0 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.28 OCCCCC1CCCCC1 F53310 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 OCCCC[C@H]1CCCCN1 31923 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.55 CCCCC[C@H]1CC(=O)C=C(O)C1 Y10179 [0,1,0,0,0,0|1,0,2]=4 4 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,0,1,0,0,0|1,0,0]=2 5 B11R0.77 C=C[C@H](CCCCC)OC(C)=O D71009 [0,0,1,0,0,0|0,0,2]=3 6 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [0,0,1,0,0,0|0,0,2]=3 7 B11R0.148 NCCCCCCCCC(=O)O D94864 [0,0,1,0,0,0|1,0,0]=2 8 B11R0.148 O=C(O)CCOCCOCCBr S10585 [0,0,1,0,0,0|3,0,0]=4 9 B13R2.11128 O=C1CC2(CCNCC2)CCN1 O10929 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.11128 O=C1CC2(CCNCC2)CCN1 P18363 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.11128 O=C1CCCC2(CCNCC2)N1 P10895 [0,0,0,1,0,0|2,0,0]=3 12 B13R2.11128 O=C1NC2(CCNCC2)CCO1 P13183 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.11128 O=C1NCCC2(CCNCC2)O1 C73022 [0,0,0,1,0,0|2,0,0]=3 14 B10R0.1 CCCC(=O)OCCCSC 73858 [1,0,1,0,0,0|1,0,0]=3 15 B10R0.1 CCCCNCC(=O)OCC AB3730 [1,0,1,0,0,0|2,0,0]=4 16 B10R0.24 CCCCC[C@@H](CO)CCC 77487 [1,0,1,0,0,0|0,0,2]=4 17 B10R0.87 CCCC[C@H](CC)CC(=O)O A10554 [1,0,1,0,0,0|2,0,0]=4 18 B10R0.87 CCCC[C@H](CC)OC(C)=O 73884 [1,0,1,0,0,0|0,0,0]=2 19 B10R0.4 O=C(O)CCCCCCCO S10749 [1,0,1,0,0,0|1,0,0]=3 20 B12R0.101 CCCC[C@H](C)CCC(=O)OCC A11793 [0,1,1,0,0,0|2,0,0]=4 21 B12R0.206 CCCCCCO[C@@H](C)CCCC A11150 [0,1,1,0,0,0|1,0,1]=4 22 B12R0.233 CCCCCC(=O)CCCC(=O)O Y13481 [0,1,1,0,0,0|0,0,2]=4 23 B12R0.119 CCCCCCCCOP(=O)(O)O N11880 [0,1,1,0,0,0|2,0,0]=4 24 B12R0.234 C=CCCCCCCCCC(=O)[O-] C75615 [0,1,1,0,0,0|0,0,2]=4 25 B12R0.234 CCCCCCCCCCC(N)=O Y14687 [0,1,1,0,0,0|1,0,0]=3 26 B12R0.234 COCCOCCOCCC(=O)O W13677 [0,1,1,0,0,0|2,0,0]=4 27 B12R0.248 COC(=O)CCCCCCCC=O S10595 [0,1,1,0,0,0|1,0,1]=4 28 B12R0.251 CCCCCCCC[C@H](N)C(=O)O W18677 [0,1,1,0,0,0|0,0,0]=2 29 B12R0.268 CC(C)CCCCCCCC(=O)O A11263 [0,1,1,0,0,0|0,0,0]=2 30 B12R0.268 NC(=O)CCCCCCCC(=O)O D97249 [0,1,1,0,0,0|1,0,1]=4 31 B12R1.51 CCOC(=O)CCC1CCCC1 AB7178 [0,0,1,1,0,0|2,0,0]=4 32 B12R1.4 CCC1CCC(CC(=O)O)CC1 D81062 [0,0,1,1,0,0|2,0,0]=4 33 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 AC7875 [0,0,1,1,0,0|2,0,0]=4 34 B12R1.1343 O=C(O)CCN1CCCCCC1 D82188 [0,0,1,1,0,0|1,0,0]=3 35 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 68528 [1,0,0,1,0,0|2,0,0]=4 36 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 87615 [1,0,0,1,0,0|2,0,0]=4 37 B12R2.5121 O=C1CCOC2(CCCC2)C1 87243 [1,0,0,1,0,0|2,0,0]=4 38 B12R2.4370 C1CCC2(CC1)OCCCO2 D93393 [1,0,0,1,0,0|1,0,1]=4 39 B12R2.4370 C1CCC2(CCNCC2)OC1 F13281 [1,0,0,1,0,0|1,0,1]=4 40 B12R2.2918 O=C1CCC2(CCCCC2)N1 91434 [0,0,0,1,1,0|1,0,0]=3 41 B12R2.2918 O=C1CCC2(CCNCC2)N1 P13123 [0,0,0,1,1,0|2,0,0]=4 42 B12R2.2918 O=C1CCC2(CCNCC2)O1 33494 [0,0,0,1,1,0|1,0,0]=3 43 B12R2.2918 O=C1NCC2(CCNCC2)O1 W17464 [0,0,0,1,1,0|2,0,0]=4 44 B14R2.30027 O=C1CC(=O)CC2(CCCCC2)C1 84863 [0,1,0,1,0,0|1,0,1]=4 45 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [1,0,0,0,1,0|0,0,0]=2