0 B11R2.1 C1CC(=O)C2=CC=CC=C21 S9346 [0,0,0,0,0,0|2,0,1]=3 1 B11R2.1 CC1=CNC2=CC=CC=C12 S4959 [0,0,0,0,0,0|3,0,0]=3 2 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,0,0,0|2,0,0]=3 3 B12R2.1 C1=CC=C2C(=C1)C(=CN2)CO S2313 [0,1,0,0,0,0|2,0,0]=3 4 B12R2.1 C1=CC=C2C(=C1)C(=CN2)CO S2313 [0,1,0,0,0,0|2,0,0]=3 5 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,1,0,0,0,0|2,0,1]=4 6 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,1,0,0,0,0|2,0,1]=4 7 B12R2.612 B1(C2=C(CO1)C=C(C=C2)F)O S4996 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.612 C1=CC2=C(C=C1F)NNC2=O S0727 [0,1,0,0,0,0|1,0,2]=4 9 B12R2.612 C1=CC2=C(C=C1F)NNC2=O S0727 [0,1,0,0,0,0|1,0,2]=4 10 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [0,0,1,0,0,0|2,0,1]=4 12 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [0,0,1,0,0,0|1,1,1]=4 13 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O S6252 [0,0,1,0,0,0|2,0,0]=3 14 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,0,1,0,0,0|2,0,1]=4 15 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,0,1,0,0,0|2,0,1]=4 16 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,0,1,0,0,0|2,0,1]=4 17 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [0,0,1,0,0,0|0,0,2]=3 18 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [0,0,1,0,0,0|1,0,0]=2 19 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [0,0,1,0,0,0|1,0,0]=2 20 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,0,1,0,0,0|1,0,1]=3 21 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,0,1,0,0,0|1,0,1]=3 22 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [0,0,1,0,0,0|1,0,1]=3 23 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [0,0,1,0,0,0|2,0,0]=3 24 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 S4170 [0,0,0,0,0,1|2,0,1]=4 25 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O S6035 [0,0,0,0,0,1|2,0,0]=3 26 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,0,0,0,0,1|2,0,1]=4 27 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 S4547 [0,0,0,0,0,1|3,0,0]=4 28 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 S4547 [0,0,0,0,0,1|3,0,0]=4 29 B12R2.1081 C1=CC=C2C(=C1)C(=O)NC=N2 S9360 [0,0,0,0,0,1|1,0,2]=4 30 B12R2.1081 C1=CC=C2C(=C1)C(=O)O[Bi]O2 S4032 [0,0,0,0,0,1|1,0,1]=3 31 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,1,0,0,0|1,0,1]=4 32 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,1,0,0,0|1,0,1]=4 33 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [1,0,1,0,0,0|1,0,0]=3 34 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,1,0,0,0|0,0,2]=4 35 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,1,0,0,0|0,0,2]=4 36 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [1,0,1,0,0,0|0,0,1]=3 37 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [1,0,1,0,0,0|0,0,2]=4 38 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [1,0,1,0,0,0|1,0,1]=4 39 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [1,0,1,0,0,0|1,0,1]=4 40 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [1,0,1,0,0,0|1,0,1]=4 41 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,1,0,0,0|1,0,1]=4 42 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,1,0,0,0|1,0,1]=4 43 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [1,0,1,0,0,0|0,0,1]=3 44 B9R1.15 COC1=CC=CC=C1O S3872 [1,0,1,0,0,0|1,0,0]=3 45 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O S6053 [0,1,1,0,0,0|1,0,1]=4 46 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O S9003 [0,1,1,0,0,0|1,0,1]=4 47 B11R1.36 OC(O)C(=O)C1=CC=CC=C1 S5425 [0,1,1,0,0,0|1,0,1]=4 48 B11R1.28 C1=CC=C(C=C1)COCCO S1660 [0,1,1,0,0,0|1,0,1]=4 49 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O S3677 [0,1,1,0,0,0|2,0,0]=4 50 B11R1.91 C1=CC=C(C=C1)CCC(=O)O S6254 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.53 COC1=CC=CC=C1C(=O)O S6295 [0,1,1,0,0,0|1,0,0]=3 52 B11R1.156 C1=CC(=C(C(=C1)O)C(=O)O)O S6031 [0,1,1,0,0,0|1,0,0]=3 53 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O S4946 [0,1,1,0,0,0|1,0,0]=3 54 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O S3691 [0,1,1,0,0,0|1,0,0]=3 55 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S4404 [0,1,1,0,0,0|1,0,0]=3 56 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S4404 [0,1,1,0,0,0|1,0,0]=3 57 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O S5211 [0,1,1,0,0,0|1,0,0]=3 58 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)[O-] S4073 [0,1,1,0,0,0|1,0,1]=4 59 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)[O-] S4073 [0,1,1,0,0,0|1,0,1]=4 60 B11R1.166 C1=CC(=C(C=C1O)O)C(=O)O S6293 [0,1,1,0,0,0|1,0,0]=3 61 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)O S4762 [0,1,1,0,0,0|1,0,1]=4 62 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)O S5173 [0,1,1,0,0,0|1,0,1]=4 63 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O S5519 [0,1,1,0,0,0|1,0,0]=3 64 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O S1681 [0,1,1,0,0,0|1,0,0]=3 65 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O S1681 [0,1,1,0,0,0|1,0,0]=3 66 B11R1.167 C1=CC(=C(C=C1O)C(=O)O)O S3799 [0,1,1,0,0,0|1,0,0]=3 67 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O S9374 [0,1,1,0,0,0|1,0,1]=4 68 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 S5575 [1,1,0,0,0,0|2,0,0]=4 69 B11R2.36 C1=CC2=C(C=CN2)C=C1Br S5439 [1,1,0,0,0,0|2,0,0]=4 70 B11R2.36 C1OC2=C(O1)C=C(C=C2)O S3626 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.1613 C1=CC=C2C(=C1)C=NN=C2NN S2562 [0,1,0,0,0,1|2,0,0]=4 72 B13R2.1613 C1=CC=C2C(=C1)C=NN=C2NN S2562 [0,1,0,0,0,1|2,0,0]=4 73 B13R2.1613 C1=CC=C2C(=C1)C=NN=C2NN S2562 [0,1,0,0,0,1|2,0,0]=4 74 B13R2.1 C1=CC=C2C(=C1)C(=CN2)CCO S4858 [0,2,0,0,0,0|2,0,0]=4 75 B13R2.72 C1=CC=C2C(=C1)C(=CN2)C(=O)O S4860 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O S6154 [0,0,1,0,0,1|1,0,0]=3