0 B13R2.449 BrCCC1=CC=C2OCCC2=C1 B18496 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 E1432 [0,0,0,0,0,0|1,0,2]=3 2 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 H7322 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.44 N#CC1=CC=C2OCOC2=C1 P2155 [1,0,0,0,0,0|1,0,1]=3 4 B12R2.44 NCC1=CC=C2CCCC2=C1 A13467 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.44 OCC1=CC=C2CCCC2=C1 H13465 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.966 NCC(O)C1=CC2=C(C=C1)OCO2 A14636 [0,1,0,0,0,0|1,0,1]=3 7 B14R2.966 NNC(=O)C1=CC=C2OCOC2=C1 M4421 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.966 N\C(=N/O)C1=CC=C2OCOC2=C1 H13143 [0,1,0,0,0,0|2,0,1]=4 9 B14R2.966 N\N=C(/N)C1=CC=C2OCOC2=C1 B13144 [0,1,0,0,0,0|2,0,1]=4 10 B14R2.966 O=C(CBr)C1=CC=C2OCOC2=C1 B10774 [0,1,0,0,0,0|1,0,2]=4 11 B14R2.1008 N=C(N)CC1=CC=C2OCOC2=C1 B13135 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 B8971 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 B18356 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 E1324 [0,0,1,0,0,0|0,0,0]=1 15 B12R1.286 COC1=CC(CCN)=CC=C1O M9172 [0,0,1,0,0,0|1,0,1]=3 16 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [0,0,1,0,0,0|0,0,2]=3 17 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [0,0,1,0,0,0|0,0,2]=3 18 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 B10133 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.288 COC1=CC=C(CCN)C=C1O H9171 [0,0,1,0,0,0|1,0,1]=3 20 B11R1.83 CNCC1=CC=C(OC)C=C1 M12442 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.189 COC1=CC=CC(CC#N)=C1 M1205 [1,0,1,0,0,0|1,0,1]=4 22 B11R1.189 COC1=CC=CC(CC#N)=C1 M1205 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D1738 [1,0,1,0,0,0|1,0,1]=4 24 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D1738 [1,0,1,0,0,0|1,0,1]=4 25 B11R1.280 C(=O)C1=CC(OC)=C(O)C=C1 V0255 [1,0,1,0,0,0|1,0,0]=3 26 B11R1.280 C(=O)C1=CC=C(F)C(OC)=C1 F5224 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.280 CCC1=CC(OC)=C(O)C=C1 M4695 [1,0,1,0,0,0|0,0,1]=3 28 B11R1.280 COC1=C(O)C=CC(CN)=C1 H8581 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.279 C(=O)C1=CC=C(OC)C(Br)=C1 B5334 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.279 C(=O)C1=CC=C(OC)C(F)=C1 F2671 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B14252 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.279 COC1=C(O)C=C(C=O)C=C1 H0858 [1,0,1,0,0,0|1,0,0]=3 33 B11R1.279 COC1=CC=C(C#N)C=C1O H4011 [1,0,1,0,0,0|1,0,1]=4 34 B11R1.279 COC1=CC=C(C#N)C=C1O H4011 [1,0,1,0,0,0|1,0,1]=4 35 B11R1.279 COC1=CC=C(CCl)C=C1F F4171 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.279 COC1=CC=C(C[NH3+])C=C1Cl A13214 [1,0,1,0,0,0|2,0,0]=4 37 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B8982 [2,0,0,0,0,0|2,0,0]=4 38 B11R2.36 BrC1=CC=C2OCOC2=C1 B4101 [2,0,0,0,0,0|1,0,0]=3 39 B11R2.36 CC1=CC2=C(C=C1)NCC2 M19250 [2,0,0,0,0,0|2,0,0]=4 40 B11R2.36 CC1=CC=C2CCNC2=C1 M11912 [2,0,0,0,0,0|2,0,0]=4 41 B11R2.36 NC1=CC2=C(C=C1)OCO2 M0667 [2,0,0,0,0,0|1,0,0]=3 42 B11R2.36 OC1=CC=C2OCOC2=C1 M11664 [2,0,0,0,0,0|1,0,0]=3 43 B13R1.142 CCOC1=CC=C(CC(=N)N)C=C1 E14095 [0,1,1,0,0,0|2,0,0]=4 44 B13R1.52 COC1=CC(CC(C)=O)=CC=C1O H8215 [0,1,1,0,0,0|0,0,1]=3 45 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D4607 [0,1,1,0,0,0|1,0,1]=4 46 B13R1.386 COC1=CC=C(CCN)C=C1OC D18878 [0,1,1,0,0,0|1,0,1]=4 47 B13R1.4030 COC1=C(O)C(Br)=CC(CC#N)=C1 B10717 [0,1,1,0,0,0|1,0,1]=4 48 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 B10843 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.35 COC1=C(F)C=C(CC(=N)N)C=C1 F14031 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.35 COC1=CC=C(CC(=O)O)C=C1O H8278 [0,1,1,0,0,0|1,0,0]=3 51 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M0660 [1,1,0,0,0,0|0,0,1]=3 52 B13R2.430 N=C(N)C1=CC=C2OCOC2=C1 B13145 [1,1,0,0,0,0|1,0,0]=3 53 B13R2.430 N=C(N)C1=CC=C2OCOC2=C1 B15596 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.430 NC(=S)C1=CC=C2OCCC2=C1 D8184 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)OCC2 D8305 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCC2 D7624 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 P5052 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 B10250 [1,1,0,0,0,0|1,0,0]=3 59 B15R2.1601 NCC(O)C1=CC2=C(C=C1)OCCO2 A8812 [0,1,0,0,0,1|1,0,1]=4 60 B15R2.4239 NC(C(=O)O)C1=CC2=C(C=C1)OCO2 A13180 [0,2,0,0,0,0|1,0,0]=3 61 B15R2.4239 NC(C(=O)O)C1=CC2=C(C=C1)OCO2 A13180 [0,2,0,0,0,0|1,0,0]=3 62 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 M8680 [0,2,0,0,0,0|0,0,1]=3 63 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 D12489 [0,2,0,0,0,0|1,0,1]=4 64 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 D7675 [1,0,0,0,0,1|1,0,0]=3 65 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 B7622 [1,0,0,0,0,1|1,0,0]=3