0 B14R1.623 CCOC(=O)C1=CC=CC=C1C(=O)O RT11586 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.623 CCOC(=O)C1=CC=CC=C1[N+](=O)[O-] XJ1099 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.464 CCOC(=O)C1=CC=CC=C1CCl YH36514 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.464 CCOC(=O)C1=NC=CC=C1C#N YH98529 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 CJ2411 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.547 O=C(CBr)C1=C([N+](=O)[O-])C=CC=C1 JZ2999 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.572 CCCOC1=CC=CC=C1C(=O)O JZ0208 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.572 CCCOC1=CC=CC=C1C(N)=O RT6326 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.572 COCOC1=CC=CC=C1C(=O)O RT11947 [1,0,0,0,0,0|3,0,0]=4 9 B15R1.811 CCOC(=O)C1=CC=CC=C1S(N)(=O)=O YH09168 [0,1,0,0,0,0|1,0,1]=3 10 B15R1.1239 C=CCOC(=O)C1=CC=CC=C1C(=O)O RT12031 [0,1,0,0,0,0|0,0,1]=2 11 B15R1.1239 CCCOC(=O)C1=CC=CC=C1C(=O)O RT11634 [0,1,0,0,0,0|0,0,0]=1 12 B15R2.1221 O=C(O)C1=CC=CC=C1C2=NC=NO2 RT12066 [0,0,0,1,0,0|2,0,1]=4 13 B15R2.1221 O=C(O)C1=CC=CC=C1C2=NN=CO2 RT12065 [0,0,0,1,0,0|2,0,1]=4 14 B15R1.810 CCOC(=O)C1=CC=CC=C1OC(C)=O LQ0980 [0,0,0,0,0,1|1,0,0]=2 15 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 LX2827 [2,0,0,0,0,0|0,0,1]=3 16 B12R1.77 COC(=O)C1=CC=CC=C1C=O XJ2640 [2,0,0,0,0,0|0,0,0]=2 17 B12R1.77 COC(=O)C1=CC=CC=C1CBr JZ2022 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.77 COC(=O)C1=NC=CC=C1C=O LL2134 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.121 CCCOC1=C(C=O)C=CC=C1 YH15035 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.308 CCOC(=O)C1=C(C)C=NC=C1 YH08753 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.308 CCOC(=O)C1=C(N)C=CC=N1 RT2194 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 JZ4908 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 YH08219 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.308 CCOC(=O)C1=CN=CN=C1O JZ2600 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O LL0181 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.261 NC(=O)C1=CC=CC=C1C(N)=O LL0180 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 LL0867 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.261 O=C(O)C1=C(C(=O)O)C=NN=C1 YH09087 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.261 O=C(O)C1=C(I(=O)=O)C=CC=C1 YH11720 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O LL2271 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O RT8479 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O LX2790 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O HL0475 [2,0,0,0,0,0|0,0,1]=3 39 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)O XJ6408 [2,0,0,0,0,0|0,0,1]=3 40 B12R1.261 O=C([O-])C1=CC=CC=C1C(=O)[O-] LQ0924 [2,0,0,0,0,0|0,0,2]=4 41 B12R1.283 CCOC1=C(B(O)O)C=CC=C1 LT1483 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.283 CCOC1=C(C(=N)N)C=CC=C1 LX2978 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl LQ5094 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.283 CCOC1=CC=CC=C1C(=O)O LL0533 [2,0,0,0,0,0|0,0,0]=2 45 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(Cl)=C1 LT5542 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.746 COC(=O)C1=CC=CC=C1C(=O)OC RT12330 [1,1,0,0,0,0|0,0,0]=2 47 B14R1.1153 COC(=O)C1=C([N+](=O)[O-])C(C)=CC=C1 LQ2934 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.1153 COC(=O)C1=CC=CC(F)=C1[N+](=O)[O-] YH28641 [1,1,0,0,0,0|1,0,1]=4 49 B16R1.14964 CCOC(=O)C1=CC=CC=C1C(=O)OCC RT11617 [0,2,0,0,0,0|0,0,0]=2 50 B16R1.4547 O=C(O)COC(=O)C1=CC=CC=C1C(=O)O RT11788 [0,2,0,0,0,0|0,0,1]=3 51 B16R1.12475 CC(C)(C)OC(=O)C1=CC=CC=C1B(O)O YH20324 [0,2,0,0,0,0|1,0,1]=4 52 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O LL0020 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.1131 COC1=CC=C(O)C2=CC=CC=C12 HL1169 [1,0,0,1,0,0|2,0,0]=4 54 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)CC2 RT6368 [1,0,0,1,0,0|0,0,0]=2 55 B14R2.31359 O=C(O)C1=C2CCCCC2=CC=C1 RT10977 [1,0,0,1,0,0|1,0,1]=4 56 B16R3.153 O=C1OC=C2CCCC3=C2C1=CC=C3 YH35814 [0,0,0,2,0,0|2,0,0]=4 57 B14R1.617 CCOC(=O)C1=CC=CC([N+](=O)[O-])=C1 LQ1232 [0,0,0,0,1,1|1,0,1]=4