0 B13R1.388 CCOC1=CC=C(C(=C1)Cl)OCC S359424 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.114 C(=O)C1=CC(=C(C=C1)OCC)Br CDS021544 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.114 CCOC1=C(C=C(C=C1)CO)Cl CBR00273 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.114 CCOC1=CC=C(C=C1C)C=O CDS022250 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.116 C(=O)NC1=CC=C(C=C1)OCC S516678 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.116 CCOC1=CC=C(C=C1)CC#N PH011507 [1,0,0,0,0,0|1,0,2]=4 6 B12R1.116 CCOC1=CC=C(C=C1)CCN PH017152 [1,0,0,0,0,0|1,0,2]=4 7 B12R1.116 CCOC1=CC=C(C=C1)CCO PH011481 [1,0,0,0,0,0|1,0,2]=4 8 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,0,0,0,0,0|0,0,2]=3 10 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.140 CCOC1=C(C=C(C=C1)NC(=O)C)N S572012 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.6788 C/C=C/C1=CC=C(C(=C1)OC)OCC S926698 [0,1,0,0,0,0|0,0,0]=1 13 B14R1.6788 CCOC1=C(C=C(C=C1)CC#N)OC PH011508 [0,1,0,0,0,0|1,0,2]=4 14 B14R1.6788 CCOC1=C(C=C(C=C1)CCO)OC R278858 [0,1,0,0,0,0|1,0,2]=4 15 B14R1.6788 CCOC1=CC=C(C=C1OC)/C=N/C S767115 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.75 COC1=CC(=C(C=C1)OCCCl)Br T248274 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)CCl TMT00493 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.1249 CCOC1=CC=C(C=C1OC)CO R160156 [1,1,0,0,0,0|1,0,1]=4 32 B13R1.1249 CCOC1=CC=C(C=C1OC)CO S321699 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN PH010506 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)C ASX00070 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.142 CCOC1=CC=C(C=C1)NC(=N)N S862428 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N CDS021482 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N R610690 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N S205133 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Br S751855 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Cl S752126 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.386 C/N=C/C1=CC=C(C(=C1)OC)OC S880655 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.386 COC1=CC=C(C=C1OC)C=NO S368415 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.577 CO/N=C\C1=CC=C(C(=C1)Br)OC L170755 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.3088 COC1=CC=C(C=C1O)/C(=N/O)/C S80390 [1,1,0,0,0,0|2,0,0]=4 49 B15R1.9548 CCOC1=C(C=C(C=C1)CC(=O)O)OC S458708 [0,2,0,0,0,0|1,0,1]=4 50 B15R1.594 CC=CC1=CC=C(C(=C1)OC)OC(=O)C S351636 [0,2,0,0,0,0|0,0,1]=3 51 B15R1.3704 CCOC1=C(C=C(C=C1Br)/C=N/O)OC OTV000140 [0,2,0,0,0,0|2,0,0]=4 52 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 CDS014411 [1,0,0,1,0,0|1,0,1]=4 53 B13R2.57 NNC1=CC=C2OCCOC2=C1 CBR00939 [1,0,0,1,0,0|2,0,0]=4 54 B13R2.57 O=CC1=CN=C2OCCOC2=C1 ADE000032 [1,0,0,1,0,0|2,0,0]=4 55 B13R2.57 [C-]#[N+]C1=CC2=C(C=C1)OCCO2 PH015687 [1,0,0,1,0,0|1,0,1]=4 56 B13R2.449 C/N=C/C1=CC2=C(C=C1)OCO2 S483400 [1,0,0,1,0,0|2,0,0]=4 57 B13R2.599 COC1=C(C=C2C=NNC2=C1)O PH018730 [1,0,0,1,0,0|2,0,0]=4 58 B15R2.1668 CC(=O)CC1=CC2=C(C=C1)OCCO2 PH014738 [0,1,0,1,0,0|0,0,1]=3 59 B15R2.4416 CCOC1=CC2=C(C=C1C)SC(=N2)C S982148 [0,1,0,1,0,0|2,0,0]=4 60 B15R2.2220 CCCC1=C(C2=NC=CC=C2C=C1)O CDS025258 [0,1,0,1,0,0|1,0,1]=4 61 B15R2.1601 CCC(=O)C1=CC2=C(C=C1)OCCO2 JRD0549 [0,1,0,1,0,0|0,0,1]=3 62 B15R2.1601 COC(=O)C1=CN=C2OCCOC2=C1 ADE000044 [0,1,0,1,0,0|2,0,0]=4 63 B15R2.1601 O=C(CBr)C1=CC=C2OCCOC2=C1 PH010595 [0,1,0,1,0,0|1,0,1]=4 64 B15R3.4266 C1=NC2=CC3=C(C=C2N1)OCCO3 OTV000641 [0,0,0,2,0,0|2,0,0]=4