0 B12R1.286 C=CCC1=CC(OC)=C(O)C=C1 BBL027721 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BBL009806 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.189 COC1=CC(N=C=S)=CC=C1 BBL027946 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 BBL029399 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.192 CNCC1=CC(Cl)=C(O)C=C1 BBL036728 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.192 NCCC1=CC(O)=C(O)C=C1 BBL013043 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BBL036404 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.280 COC1=CC(C=O)=CC=C1O BBL011956 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.280 COC1=CC(CO)=CC=C1O BBL008880 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 BBL028691 [0,1,0,0,0,0|0,0,3]=4 10 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 BBL009805 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.386 C=CCC1=CC(OC)=C(OC)C=C1 BBL027720 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BBL036932 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 BBL023006 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.386 C\C=C\C1=CC=C(OC)C(OC)=C1 BBL009809 [0,1,0,0,0,0|0,0,2]=3 15 B13R2.449 BrCCC1=CC=C2OCCC2=C1 BBL030678 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.449 CCNC1=CC=C2OCOC2=C1 BBL027763 [0,0,0,1,0,0|1,0,2]=4 17 B13R2.449 C\C=C\C1=CC=C2OCOC2=C1 BBL027540 [0,0,0,1,0,0|0,0,2]=3 18 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 BBL012569 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.176 CC1=C(C)C=C(CN)C=C1 BBL037742 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.176 CCC1=CC=C(O)C(N)=C1 BBL008072 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 BBL036718 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.176 O=CC1=CC=C(O)C(O)=C1 BBL010377 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.280 CNCC1=CC=CC(OC)=C1O BBL036647 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.382 COC1=CC(OCCBr)=CC=C1 BBL029109 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.382 COC1=CC=CC(OCCN)=C1 BBL003515 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.438 COC1=CC=CC(NC(N)=S)=C1 BBL023334 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 BBL020407 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.288 C=CCC1=CC=C(OC)C(O)=C1 BBL028696 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.288 CCCC1=CC=C(OC)C(O)=C1 BBL028695 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 BBL009710 [1,1,0,0,0,0|0,0,1]=3 32 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBL011982 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BBL027681 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.78 COC1=CC=C(C=O)C=C1OC BBL010373 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.78 COC1=CC=C(CO)C=C1OC BBL027469 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 BBL037390 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BBL012743 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O BBL023239 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.300 COC1=CC(C=O)=CC(Cl)=C1O BBL023134 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BBL011124 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BBL013991 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.41 COC1=CC(C(N)C(=O)O)=CC=C1O BBL008186 [0,2,0,0,0,0|1,0,0]=3 43 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC BBL027727 [0,2,0,0,0,0|0,0,1]=3 44 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O BBL010345 [0,2,0,0,0,0|0,0,1]=3 45 B12R2.315 COC1=CC=CC2=C1C=CN2 BBL010878 [1,0,0,1,0,0|1,0,0]=3 46 B14R2.1008 N=C(N)NC1=CC2=C(C=C1)OCO2 BBL031903 [0,1,0,1,0,0|2,0,0]=4 47 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 BBL029530 [0,1,0,1,0,0|2,0,0]=4 48 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 BBL008286 [0,1,0,1,0,0|1,0,1]=4 49 B14R2.991 S=C=NCC1=CC2=C(C=C1)OCO2 BBL027970 [0,1,0,1,0,0|1,0,1]=4