0 B11R0.6 CC(CCCC(CC(=O)O)C)C 1P00F2FX [0,0,0,0,0,0|3,0,1]=4 1 B11R0.6 CC(CCCC(CC(=O)O)O)C 1P01XCSH [0,0,0,0,0,0|2,0,2]=4 2 B11R0.6 CC(CCOC(=O)CC(=O)O)C 1P028R12 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.6 CC(CCOC(=O)CC(C)C)C 1P003K7M [0,0,0,0,0,0|1,0,1]=2 4 B11R0.6 C[C@H](CCOC(=O)C[C@H](O)C)O 1P008TXT [0,0,0,0,0,0|1,0,2]=3 5 B10R0.3 CCCC(=O)OCCC(C)C 1P007DKU [1,0,0,0,0,0|0,0,1]=2 6 B10R0.3 CCOC(=O)CCCC(C)C 1P0007Q2 [1,0,0,0,0,0|2,0,1]=4 7 B10R0.3 N#CCC(=O)OCCN(C)C 1P028CXN [1,0,0,0,0,0|2,0,1]=4 8 B10R0.6 C#CCCCC(=O)CC(=O)C 1P0283IF [1,0,0,0,0,0|1,0,2]=4 9 B10R0.6 CCCCCC(CC(=O)C)C 1P00FHYK [1,0,0,0,0,0|2,0,1]=4 10 B10R0.6 CCCCOC(=O)CC(=O)C 1P003O3S [1,0,0,0,0,0|0,0,0]=1 11 B10R0.6 CCCCOC(=O)CC(C)C 1P003P2O [1,0,0,0,0,0|1,0,1]=3 12 B10R0.6 CCCCOC(=O)OC(Cl)C 1P01A69V [1,0,0,0,0,0|2,0,1]=4 13 B10R0.6 COCCOC(=O)CC(=O)C 1P003I0S [1,0,0,0,0,0|1,0,0]=2 14 B10R0.6 N#CCCOC(=O)CC(=O)C 1P00EBJN [1,0,0,0,0,0|1,0,1]=3 15 B10R0.6 NC(=O)NC(=O)OCCCCl 1P01A93K [1,0,0,0,0,0|3,0,0]=4 16 B10R0.97 CC(CCC=CCC(=O)O)N 1P0292EH [1,0,0,0,0,0|3,0,0]=4 17 B10R0.97 CC(CCCCCC(=O)O)C 1P003879 [1,0,0,0,0,0|2,0,1]=4 18 B10R0.97 CC(CCCOCC(=O)O)C 1P019Y19 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.97 CN(CCOCCC(=O)O)C 1P01E3XC [1,0,0,0,0,0|2,0,1]=4 20 B10R0.97 CN(CCOCCC(=O)O)C 1P027ZGE [1,0,0,0,0,0|2,0,1]=4 21 B12R0.240 ClCC(=O)NC(=O)NCCC(C)C 1P019ILD [0,1,0,0,0,0|2,0,0]=3 22 B12R1.101 CC(CC1CC(=O)NC(=O)C1)C 1P00GV3J [0,0,0,1,0,0|2,0,0]=3 23 B12R1.101 CC(CC1CC(=O)OC(=O)C1)C 1P0076SW [0,0,0,1,0,0|2,0,0]=3 24 B12R1.498 CC([C@@H]1CSC(=S)N1C(=O)C)C 1P0016VU [0,0,0,1,0,0|1,2,0]=4 25 B12R1.498 CC([C@H]1CSC(=S)N1C(=O)C)C 1P0006LR [0,0,0,1,0,0|1,2,0]=4 26 B12R1.1821 OC(=O)CC1OCCC(C1)(C)C 1P028SC8 [0,0,0,1,0,0|2,0,1]=4 27 B10R0.96 CC(COC(=O)CC(=O)C)C 1P003RJ7 [0,0,0,0,1,0|0,0,0]=1 28 B10R0.96 CC(COC(=O)CC(C)C)C 1P003RJG [0,0,0,0,1,0|1,0,1]=3 29 B10R0.96 OC(=O)CCC(=O)CC(=O)C 1P003L0J [0,0,0,0,1,0|2,0,1]=4 30 B10R0.98 CC(C(=O)O)OCCC(C)C 1P019YGV [0,0,0,0,1,0|2,0,1]=4 31 B10R0.98 CC(CCCC(=O)C(=O)O)C 1P01C3UZ [0,0,0,0,1,0|2,0,0]=3 32 B10R0.98 CC(CCNC(=O)C(=O)O)N 1P028BWE [0,0,0,0,1,0|3,0,0]=4 33 B10R0.98 CC(CCNC(=O)C(Cl)C)C 1P019L67 [0,0,0,0,1,0|2,0,1]=4 34 B10R0.98 CC(CCOC(=O)C(C)C)C 1P002A8T [0,0,0,0,1,0|1,0,1]=3 35 B10R0.98 CC(CCOC(=O)C(O)C)C 1P003RNR [0,0,0,0,1,0|0,0,2]=3 36 B9R0.1 C=CC(=O)OCCC(C)C 1P003O5G [2,0,0,0,0,0|0,0,1]=3 37 B9R0.1 CCC(=O)CCCC(C)C 1P00E8YX [2,0,0,0,0,0|1,0,0]=3 38 B9R0.1 CCC(=O)OCCC(C)C 1P003RIZ [2,0,0,0,0,0|0,0,0]=2 39 B9R0.1 CCC(=O)OCCN(C)C 1P002VOH [2,0,0,0,0,0|1,0,0]=3 40 B9R0.1 OCC(=O)OCCN(C)C 1P028SZW [2,0,0,0,0,0|1,0,1]=4 41 B9R0.2 CCCCC\C=C\C(=O)C 1P00348G [2,0,0,0,0,0|1,0,1]=4 42 B9R0.2 CCCCOCCC(=O)O 1P00FNFX [2,0,0,0,0,0|1,0,1]=4 43 B9R0.5 CCCCNC(=O)CCC 1P0008GT [2,0,0,0,0,0|1,0,1]=4 44 B9R0.5 CCCCNC(=O)CNC 1P000EDK [2,0,0,0,0,0|2,0,0]=4 45 B9R0.5 CCCCOC(=O)CC#N 1P00IA7S [2,0,0,0,0,0|1,0,1]=4 46 B9R0.5 CCCCOC(=O)CCS 1P001T9W [2,0,0,0,0,0|0,1,1]=4 47 B9R0.5 CCCCOC(=O)COC 1P002548 [2,0,0,0,0,0|1,0,0]=3 48 B9R0.5 CCCCOC(=O)CON 1P01B5IP [2,0,0,0,0,0|2,0,0]=4 49 B9R0.4 C=CCOC(=O)CC(=O)C 1P007VUN [2,0,0,0,0,0|0,0,2]=4 50 B9R0.4 CCCCC(=O)CC(=O)C 1P001DGE [2,0,0,0,0,0|0,0,0]=2 51 B9R0.4 CCCCC(=O)OC(=O)C 1P007Z4H [2,0,0,0,0,0|1,0,0]=3 52 B9R0.4 CCCOC(=O)CC(=O)C 1P00262G [2,0,0,0,0,0|0,0,0]=2 53 B9R0.4 ClCCOC(=O)CC(=O)C 1P00DLNV [2,0,0,0,0,0|1,0,0]=3 54 B9R0.4 OCCNC(=O)CC(=O)C 1P006X16 [2,0,0,0,0,0|2,0,0]=4 55 B9R0.4 OCCOC(=O)CC(=O)C 1P01HEE7 [2,0,0,0,0,0|1,0,0]=3 56 B11R0.145 CCC(C(=O)OCCC(C)C)C 1P002UQH [1,1,0,0,0,0|0,0,1]=3 57 B11R0.147 CCCCC(=O)OCCC(C)C 1P00I4C9 [1,1,0,0,0,0|0,0,1]=3 58 B11R0.174 CC(OC)CCOC(=O)CCS 1P003K44 [1,1,0,0,0,0|0,1,1]=4 59 B11R0.180 CCCC(=O)OCC[N+](C)(C)C 1P002QEC [1,1,0,0,0,0|1,0,1]=4 60 B11R0.180 CCCC(=O)OCC[N+](C)(C)C 1P002ZES [1,1,0,0,0,0|1,0,1]=4 61 B11R0.2 CCCCCCC(=O)CC(=O)O 1P00CZI6 [1,1,0,0,0,0|2,0,0]=4 62 B11R0.2 CCCCCOC(=O)CC(C)C 1P01CL2H [1,1,0,0,0,0|1,0,1]=4 63 B11R0.139 CCCCCC(=O)C(C(=O)C)C 1P00097W [1,1,0,0,0,0|1,0,0]=3 64 B11R0.154 CCCCCC(=O)CC(=O)OC 1P00BG4L [1,1,0,0,0,0|1,0,0]=3 65 B11R0.154 CCCCNC(=O)NC(=O)CCl 1P00CDWW [1,1,0,0,0,0|2,0,0]=4 66 B11R0.93 COC(=O)CC(=O)CCC(C)C 1P0086OO [0,1,0,0,1,0|0,0,0]=2 67 B11R0.93 ClCC(=O)NC(=O)NCC(C)C 1P00IAH3 [0,1,0,0,1,0|2,0,0]=4 68 B11R0.232 CC(CCS(=O)(=O)CC(=O)O)C 1P019UWN [0,1,0,0,1,0|2,0,0]=4 69 B11R0.318 CC(=C)C(=O)OCC[N+](C)(C)C 1P006GBT [0,1,0,0,1,0|2,0,0]=4 70 B11R0.318 CC(=C)C(=O)OCC[N+](C)(C)C 1P00I9IF [0,1,0,0,1,0|2,0,0]=4 71 B13R0.351 OC(=O)CCC(=O)OCC[N+](C)(C)C 1P00DKJP [0,1,0,0,0,1|2,0,0]=4 72 B11R1.90 CC(CCC1CCCC1=O)C 1P001V6T [1,0,0,1,0,0|1,0,1]=4 73 B11R1.157 CC(C[C@H]1COCC(=O)N1)C 1P0004IC [1,0,0,1,0,0|2,0,0]=4 74 B11R1.166 CC(C1CCC(=O)NC1=O)C 1P02937A [1,0,0,1,0,0|2,0,0]=4 75 B11R1.166 CC(C1CCC(=O)OC1=O)C 1P01GJ72 [1,0,0,1,0,0|2,0,0]=4 76 B11R1.166 O=C1CCC(C(C1)C)C(C)C 1P01A363 [1,0,0,1,0,0|1,0,1]=4 77 B11R1.166 O=C1CCN(C(=O)C1)C(C)C 1P00IGLP [1,0,0,1,0,0|2,0,0]=4 78 B11R1.565 O=C1CCCC(CC1)C(C)C 1P01ALFJ [1,0,0,1,0,0|1,0,1]=4 79 B11R1.645 CC(CC1CC(=O)OC1=O)C 1P01C9RW [1,0,0,1,0,0|2,0,0]=4 80 B11R1.645 CC(CC1NC(=O)NC1=O)C 1P006IVG [1,0,0,1,0,0|2,0,0]=4 81 B11R1.645 CC(CC1NC(=O)OC1=O)C 1P00DKH7 [1,0,0,1,0,0|2,0,0]=4 82 B11R1.645 CC(C[C@@H]1NC(=O)OC1=O)C 1P00C18Z [1,0,0,1,0,0|2,0,0]=4 83 B11R1.34 CCCC1CC(=O)CC(=O)C1 1P00EFHY [1,0,0,1,0,0|1,0,0]=3 84 B11R1.77 CC(=O)CC(=O)C1CCCO1 1P027ZIO [1,0,0,1,0,0|2,0,0]=4 85 B11R1.107 O=C1CCCCCCC(=O)O1 1P008YF6 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.143 CC(=O)N1CCCCCC1=O 1P002HSS [1,0,0,1,0,0|2,0,0]=4 87 B11R1.143 O=C1NCCCCC1C(=O)O 1P028MZJ [1,0,0,1,0,0|2,0,0]=4 88 B11R1.143 [O-]C(=O)C1CCCCCC1=O 1P0287T1 [1,0,0,1,0,0|2,0,0]=4 89 B11R1.230 CCCCC1CC(=O)OC1=O 1P0029EB [1,0,0,1,0,0|2,0,0]=4 90 B11R1.230 CCCCN1CC(=O)NC1=O 1P003F0U [1,0,0,1,0,0|2,0,0]=4 91 B11R1.230 CCCCN1N=C(CC1=O)C 1P006QJO [1,0,0,1,0,0|2,0,0]=4 92 B11R1.485 O=C(CC(=O)O)NCC1CC1 1P01BEA6 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.75 CC(CCC1CCC(=O)C1)C 1P01ANTN [1,0,0,1,0,0|1,0,1]=4 94 B11R1.234 OC(=O)CC1OCCC1(C)C 1P01FJBO [1,0,0,1,0,0|1,0,1]=4 95 B11R1.74 CC(C1CC(=O)CC(=O)C1)C 1P003NA5 [0,0,0,1,1,0|0,0,0]=2 96 B11R1.74 CC(C1CC(=O)NC(=O)C1)C 1P01DXEE [0,0,0,1,1,0|1,0,0]=3 97 B11R1.74 CC(C1CC(=O)OC(=O)C1)C 1P007247 [0,0,0,1,1,0|1,0,0]=3 98 B11R1.167 CC1CCC(=O)C(C1)[N+](=O)[O-] 1P028NVW [0,0,0,1,1,0|2,0,0]=4 99 B11R1.512 O=C1CC(=O)NCC(C1)(C)C 1P01C1N2 [0,0,0,1,1,0|1,0,0]=3 100 B11R1.21 CC(C1CC=C(C(=O)C1)C)C 1P00E3MO [0,0,0,1,1,0|2,0,0]=4 101 B11R1.314 CC1CCN(C1)C(=O)C(=O)O 1P01ACPR [0,0,0,1,1,0|2,0,0]=4 102 B13R1.129 N[C@@H]1CCN(C1)C(=O)CNC(=O)C 1P027VRV [0,0,0,1,0,1|2,0,0]=4 103 B13R1.8376 CC(CC1(C)CC(=O)NC(=O)C1)C 1P01BA3X [0,1,0,1,0,0|2,0,0]=4 104 B13R1.164 CC(CCC1CCC(=O)NC1=O)C 1P01A0CM [0,1,0,1,0,0|2,0,0]=4 105 B13R1.1814 CCC(=O)N1C(=O)OC[C@@H]1C(C)C 1P003BFO [0,1,0,1,0,0|1,0,0]=3 106 B13R1.1814 CCC(=O)N1C(=O)OC[C@H]1C(C)C 1P003CJV [0,1,0,1,0,0|1,0,0]=3 107 B13R1.1814 CCC(=O)N1C(=S)OC[C@H]1C(C)C 1P000NV4 [0,1,0,1,0,0|1,1,0]=4 108 B13R1.1814 ClCC(=O)N1C(=O)OC[C@@H]1C(C)C 1P006FDH [0,1,0,1,0,0|1,0,0]=3 109 B13R1.1814 ClCC(=O)N1C(=O)OC[C@H]1C(C)C 1P01G43Q [0,1,0,1,0,0|1,0,0]=3 110 B13R1.4652 COC(=O)C1C(=O)CCCC1(C)C 1P005L65 [0,1,0,1,0,0|1,0,0]=3 111 B13R2.5187 CC1CCC2C(C1)C(=O)OC2=O 1P00I3IT [0,0,0,2,0,0|2,0,0]=4 112 B9R0.48 C=CCC(=O)OCC(C)C 1P003RJO [1,0,0,0,1,0|0,0,1]=3 113 B9R0.48 CCCC(=O)OCC(C)C 1P003RJA [1,0,0,0,1,0|0,0,1]=3 114 B9R0.48 CCOC(=O)CCC(C)C 1P0035C3 [1,0,0,0,1,0|1,0,1]=4 115 B9R0.48 CCOC(=O)OCC(C)C 1P003AK0 [1,0,0,0,1,0|1,0,1]=4 116 B9R0.48 N#CCC(=O)OCC(C)C 1P003RJB [1,0,0,0,1,0|1,0,1]=4 117 B9R0.47 CC(=C)C(=O)OCCCO 1P002UOR [1,0,0,0,1,0|2,0,0]=4 118 B9R0.47 CCCCCC(=O)C(=O)O 1P000VJ8 [1,0,0,0,1,0|2,0,0]=4 119 B9R0.47 CCCCNC(=O)C(=C)C 1P00BGYT [1,0,0,0,1,0|2,0,0]=4 120 B9R0.47 CCCCOC(=O)C(=C)F 1P0001GA [1,0,0,0,1,0|1,0,1]=4 121 B9R0.47 CCCCOC(=O)C(=O)N 1P003TZ8 [1,0,0,0,1,0|1,0,0]=3 122 B9R0.47 CCCCOC(=O)C(Br)C 1P003H9K [1,0,0,0,1,0|1,0,1]=4 123 B9R0.47 CCCCOC(=O)C(Cl)C 1P00DSO2 [1,0,0,0,1,0|1,0,1]=4 124 B9R0.47 CCCCOC(=O)C(O)C 1P0018A3 [1,0,0,0,1,0|0,0,2]=4 125 B9R0.47 CCCCOC(=O)[C@@H](N)C 1P002XAH [1,0,0,0,1,0|1,0,1]=4 126 B9R0.47 CCCCOC(=O)[C@@H](N)C 1P00GAGB [1,0,0,0,1,0|1,0,1]=4 127 B9R0.47 COCCOC(=O)C(=C)C 1P006826 [1,0,0,0,1,0|2,0,0]=4 128 B9R0.47 CSCCOC(=O)C(=C)C 1P003FK9 [1,0,0,0,1,0|2,0,0]=4 129 B9R0.47 [O-]C(=O)C(=O)OCCCC 1P0014UE [1,0,0,0,1,0|1,0,0]=3 130 B9R0.55 CC(CCCCC(=O)O)C 1P00GS4R [1,0,0,0,1,0|1,0,1]=4 131 B9R0.55 CC(CCOCC(=O)O)C 1P006C8E [1,0,0,0,1,0|1,0,0]=3 132 B9R0.55 CC(CCSCC(=O)O)C 1P019XPV [1,0,0,0,1,0|1,1,0]=4 133 B9R0.55 CC(CC\C=C\C(=O)O)C 1P028B0G [1,0,0,0,1,0|1,0,1]=4 134 B9R0.55 CC(COCCC(=O)O)C 1P019NR0 [1,0,0,0,1,0|1,0,1]=4 135 B9R0.55 CN(CCCCC(=O)C)C 1P01A66E [1,0,0,0,1,0|1,0,1]=4 136 B9R0.55 CN(CCOCC(=O)O)C 1P01DXED [1,0,0,0,1,0|2,0,0]=4 137 B9R0.7 CC(CCC(=O)C(=O)O)C 1P01C5LE [0,0,0,0,2,0|1,0,0]=3 138 B9R0.7 CC(CNC(=O)C(=O)O)C 1P005DBN [0,0,0,0,2,0|2,0,0]=4 139 B9R0.7 CC(COC(=O)C(=C)C)O 1P002V9Z [0,0,0,0,2,0|2,0,0]=4 140 B9R0.7 CC(COC(=O)C(=C)C)O 1P003A88 [0,0,0,0,2,0|2,0,0]=4 141 B9R0.7 CC(COC(=O)C(O)C)C 1P00EH6K [0,0,0,0,2,0|0,0,2]=4 142 B9R0.7 CC(COC(=O)[C@@H](N)C)C 1P01E979 [0,0,0,0,2,0|1,0,1]=4 143 B9R0.53 CC(=O)CC(=O)OC(C)C 1P00IA53 [0,0,0,0,2,0|0,0,0]=2 144 B9R0.53 CC(CC(=O)CC(C)C)C 1P0033IH [0,0,0,0,2,0|1,0,1]=4 145 B9R0.53 CC(CC(CC(=O)C)C)C 1P003832 [0,0,0,0,2,0|1,0,1]=4 146 B9R0.53 CC(C\C(C)=N\C(C)C)=O 1P01KIX0 [0,0,0,0,2,0|2,0,0]=4 147 B9R0.53 CC(OC(=O)C=C(N)C)C 1P001I46 [0,0,0,0,2,0|1,0,1]=4 148 B9R0.53 CC(OC(=O)CC(=S)N)C 1P019NA4 [0,0,0,0,2,0|1,1,0]=4 149 B11R0.46 CCCCCC(=O)CCC(=O)O 1P00EGEK [1,0,0,0,0,1|2,0,0]=4 150 B11R0.46 CCCCCC(=O)NCC(=O)O 1P006Y4A [1,0,0,0,0,1|2,0,0]=4 151 B11R0.46 CCCCOC(=O)C=CC(=O)O 1P019PLU [1,0,0,0,0,1|1,0,1]=4 152 B11R0.46 CCCCOC(=O)CCC(=O)C 1P002AEJ [1,0,0,0,0,1|0,0,0]=2 153 B11R0.46 COCCOC(=O)CCC(=O)O 1P00FVJN [1,0,0,0,0,1|2,0,0]=4 154 B13R0.1398 CC(CCC\C(=C\CCC(=O)C)\C)C 1P0027HS [0,0,0,0,0,2|2,0,0]=4