0 B12R1.286 COC1=CC(CCN)=CC=C1O 10603 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.189 COC1=CC=CC(CC#N)=C1 26793 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.189 COC1=CC=CC(CCN)=C1 32493 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.192 NCCC1=CC=C(O)C(O)=C1 11757 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.280 CCC1=CC(OC)=C(O)C=C1 27548 [1,0,0,0,0,0|0,0,1]=2 5 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 29065 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.280 COC1=C(O)C=CC(C#N)=C1 26790 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.280 COC1=C(O)C=CC(C=O)=C1 27090 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.280 COC1=C(O)C=CC(CN)=C1 27642 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.280 COC1=C(O)C=CC(CO)=C1 12971 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.280 COC1=CC(C=O)=CC=C1F 21819 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 02317 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.386 COC1=C(OC)C=C(CCO)C=C1 26849 [0,1,0,0,0,0|1,0,1]=3 13 B13R2.599 COC1=C(Br)C=C2C=NNC2=C1 26349 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.599 COC1=CC2=C(C=CN2)C=C1Cl 21015 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.10 N#CCC1=CC(O)=CC=C1 28724 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.172 COC1=CC=CC(CBr)=C1 14049 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.172 COC1=CC=CC(CCl)=C1 07251 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.172 COC1=CC=CC(OC)=C1 31189 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.172 COC1=NC(C=O)=CC=C1 19223 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.172 CSC1=CC=CC(C=O)=C1 26618 [2,0,0,0,0,0|1,1,0]=4 21 B10R1.1 NCCC1=CC=C(O)C=C1 00831 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.1 NCCC1=CC=C(O)C=C1 21913 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.1 O=CCC1=CC=C(Cl)C=C1 17835 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 O=CCC1=CC=C(F)C=C1 17837 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.176 CC1=C(Br)C=CC(CO)=C1 29912 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 CC1=C(C)C=C(CN)C=C1 29260 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.176 N#CC1=CC(O)=C(O)C=C1 27407 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 27427 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.176 O=CC1=CC(O)=C(I)C=C1 27912 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 O=CC1=CC(O)=C(O)C=C1 21243 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.30 COC1=C(C)C=CC(I)=C1 28997 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.30 COC1=C(O)C=CC(C)=C1 29782 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.30 COC1=C(O)C=CC(C)=C1 29784 [2,0,0,0,0,0|0,0,0]=2 34 B10R1.30 COC1=CC(Br)=CC=C1Cl 21663 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.30 COC1=CC(Cl)=CC=C1N 17703 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 26663 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 20816 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 20817 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.19 CC1=CC(CC(=O)O)=CC=C1O 28947 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 21643 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 21188 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 32442 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 28300 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 28287 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 26877 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.78 COC1=C(OC)C=C(CO)C=C1 26916 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O 28480 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 26585 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.453 CCC1=CC=C(O)C(C(C)=O)=C1 24667 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.41 COC1=C(O)C=CC(C(O)C(=O)O)=C1 21966 [0,2,0,0,0,0|1,0,0]=3 51 B14R1.1864 COC1=C(OC)C=C(C(O)CN)C=C1 23302 [0,2,0,0,0,0|1,0,1]=4 52 B14R1.439 CCOC1=CC(CC(=O)O)=CC=C1O 21513 [0,2,0,0,0,0|1,0,0]=3 53 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 21921 [0,2,0,0,0,0|1,0,0]=3 54 B14R1.793 CNCCC1=CC(OC)=C(OC)C=C1 32465 [0,2,0,0,0,0|0,0,2]=4 55 B14R1.793 COC1=C(OC)C=C(\C=C\C#N)C=C1 26795 [0,2,0,0,0,0|0,0,2]=4 56 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 21842 [0,2,0,0,0,0|0,0,1]=3 57 B14R1.42 COC1=CC(\C=C\C(=O)[O-])=CC=C1O 31785 [0,2,0,0,0,0|0,0,1]=3 58 B12R2.44 COC1=CC2=C(C=C1)NC=C2 01406 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.44 COC1=CC2=C(C=C1)NCC2 18115 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.44 COC1=CC2=C(C=CN2)C=C1 21873 [1,0,0,1,0,0|1,0,0]=3 61 B12R2.44 COC1=CC=C2CNCC2=C1 20412 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.315 COC1=C2NCCC2=CC=C1 20593 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.315 COC1=CC=CC2=C1C=CN2 21948 [1,0,0,1,0,0|1,0,0]=3 64 B12R2.315 COC1=CC=CC2=C1NC=C2 22066 [1,0,0,1,0,0|1,0,1]=4 65 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 20987 [1,0,0,1,0,0|1,0,0]=3 66 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 21180 [0,1,0,1,0,0|1,0,0]=3