0 B10R0.74 NCC(=O)NCCCCCBr D84097 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.2 C#CCCCCCC(=O)O AT11953 [1,0,0,0,0,0|1,0,2]=4 2 B9R0.2 C=CCCCCCC(=O)O I11997 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.2 CCCCCCCC(=O)[O-] F12023 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.2 CCC\C=C/CCC(=O)O E70288 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 COCCOCCC(=O)O C70448 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.2 O=C(O)CNCCCCO 72467 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.45 CCCCOCCCCO S11917 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.46 CCCCCC[C@H](O)CBr D93070 [1,0,0,0,0,0|1,0,2]=4 9 B9R0.46 CCNCCCC(=O)OC 72977 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.46 CCOCCOC(=O)CCl D79711 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.46 COC(=O)CSCCCCl W12305 [1,0,0,0,0,0|3,0,0]=4 12 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,1,0,0,0,0|1,0,0]=2 13 B11R0.4 CCOC(=O)CCCCCC=O N10484 [0,1,0,0,0,0|1,0,1]=3 14 B11R0.4 CCOC(=O)CCNCCC#N AB10150 [0,1,0,0,0,0|2,0,1]=4 15 B11R0.4 CCOC(=O)\C=C\CCCCCl 56157 [0,1,0,0,0,0|1,0,2]=4 16 B11R0.40 COC(=O)CCCCCCC#N D93832 [0,1,0,0,0,0|1,0,1]=3 17 B11R0.40 COC(=O)CCCCCCC=O D94271 [0,1,0,0,0,0|1,0,1]=3 18 B11R0.40 COC(=O)CCCCCCCBr D94848 [0,1,0,0,0,0|1,0,0]=2 19 B11R0.111 COC(=O)CCCCCC(=O)O A11369 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.1 C=CCOC1CCC(=O)CC1 21086 [0,0,0,1,0,0|1,0,2]=4 21 B11R1.1 CCCOC1CCC(=O)CC1 O11282 [0,0,0,1,0,0|1,0,0]=2 22 B11R1.25 COC(=O)CCC1CCCC1 AB7510 [0,0,0,1,0,0|1,0,0]=2 23 B11R1.25 COC(=O)CC[C@H]1CCNC1 37986 [0,0,0,1,0,0|2,0,0]=3 24 B11R1.25 O=C(CCl)NCC1CCCC1 W16061 [0,0,0,1,0,0|2,0,0]=3 25 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [0,0,0,1,0,0|1,0,0]=2 26 B11R1.40 COC(=O)CN1CCNCC1 20983 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.40 COC(=O)C[C@H]1CCCNC1 64247 [0,0,0,1,0,0|2,0,0]=3 28 B11R1.40 COC(=O)C[C@H]1CCCNC1 64248 [0,0,0,1,0,0|2,0,0]=3 29 B11R1.40 COC(=O)C[C@H]1COCCN1 67400 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.222 COC(=O)C1CCNCC1C P18679 [0,0,0,1,0,0|2,0,0]=3 31 B11R1.222 COC(=O)C1CNCCC1C 85191 [0,0,0,1,0,0|2,0,0]=3 32 B11R1.222 COC(=O)[C@@H]1CNCCN1C C15749 [0,0,0,1,0,0|3,0,0]=4 33 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P18320 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N AB11610 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N P16222 [0,0,0,1,0,0|2,0,0]=3 36 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C 60938 [0,0,0,1,0,0|2,0,0]=3 37 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C P16722 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.852 COC(=O)C1CCCCCC1 70466 [0,0,0,1,0,0|1,0,0]=2 39 B11R1.852 COC(=O)N1CCCNCC1 72804 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.852 COC(=O)[C@H]1CCCNCC1 P12663 [0,0,0,1,0,0|2,0,0]=3 41 B8R0.4 C=CCCCCCC=O N11873 [2,0,0,0,0,0|0,0,2]=4 42 B8R0.4 C=CCCCCCCI W11175 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.4 COCCCCCCBr S10679 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.7 NCCCCCC(=O)O P19609 [2,0,0,0,0,0|2,0,0]=4 45 B8R0.7 NCCCCCC(N)=O AC6029 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.7 O=C([O-])CCCCCO Y14708 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.6 CCCCCC(=O)CBr C73149 [2,0,0,0,0,0|1,0,0]=3 48 B10R0.4 CC(=O)NCCCCCCN D93510 [1,1,0,0,0,0|1,0,0]=3 49 B10R0.4 O=C(O)CCCCCCCO S10749 [1,1,0,0,0,0|1,0,0]=3 50 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [1,1,0,0,0,0|2,0,0]=4 51 B10R0.55 COC(=O)CCCCC(C)=O F16317 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.75 CCCCCC[C@H](C)C(=O)Cl 13028 [1,1,0,0,0,0|1,0,0]=3 53 B12R0.101 CCCC[C@H](C)CCC(=O)OCC A11793 [0,2,0,0,0,0|0,0,0]=2 54 B12R0.239 CCOC(=O)CC(=O)CCCCCl AB22522 [0,2,0,0,0,0|1,0,1]=4 55 B12R0.277 CCOC(=O)CCCCCC(=O)Cl T70303 [0,2,0,0,0,0|1,0,1]=4 56 B12R0.277 CCOC(=O)CCCCCC(C)=O A11116 [0,2,0,0,0,0|0,0,1]=3 57 B12R0.184 COC(=O)CCNCCCN(C)C Y11404 [0,2,0,0,0,0|2,0,0]=4 58 B12R0.248 COC(=O)CCCCCCCC=O S10595 [0,2,0,0,0,0|1,0,0]=3 59 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [1,0,0,1,0,0|1,0,0]=3 60 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [1,0,0,1,0,0|0,0,2]=4 61 B10R1.18 CC(=O)CC1CCCCC1 D84585 [1,0,0,1,0,0|0,0,0]=2 62 B10R1.18 CC(=O)NC1CCCCC1 A11899 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.18 CN(C)CC1CCCCC1 78298 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.18 O=C(O)CC1CCNCC1 20237 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.61 CC1CCNCC1C(=O)O 85195 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.61 CC1CNCCC1C(=O)O P12933 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.66 O=C(O)CC[C@H]1CCOC1 72506 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.66 O=C(O)CNC1CCCC1 AB6936 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.66 O=C(O)CNC1CCCC1 W15241 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.78 O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|0,0,0]=2 85 B10R1.78 O=C1CCCCCCCN1 D74918 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.348 CC(=O)N1CCCNCC1 W19159 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.348 N=C(N)C1CCCCCC1 A11705 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.348 NC(=O)C1CCCCCC1 C72770 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.17 CCCCC1CCNCC1 25962 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.17 COCCC1CCNCC1 38531 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.1 N#CCC1CCC(=O)CC1 A10161 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.15 CCC(=O)C1CCCCC1 F53827 [1,0,0,1,0,0|0,0,0]=2 97 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [1,0,0,1,0,0|1,0,1]=4 99 B10R1.15 CNC(=O)[C@H]1CCCNC1 D75606 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12591 [1,0,0,1,0,0|2,0,0]=4 101 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12592 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.15 COC(=O)C1CCSCC1 74108 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.15 NCC(=O)N1CCCCC1 F21140 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.15 O=C(CBr)C1CCOCC1 P11188 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.15 O=C(CBr)N1CCCCC1 S12026 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.15 O=C(CO)C1CCCCC1 D93099 [1,0,0,1,0,0|1,0,0]=3 108 B10R1.27 COC(=O)C[C@H]1CCCN1 27751 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.27 COC(=O)C[C@H]1CCCN1 C74748 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.27 COC(=O)C[C@H]1CCNC1 11209 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.27 COC(=O)C[C@H]1CCNC1 11210 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.149 COC(=O)C1CNCC1C F21201 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.149 COC(=O)[C@@H]1CCCN1C D94450 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 30654 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N N12552 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N D96592 [1,0,0,1,0,0|2,0,0]=4 117 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C 95112 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P17333 [1,0,0,1,0,0|2,0,0]=4 119 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C P20900 [1,0,0,1,0,0|2,0,0]=4 120 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C S12236 [1,0,0,1,0,0|2,0,0]=4 121 B12R1.32 CCOC(=O)C=C1CCCCC1 76494 [0,1,0,1,0,0|0,0,2]=4 122 B12R1.32 CCOC(=O)CC1CCSCC1 D83795 [0,1,0,1,0,0|1,0,0]=3 123 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61904 [0,1,0,1,0,0|1,0,0]=3 124 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61925 [0,1,0,1,0,0|1,0,0]=3 125 B12R1.32 CCOC(=O)C[C@H]1CNCCO1 AB1438 [0,1,0,1,0,0|2,0,0]=4 126 B12R1.51 CCOC(=O)CCC1CCCC1 AB7178 [0,1,0,1,0,0|0,0,0]=2 127 B12R1.51 CCOC(=O)\C=C\C1CCCC1 W15488 [0,1,0,1,0,0|0,0,2]=4 128 B12R1.141 O=C1CCCCCCCC(=O)O1 F16497 [0,1,0,1,0,0|1,0,1]=4 129 B12R1.308 CCOC(=O)C1CCCCC1O C74768 [0,1,0,1,0,0|1,0,0]=3 130 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N P19069 [0,1,0,1,0,0|1,0,0]=3 131 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Y13526 [0,1,0,1,0,0|1,0,0]=3 132 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Y13543 [0,1,0,1,0,0|1,0,0]=3 133 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 68491 [0,1,0,1,0,0|1,0,0]=3 134 B12R1.308 CCOC(=O)[C@@H]1COCC[C@@H]1N 66160 [0,1,0,1,0,0|2,0,0]=4 135 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1N D95476 [0,1,0,1,0,0|1,0,0]=3 136 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1N F53563 [0,1,0,1,0,0|1,0,0]=3 137 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1O 68490 [0,1,0,1,0,0|1,0,0]=3 138 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C 50727 [0,1,0,1,0,0|1,0,0]=3 139 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C 50670 [0,1,0,1,0,0|1,0,0]=3 140 B12R1.308 CCOC(=O)[C@H]1CCNC[C@H]1C 60937 [0,1,0,1,0,0|1,0,0]=3 141 B12R1.310 CCOC(=O)CCCNC1CC1 61960 [0,1,0,1,0,0|1,0,0]=3 142 B12R1.310 CCOC(=O)CCCNC1CC1 C76605 [0,1,0,1,0,0|1,0,0]=3 143 B12R1.1 COCCCN1CCC(=O)CC1 12003 [0,1,0,1,0,0|1,0,0]=3 144 B12R1.27 COC(=O)CCC1CCNCC1 AT13298 [0,1,0,1,0,0|1,0,0]=3 145 B12R1.27 COC(=O)CCC1CCNCC1 P20545 [0,1,0,1,0,0|1,0,0]=3 146 B12R1.27 COC(=O)CCN1CCNCC1 AT22940 [0,1,0,1,0,0|2,0,0]=4 147 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 C72430 [0,1,0,1,0,0|2,0,0]=4 148 B12R1.371 COC(=O)CC1CNCCC1C P16234 [0,1,0,1,0,0|1,0,0]=3 149 B12R1.49 COC(=O)CN1CCC(O)CC1 W15943 [0,1,0,1,0,0|2,0,0]=4 150 B12R1.435 COC(=O)C1CCCC(CO)C1 P20235 [0,1,0,1,0,0|2,0,0]=4 151 B12R1.1658 COC(=O)[C@H]1CCCC(=O)CC1 63245 [0,1,0,1,0,0|1,0,1]=4 152 B12R1.21 O=C(O)CCC1CCC(=O)CC1 AC1679 [0,1,0,1,0,0|1,0,1]=4 153 B12R1.50 COC(=O)CN1CCC[C@H](O)C1 W15205 [0,1,0,1,0,0|2,0,0]=4 154 B12R1.368 COC(=O)[C@H]1CNC[C@@H]1C(C)C AR1370 [0,1,0,1,0,0|2,0,0]=4 155 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 F50286 [0,1,0,1,0,0|2,0,0]=4 156 B12R1.108 COC(=O)[C@@H](N)CC1CCCC1 67411 [0,1,0,1,0,0|1,0,0]=3 157 B12R1.1731 COC(=O)C1(N)CCCCCC1 W19002 [0,1,0,1,0,0|1,0,0]=3 158 B12R1.15 COC(=O)CC(=O)C1CCCC1 A10181 [0,1,0,1,0,0|1,0,1]=4 159 B12R1.15 COC(=O)CN(C)C1CCCC1 20932 [0,1,0,1,0,0|2,0,0]=4 160 B12R1.3524 COC(=O)CC1(N)CCOCC1 63923 [0,1,0,1,0,0|2,0,0]=4 161 B12R1.31 CCOC(=O)C[C@H]1CCC(=O)C1 88862 [0,1,0,1,0,0|1,0,1]=4 162 B12R2.24 CC1CCC2CCCCC2C1 D93419 [0,0,0,2,0,0|1,0,1]=4 163 B12R2.1175 O=C1CCC2(CCCO2)CC1 P10763 [0,0,0,2,0,0|1,0,0]=3 164 B12R2.1081 NC1CCCC2CCCCC12 72705 [0,0,0,2,0,0|1,0,1]=4 165 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 68528 [0,0,0,2,0,0|2,0,0]=4 166 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 87615 [0,0,0,2,0,0|2,0,0]=4 167 B12R2.1596 COC(=O)C1CC2CC1CN2 D79700 [0,0,0,2,0,0|2,0,0]=4 168 B12R2.1596 COC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 D79376 [0,0,0,2,0,0|2,0,0]=4 169 B12R2.1626 COC(=O)C[C@@H]1[C@@H]2CNC[C@@H]21 P20047 [0,0,0,2,0,0|2,0,0]=4 170 B12R2.2918 O=C1CC2(CCNCC2)CN1 26301 [0,0,0,2,0,0|2,0,0]=4 171 B12R2.2918 O=C1CC2(CCNCC2)CN1 79608 [0,0,0,2,0,0|2,0,0]=4 172 B12R2.2918 O=C1CCC2(CCCCC2)N1 91434 [0,0,0,2,0,0|1,0,0]=3 173 B12R2.2918 O=C1CCC2(CCNCC2)N1 P13123 [0,0,0,2,0,0|2,0,0]=4 174 B12R2.2918 O=C1CCC2(CCNCC2)O1 33494 [0,0,0,2,0,0|2,0,0]=4 175 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 P11463 [0,0,0,2,0,0|2,0,0]=4 176 B12R2.18 CN1C[C@@H]2CCNC[C@@H]2C1=O 37546 [0,0,0,2,0,0|2,0,0]=4 177 B12R2.18 CN1C[C@@H]2CCNC[C@@H]2C1=O P13260 [0,0,0,2,0,0|2,0,0]=4 178 B12R2.3937 O=C1CC[C@]2(CO)CCCN12 D96561 [0,0,0,2,0,0|2,0,0]=4 179 B12R2.1585 COC(=O)C1CCC2OC2C1 36356 [0,0,0,2,0,0|2,0,0]=4