0,0,0|1,0,0]=3 40 B12R0.234 CCCCCCCCCCC(N)=O Y14687 [0,2,0,0,0,0|2,0,0]=4 41 B12R0.268 CC(C)CCCCCCCC(=O)O A11263 [0,2,0,0,0,0|2,0,0]=4 42 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [1,0,0,1,0,0|1,0,0]=3 43 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [1,0,0,1,0,0|0,0,2]=4 44 B10R1.18 CC(=O)CC1CCCCC1 D84585 [1,0,0,1,0,0|0,0,0]=2 45 B10R1.18 CC(=O)NC1CCCCC1 A11899 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.18 CN(C)CC1CCCCC1 78298 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.18 O=C(O)CC1CCNCC1 20237 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.61 CC1CCNCC1C(=O)O 85195 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.61 CC1CNCCC1C(=O)O P12933 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [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|2,0,0]=4 65 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.66 O=C(O)CNC1CCCC1 W15241 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.78 O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|0,0,0]=2 68 B10R1.78 O=C1CCCCCCCN1 D74918 [1,0,0,1,0,0|1,0,0]=3 69 B10R1.348 CC(=O)N1CCCNCC1 W19159 [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)[C@@H]1CCCCCN1 I10217 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.17 CCCCC1CCNCC1 25962 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.161 O=CC1CCCCCCC1 59424 [1,0,0,1,0,0|1,0,0]=3 77 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 N12945 [0,1,0,1,0,0|2,0,0]=4 78 B12R1.141 O=C1CCCCCCCC(=O)O1 F16497 [0,1,0,1,0,0|0,0,1]=3 79 B12R1.27 COC(=O)CCC1CCNCC1 AT13298 [0,1,0,1,0,0|2,0,0]=4 80 B12R1.27 COC(=O)CCC1CCNCC1 P20545 [0,1,0,1,0,0|2,0,0]=4 81 B12R1.371 COC(=O)CC1CNCCC1C P16234 [0,1,0,1,0,0|2,0,0]=4 82 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O F14543 [0,1,0,1,0,0|2,0,0]=4 83 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 D76701 [0,1,0,1,0,0|2,0,0]=4 84 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 P15805 [0,1,0,1,0,0|2,0,0]=4 85 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 P17603 [0,1,0,1,0,0|2,0,0]=4 86 B12R1.1343 O=C(O)CCN1CCCCCC1 D82188 [0,1,0,1,0,0|2,0,0]=4 87 B12R1.1007 O=C1CCCCC(=O)OCCO1 S11858 [0,1,0,1,0,0|1,0,1]=4 88 B12R1.1560 CCOC(=O)C1CC1OC(C)=O C76301 [0,1,0,1,0,0|1,0,1]=4 89 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 68528 [0,0,0,2,0,0|2,0,0]=4 90 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 87615 [0,0,0,2,0,0|2,0,0]=4 91 B12R2.5121 O=C1CCOC2(CCCC2)C1 87243 [0,0,0,2,0,0|2,0,0]=4 92 B12R2.2918 O=C1CC2(CCNCC2)CN1 26301 [0,0,0,2,0,0|2,0,0]=4 93 B12R2.2918 O=C1CC2(CCNCC2)CN1 79608 [0,0,0,2,0,0|2,0,0]=4 94 B12R2.2918 O=C1CCC2(CCCCC2)N1 91434 [0,0,0,2,0,0|2,0,0]=4 95 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 P11463 [0,0,0,2,0,0|2,0,0]=4 96 B12R2.2918 O=C1NC2(CCNCC2)CO1 27960 [0,0,0,2,0,0|2,0,0]=4 97 B12R2.2918 O=C1NC2(CCNCC2)CO1 C90103 [0,0,0,2,0,0|2,0,0]=4 98 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 AT20750 [0,0,0,2,0,0|2,0,0]=4