0 B13R0.2 CCCCCCCCCC(=O)OCC T31708 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.1 CCCCCCCCC(=O)OCC T19315 [1,0,0,0,0,0|0,0,0]=1 2 B12R0.5 CCCCCCCCC/C=C/C=O TN6927 [1,0,0,0,0,0|2,0,1]=4 3 B12R0.5 CCCCCCCCCCCCO T9514 [1,0,0,0,0,0|2,0,1]=4 4 B12R0.5 CCCCCCCCCCOC=C T31314 [1,0,0,0,0,0|0,0,3]=4 5 B12R0.248 CCCCCCCCCC(=O)NC T31309 [1,0,0,0,0,0|1,0,0]=2 6 B12R0.248 CCCCCCCCCC(=O)NN T31346 [1,0,0,0,0,0|2,0,0]=3 7 B12R0.248 CCCCCCCCCC(=O)NO T33614 [1,0,0,0,0,0|2,0,0]=3 8 B12R0.248 CCCCCCCCCC(=O)OC T33337 [1,0,0,0,0,0|0,0,0]=1 9 B12R0.248 COC(=O)CCOCCOCCO T15516 [1,0,0,0,0,0|3,0,0]=4 10 B14R0.181 CCCCCCCCCC(=O)C(O)CC T30687 [0,1,0,0,0,0|1,0,0]=2 11 B14R0.181 CCCCCCCCCC(=O)N(C)N=O T31310 [0,1,0,0,0,0|3,0,0]=4 12 B14R0.391 CCCCCCCCCC(=O)OC(C)C T21196 [0,1,0,0,0,0|0,0,0]=1 13 B14R0.432 CCOC(=O)CCCCCCCC(C)F T31705 [0,1,0,0,0,0|0,0,0]=1 14 B14R0.493 CCCCCCCCCC(=O)OCCC T21239 [0,1,0,0,0,0|0,0,0]=1 15 B14R0.493 CCCCCCCCCC(=O)OCCCl T29339 [0,1,0,0,0,0|0,0,0]=1 16 B14R0.493 CCCCCCCCCC(=O)OCCS T29354 [0,1,0,0,0,0|0,0,0]=1 17 B14R0.2432 CCCCCC(O)CCCC(=O)OCC T31703 [0,1,0,0,0,0|0,0,0]=1 18 B14R1.40 CCCCCCCCCC1OCCO1 T29359 [0,0,0,1,0,0|0,0,2]=3 19 B11R0.3 CCCCCCCCCCCC TN6897 [2,0,0,0,0,0|0,0,1]=3 20 B11R0.3 CCCCCCCCCCCO T7480 [2,0,0,0,0,0|1,0,1]=4 21 B11R0.3 CCCCCCCCCCOC T31321 [2,0,0,0,0,0|0,0,1]=3 22 B11R0.4 CCCCCCCC(OCC)=O TN6743 [2,0,0,0,0,0|0,0,0]=2 23 B11R0.40 CCCCCCCCC(=O)C=O T31307 [2,0,0,0,0,0|1,0,1]=4 24 B11R0.40 CCCCCCCCC(=O)OC TN6918 [2,0,0,0,0,0|0,0,0]=2 25 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [2,0,0,0,0,0|2,0,0]=4 26 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [2,0,0,0,0,0|0,0,2]=4 27 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [2,0,0,0,0,0|0,0,2]=4 28 B11R0.148 CCCCCCCCCC(C)=O T8017 [2,0,0,0,0,0|0,0,0]=2 29 B11R0.148 CCCCCCCCCC(C)O T22221 [2,0,0,0,0,0|0,0,2]=4 30 B11R0.148 CCCCCCCCCC(F)=O T31304 [2,0,0,0,0,0|1,0,0]=3 31 B11R0.148 CCCCCCCCCC(N)=O T31308 [2,0,0,0,0,0|1,0,0]=3 32 B11R0.148 CCCCCCCCCC(O)=O T30126 [2,0,0,0,0,0|0,0,0]=2 33 B11R0.148 CCCCCCCCCC(O)=O T33472 [2,0,0,0,0,0|0,0,0]=2 34 B11R0.148 CCCCCCCCCC(O)=O T33485 [2,0,0,0,0,0|0,0,0]=2 35 B11R0.148 CCCCCCCCCC(O)=O T3379 [2,0,0,0,0,0|0,0,0]=2 36 B11R0.148 CCCCCCCCCC(O)=O T34161 [2,0,0,0,0,0|0,0,0]=2 37 B11R0.148 CCCCCCCCCC([O-])=O T21240 [2,0,0,0,0,0|0,0,1]=3 38 B11R0.148 CCCCCCCCCC([O-])=O T30689 [2,0,0,0,0,0|0,0,1]=3 39 B11R0.148 CCCCCCCCCC([O-])=O T30994 [2,0,0,0,0,0|0,0,1]=3 40 B11R0.148 CCCCCCCCCC([O-])=O T31345 [2,0,0,0,0,0|0,0,1]=3 41 B11R0.148 CCCCCCCCCC([O-])=O T33164 [2,0,0,0,0,0|0,0,1]=3 42 B11R0.148 CCCCCCCCCC([O-])=O T34116 [2,0,0,0,0,0|0,0,1]=3 43 B11R0.148 CCCCCCCCCC([O-])=O T35308 [2,0,0,0,0,0|0,0,1]=3 44 B11R0.148 CCCCCCCCOC(C)=O T5667 [2,0,0,0,0,0|1,0,0]=3 45 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [2,0,0,0,0,0|0,0,2]=4 46 B13R0.367 CCOC(=O)CCCCC(=O)OCC T20272 [1,1,0,0,0,0|1,0,1]=4 47 B13R0.336 CCCCCCCCCCCCCC TN6959 [1,1,0,0,0,0|1,0,1]=4 48 B13R0.150 CCCCCCCCCC(=O)N(C)C T21111 [1,1,0,0,0,0|1,0,0]=3 49 B13R0.412 CCCCCCCCCC(CC)C=O T29346 [1,1,0,0,0,0|0,0,1]=3 50 B13R0.412 CCCCCCCCCC(OC)OC T31302 [1,1,0,0,0,0|0,0,2]=4 51 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO T33649 [0,2,0,0,0,0|1,0,0]=3 52 B15R0.2001 CCCCCCCCCC(OCC)OCC T29269 [0,2,0,0,0,0|0,0,2]=4 53 B15R0.111 CCOC(=O)CCCCCCCCC(O)=O T31336 [0,2,0,0,0,0|0,0,1]=3 54 B15R0.88 CCCCCCCCCC(=O)NCC(C)C T33681 [0,2,0,0,0,0|1,0,0]=3 55 B15R0.88 CCCCCCCCCC(=O)OCC(C)C T21223 [0,2,0,0,0,0|0,0,0]=2 56 B15R0.322 CCCCCCCCCC(=O)OCCCC T21230 [0,2,0,0,0,0|0,0,0]=2 57 B13R1.27 CCCCCCCC1CCC(O1)=O TN6744 [1,0,0,1,0,0|1,0,0]=3 58 B15R1.34 CCCCCCCCCC1OCC(C)O1 T31303 [0,1,0,1,0,0|0,0,2]=4