0 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 LQ0236 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 LT4145 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 LT2883 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 LQ2454 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 JZ4330 [1,0,0,0,0,0|1,0,0]=2 5 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 YH35979 [0,1,0,0,0,0|2,0,1]=4 6 B15R1.959 COC(C)CCOC(=O)C1=CC=CC=C1 XJ3201 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 XJ0998 [0,0,0,0,1,0|1,0,1]=3 8 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 XJ2107 [0,0,0,0,1,0|2,0,1]=4 9 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 RT9342 [0,0,0,0,1,0|3,0,0]=4 10 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 LT1122 [0,0,0,0,1,0|1,0,0]=2 11 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 YH00033 [0,0,0,0,1,0|2,0,1]=4 12 B12R1.8 BrCCCOCC1=CC=CC=C1 YH06316 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.8 CCCCCCC1=CC=CC=C1 JZ4393 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.8 CCCCOCC1=CC=CC=C1 HL0050 [2,0,0,0,0,0|0,0,1]=3 15 B12R1.8 OCCCOCC1=CC=CC=C1 JZ2614 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [2,0,0,0,0,0|0,0,0]=2 17 B12R1.30 CCCNC(=O)C1=NC=CC=C1 CJ3376 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HL2226 [2,0,0,0,0,0|0,0,0]=2 19 B12R1.30 NCCOC(=O)C1=CN=CC=C1 RT2347 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.30 O=C(CCCO)C1=CC=CN=C1 RT9397 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.30 O=C(OCCO)C1=CC=CC=C1 RT0571 [2,0,0,0,0,0|1,0,0]=3 22 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 LT7046 [1,1,0,0,0,0|0,0,0]=2 23 B14R1.29 CCCC(C)NC(=O)C1=NC=CC=C1 CJ3378 [1,1,0,0,0,0|2,0,0]=4 24 B14R1.46 CCCCOS(=O)(=O)C1=CC=CC=C1 RT8805 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1N XJ3347 [0,1,0,0,1,0|0,0,0]=2 26 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O LQ0199 [0,1,0,0,1,0|0,0,0]=2 27 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 RT1383 [0,1,0,0,1,0|1,0,0]=3 28 B14R1.678 CC1=CC=C(C(=O)CNC(C)C)C=C1 RT6161 [0,1,0,0,1,0|1,0,0]=3 29 B14R1.678 CN(C)CCC(=O)C1=CC=C(Br)C=C1 RT1558 [0,1,0,0,1,0|1,0,0]=3 30 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 CJ2866 [0,0,0,1,1,0|0,0,0]=2 31 B16R2.3356 CN(C)CCC1CC2=C(C=CC=C2)C1=O RT2711 [0,1,0,1,0,0|2,0,0]=4 32 B12R1.35 CCCCCC(=O)C1=CC=CS1 LQ4517 [1,0,0,0,1,0|2,0,0]=4 33 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [1,0,0,0,1,0|1,0,1]=4 34 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [1,0,0,0,1,0|1,0,1]=4 35 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 LX2642 [0,0,0,0,2,0|2,0,0]=4 36 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HL1237 [0,0,0,0,2,0|1,0,1]=4 37 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 LT4351 [1,0,0,0,0,1|0,0,0]=2