0 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.75 COC1=NC=CN=C1CC(C)C CNP0323882.0 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [1,0,0,0,0,0|0,0,0]=1 7 B13R1.89 COC1=NC=CN=C1C(O)C(C)C CNP0352778.0 [0,1,0,0,0,0|0,0,0]=1 8 B13R1.91 OCC1=NC=CN=C1C[C@@H](O)CO CNP0239564.1 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.163 O[C@H]1COCC2=NC=CN=C2C1 CNP0162126.1 [0,0,0,1,0,0|3,0,0]=4 10 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [0,0,0,0,1,0|2,0,1]=4 11 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [0,0,0,0,1,0|2,0,0]=3 12 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [0,0,0,0,1,0|0,0,0]=1 14 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [0,0,0,0,1,0|0,1,0]=2 15 B10R0.54 CC(=NO)C(=NO)CC(C)C CNP0257307.0 [1,0,1,0,0,0|2,0,0]=4 16 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [2,0,0,0,0,0|0,0,2]=4 17 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [2,0,0,0,0,0|0,0,2]=4 18 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [2,0,0,0,0,0|0,0,0]=2 21 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [2,0,0,0,0,0|0,0,0]=2 25 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [2,0,0,0,0,0|0,0,0]=2 29 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC CNP0249428.1 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.127 CC(C)CC1N=C(CN=C1O)O CNP0595418.0 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.127 CC1=CN=C(C(=N1)CC(C)C)C CNP0331264.0 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.233 CC1=CN=C(C(=N1)C)CC(C)C CNP0086327.0 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.46 COC1=CC=C(C=C1C(C)C)C CNP0102635.0 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.46 COC1=NC=C(N=C1C(C)C)C CNP0379235.0 [0,1,0,0,1,0|0,0,0]=2 35 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.76 COC1=CC=CC=C1C(C)(C)O CNP0497584.0 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.76 COC1=NC=CN=C1C(C)(C)O CNP0352781.0 [0,1,0,0,1,0|0,0,0]=2 38 B14R1.1865 CC1=CN=C(C(=N1)CCC(C)C)CO CNP0374506.0 [0,1,0,0,0,1|2,0,0]=4 39 B12R2.202 C[C@@H]1CC2=CC=CC(=C2C1)O CNP0223083.1 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.2028 C[C@@H]1C[C@H](C2=NC=CC=C12)C CNP0115326.1 [0,0,0,1,1,0|2,0,0]=4 41 B10R1.5 CCCC1=C(N=CS1)CC CNP0002550.0 [1,0,0,0,1,0|2,0,0]=4 42 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [1,0,0,0,1,0|1,0,1]=4 43 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,0,0,0,1,0|2,0,0]=4 44 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,0,0,0,1,0|2,0,0]=4