0 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [1,0,0,0,0,0|2,0,1]=4 1 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 CNCCC1=CC=CC=N1 S3176 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 CNCCC1=CC=CC=N1 S5498 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 CNCCC1=CC=CC=N1 S5619 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O S6131 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 S4170 [0,0,0,1,0,0|2,0,1]=4 11 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [0,0,0,0,1,0|3,0,0]=4 13 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [0,0,0,0,1,0|3,0,0]=4 14 B10R1.15 COC(=O)C1=CC=CC=N1 S6317 [0,0,0,0,1,0|1,0,0]=2 15 B10R1.15 COC(=O)C1=CN=CC=C1 S6231 [0,0,0,0,1,0|1,0,0]=2 16 B12R1.27 COC(=O)C=CC1=CC=CC=C1 S6221 [0,0,0,0,0,1|0,0,1]=2 17 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [2,0,0,0,0,0|0,0,0]=2 18 B9R1.8 C1=CC=C(C=C1)CCN S5346 [2,0,0,0,0,0|1,0,1]=4 19 B9R1.8 C1=CC=C(C=C1)CCN S5347 [2,0,0,0,0,0|1,0,1]=4 20 B9R1.8 C1=CC=C(C=C1)CCO S3703 [2,0,0,0,0,0|0,0,1]=3 21 B11R1.28 C1=CC=C(C=C1)COCCO S1660 [1,1,0,0,0,0|2,0,0]=4 22 B11R1.91 CC(=O)CCC1=CC=CC=C1 S9376 [1,1,0,0,0,0|1,0,1]=4 23 B11R1.91 CC(=O)OCC1=CC=CC=C1 S5576 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.20 C1=CC(=CC=C1CC(=O)O)O S4863 [1,1,0,0,0,0|0,0,0]=2 25 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O S6053 [1,1,0,0,0,0|0,0,1]=3 26 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O S9003 [1,1,0,0,0,0|0,0,0]=2 27 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 S6009 [1,1,0,0,0,0|0,0,1]=3 28 B11R1.36 CC(C1=CC=CC=C1)C(=O)O S6321 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O S6154 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F S3025 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F S3025 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,1,0|2,0,0]=4 33 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O S3696 [0,1,0,0,1,0|2,0,0]=4 34 B11R1.22 CCC(=O)C1=CC=C(C=C1)O S5396 [0,1,0,0,1,0|1,0,0]=3 35 B11R1.22 COC(=O)C1=CC=C(C=C1)O S3985 [0,1,0,0,1,0|0,0,0]=2 36 B11R1.222 COC(=O)C1=CC=CC=C1O S3756 [0,1,0,0,1,0|0,0,0]=2 37 B11R1.222 COC(=O)C1=CC=CC=C1O S3756 [0,1,0,0,1,0|0,0,0]=2 38 B11R1.222 COC(=O)C1=NC=CN=C1N S6230 [0,1,0,0,1,0|2,0,0]=4 39 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O S3873 [0,1,0,0,0,1|0,0,1]=3 40 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O S3873 [0,1,0,0,0,1|0,0,1]=3 41 B11R2.1 CC1=CNC2=CC=CC=C12 S4959 [1,0,0,1,0,0|2,0,0]=4 42 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 S5575 [1,0,0,1,0,0|1,0,0]=3 43 B11R2.10 C1C2=CC=CC=C2NC1=O S4861 [1,0,0,1,0,0|1,0,0]=3 44 B13R2.10 C1CN(NC1=O)C2=CC=CC=C2 S5520 [0,0,0,1,0,1|2,0,0]=4 45 B13R2.64 C1CN=C(N1)CC2=CC=CC=C2 S4124 [0,1,0,1,0,0|2,0,0]=4 46 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O S4767 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,0,0,0,1,0|2,0,0]=4 48 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [1,0,0,0,1,0|2,0,0]=4 49 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,1,0|1,0,0]=3 50 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [1,0,0,0,1,0|1,0,0]=3 51 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [1,0,0,0,1,0|2,0,0]=4 52 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,1,0|1,0,0]=3 53 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,1,0|1,0,0]=3 54 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [1,0,0,0,1,0|0,0,0]=2 55 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [1,0,0,0,1,0|0,0,1]=3 56 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,0,0,0,1,0|2,0,0]=4 57 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [1,0,0,0,1,0|2,0,0]=4 58 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [1,0,0,0,1,0|1,0,0]=3 59 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [1,0,0,0,1,0|1,0,1]=4 60 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [1,0,0,0,1,0|1,0,0]=3 61 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [1,0,0,0,1,0|0,0,0]=2 62 B9R1.6 CC(=O)C1=NC=CN=C1 S6261 [1,0,0,0,1,0|2,0,0]=4 63 B9R1.6 CC(C1=CC=CC=C1)N S6260 [1,0,0,0,1,0|1,0,1]=4 64 B9R1.13 C1=C(NC=N1)CC(=O)O S6094 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.11 COC(=O)C1=CC=CO1 S5636 [0,0,0,0,2,0|1,0,0]=3