0 B21R3.11589171 C#CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0338 [0,0,0,0,0,0|0,0,2]=2 1 B21R3.11589171 C#CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0338 [0,0,0,0,0,0|0,0,2]=2 2 B21R3.11589171 CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0064 [0,0,0,0,0,0|0,0,0]=0 3 B21R3.11589171 CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0064 [0,0,0,0,0,0|0,0,0]=0 4 B21R3.11589171 O=C(CO)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB2706 [0,0,0,0,0,0|1,0,0]=1 5 B21R3.11589171 O=C(CO)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB2706 [0,0,0,0,0,0|1,0,0]=1 6 B20R3.21853260 CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0150 [1,0,0,0,0,0|0,0,0]=1 7 B20R3.21853260 CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0150 [1,0,0,0,0,0|0,0,0]=1 8 B22R3.68419034 CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0028 [0,1,0,0,0,0|1,0,0]=2 9 B22R3.68419034 CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0028 [0,1,0,0,0,0|1,0,0]=2 10 B22R3.87769445 C#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB3070 [0,1,0,0,0,0|0,0,1]=2 11 B22R3.87769445 C#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB3070 [0,1,0,0,0,0|0,0,1]=2 12 B22R3.87769445 C/C=C/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0340 [0,1,0,0,0,0|0,0,1]=2 13 B22R3.87769445 C/C=C/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0340 [0,1,0,0,0,0|0,0,1]=2 14 B22R3.87769445 C=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB2732 [0,1,0,0,0,0|0,0,1]=2 15 B22R3.87769445 C=CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB2732 [0,1,0,0,0,0|0,0,1]=2 16 B22R3.87769445 CC#CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1240 [0,1,0,0,0,0|0,0,1]=2 17 B22R3.87769445 CC#CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1240 [0,1,0,0,0,0|0,0,1]=2 18 B22R3.87769445 CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0073 [0,1,0,0,0,0|0,0,0]=1 19 B22R3.87769445 CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0073 [0,1,0,0,0,0|0,0,0]=1 20 B22R3.87769445 COCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0090 [0,1,0,0,0,0|0,0,0]=1 21 B22R3.87769445 COCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0090 [0,1,0,0,0,0|0,0,0]=1 22 B22R3.87769445 CSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1267 [0,1,0,0,0,0|0,0,0]=1 23 B22R3.87769445 CSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1267 [0,1,0,0,0,0|0,0,0]=1 24 B22R3.87769445 N#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0057 [0,1,0,0,0,0|0,0,1]=2 25 B22R3.87769445 N#CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0057 [0,1,0,0,0,0|0,0,1]=2 26 B22R3.312186534 C=C(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1376 [0,1,0,0,0,0|0,0,2]=3 27 B22R3.312186534 C=C(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1376 [0,1,0,0,0,0|0,0,2]=3 28 B22R3.312186534 CC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0051 [0,1,0,0,0,0|0,0,1]=2 29 B22R3.312186534 CC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0051 [0,1,0,0,0,0|0,0,1]=2 30 B22R3.312186534 CC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0052 [0,1,0,0,0,0|0,0,0]=1 31 B22R3.312186534 CC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0052 [0,1,0,0,0,0|0,0,0]=1 32 B22R3.312186534 CC(S)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB2708 [0,1,0,0,0,0|0,0,0]=1 33 B22R3.312186534 CC(S)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB2708 [0,1,0,0,0,0|0,0,0]=1 34 B22R3.312186534 C[C@@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1085 [0,1,0,0,0,0|0,0,0]=1 35 B22R3.312186534 C[C@@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1085 [0,1,0,0,0,0|0,0,0]=1 36 B22R3.312186534 NC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0128 [0,1,0,0,0,0|1,0,1]=3 37 B22R3.312186534 NC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0128 [0,1,0,0,0,0|1,0,1]=3 38 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F WXVL_AK00725SB0079 [0,1,0,0,0,0|1,0,0]=2 39 B22R3.312186534 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)F WXVL_AK00725SB0079 [0,1,0,0,0,0|1,0,0]=2 40 B23R3.244046157 C/C=C(\C)/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0343 [0,1,0,0,0,1|1,0,1]=4 41 B23R3.244046157 C/C=C(\C)/C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0343 [0,1,0,0,0,1|1,0,1]=4 42 B23R3.244046157 CCC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0344 [0,1,0,0,0,1|0,0,0]=2 43 B23R3.244046157 CCC(=O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0344 [0,1,0,0,0,1|0,0,0]=2 44 B23R3.244046157 CCC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0054 [0,1,0,0,0,1|1,0,1]=4 45 B23R3.244046157 CCC(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0054 [0,1,0,0,0,1|1,0,1]=4 46 B23R3.244046157 CC[C@@H](C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB00054 [0,1,0,0,0,1|1,0,1]=4 47 B23R3.244046157 CC[C@@H](C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB00054 [0,1,0,0,0,1|1,0,1]=4 48 B23R3.244046157 CC[C@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB3573 [0,1,0,0,0,1|0,0,2]=4 49 B23R3.244046157 CC[C@H](O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB3573 [0,1,0,0,0,1|0,0,2]=4 50 B23R3.636674777 CC(C)S(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0023 [0,2,0,0,0,0|1,0,0]=3 51 B23R3.636674777 CC(C)S(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0023 [0,2,0,0,0,0|1,0,0]=3 52 B23R3.658504685 C=CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0152 [0,2,0,0,0,0|1,0,1]=4 53 B23R3.658504685 C=CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0152 [0,2,0,0,0,0|1,0,1]=4 54 B23R3.658504685 CCCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0030 [0,2,0,0,0,0|1,0,0]=3 55 B23R3.658504685 CCCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0030 [0,2,0,0,0,0|1,0,0]=3 56 B23R3.658504685 N#CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0414 [0,2,0,0,0,0|1,0,1]=4 57 B23R3.658504685 N#CCS(=O)(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0414 [0,2,0,0,0,0|1,0,1]=4 58 B23R3.658504685 O=S(=O)(CCBr)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0461 [0,2,0,0,0,0|1,0,0]=3 59 B23R3.658504685 O=S(=O)(CCBr)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0461 [0,2,0,0,0,0|1,0,0]=3 60 B23R3.658504685 O=S(=O)(CCCl)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0029 [0,2,0,0,0,0|1,0,0]=3 61 B23R3.658504685 O=S(=O)(CCCl)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725HU0029 [0,2,0,0,0,0|1,0,0]=3 62 B23R3.78126579 C#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB2189 [0,2,0,0,0,0|0,0,0]=2 63 B23R3.78126579 C#CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB2189 [0,2,0,0,0,0|0,0,0]=2 64 B23R3.78126579 C=CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1035 [0,2,0,0,0,0|0,0,0]=2 65 B23R3.78126579 C=CCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB1035 [0,2,0,0,0,0|0,0,0]=2 66 B23R3.78126579 CCOCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0091 [0,2,0,0,0,0|0,0,0]=2 67 B23R3.78126579 CCOCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0091 [0,2,0,0,0,0|0,0,0]=2 68 B23R3.78126579 CCSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0002 [0,2,0,0,0,0|0,0,0]=2 69 B23R3.78126579 CCSCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0002 [0,2,0,0,0,0|0,0,0]=2 70 B23R3.78126579 COCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0156 [0,2,0,0,0,0|0,0,0]=2 71 B23R3.78126579 COCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0156 [0,2,0,0,0,0|0,0,0]=2 72 B23R3.78126579 CSCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0361 [0,2,0,0,0,0|0,0,0]=2 73 B23R3.78126579 CSCCC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0361 [0,2,0,0,0,0|0,0,0]=2 74 B23R3.78126579 O=C(/C=C/CBr)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0424 [0,2,0,0,0,0|0,0,1]=3 75 B23R3.78126579 O=C(/C=C/CBr)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0424 [0,2,0,0,0,0|0,0,1]=3 76 B23R3.78126579 O=C(NCCCl)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725YV0092 [0,2,0,0,0,0|0,0,0]=2 77 B23R3.78126579 O=C(NCCCl)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725YV0092 [0,2,0,0,0,0|0,0,0]=2 78 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)C WXVL_AK00725SB0342 [0,2,0,0,0,0|0,0,1]=3 79 B23R3.640181574 CC(=CC(=O)NCCC1CCc2c1c3c(cc2)OCC3)C WXVL_AK00725SB0342 [0,2,0,0,0,0|0,0,1]=3 80 B23R3.640181574 CC(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0063 [0,2,0,0,0,0|0,0,0]=2 81 B23R3.640181574 CC(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0063 [0,2,0,0,0,0|0,0,0]=2 82 B23R3.640181574 CC(O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB3643 [0,2,0,0,0,0|0,0,0]=2 83 B23R3.640181574 CC(O)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB3643 [0,2,0,0,0,0|0,0,0]=2 84 B23R3.640181574 CN(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0085 [0,2,0,0,0,0|0,0,0]=2 85 B23R3.640181574 CN(C)CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0085 [0,2,0,0,0,0|0,0,0]=2 86 B23R3.640431479 CC(C)(Br)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0432 [0,2,0,0,0,0|0,0,0]=2 87 B23R3.640431479 CC(C)(Br)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0432 [0,2,0,0,0,0|0,0,0]=2 88 B23R3.640431479 CC(C)(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0078 [0,2,0,0,0,0|0,0,0]=2 89 B23R3.640431479 CC(C)(C)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0078 [0,2,0,0,0,0|0,0,0]=2 90 B23R3.640431479 CC(C)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0199 [0,2,0,0,0,0|0,0,0]=2 91 B23R3.640431479 CC(C)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0199 [0,2,0,0,0,0|0,0,0]=2 92 B23R3.640431479 CC(C)(O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0125 [0,2,0,0,0,0|0,0,0]=2 93 B23R3.640431479 CC(C)(O)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0125 [0,2,0,0,0,0|0,0,0]=2 94 B23R3.640431479 CC(F)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0197 [0,2,0,0,0,0|0,0,0]=2 95 B23R3.640431479 CC(F)(F)C(=O)NCCC1CCc2c1c3c(cc2)OCC3 WXVL_AK00725SB0197 [0,2,0,0,0,0|0,0,0]=2 96 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(Cl)(Cl)Cl WXVL_AK00725SB0416 [0,2,0,0,0,0|1,0,0]=3 97 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(Cl)(Cl)Cl WXVL_AK00725SB0416 [0,2,0,0,0,0|1,0,0]=3 98 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)Cl WXVL_AK00725SB3129 [0,2,0,0,0,0|1,0,0]=3 99 B23R3.640431479 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C(F)(F)Cl WXVL_AK00725SB3129 [0,2,0,0,0,0|1,0,0]=3 100 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CC4 WXVL_AK00725SB0038 [0,1,0,1,0,0|0,0,0]=2 101 B23R4.554472867 O=C(NCCC1CCc2c1c3c(cc2)OCC3)C4CC4 WXVL_AK00725SB0038 [0,1,0,1,0,0|0,0,0]=2