0 B12R1.652 CC1=NC=C(C(=C1O)C=O)CO CNP0119632.0 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.652 CC1=NC=C(C(=C1O)CN)CO CNP0195117.0 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.652 CC1=NC=C(C(=C1O)CO)C=O CNP0048630.0 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.652 CC1=NC=C(C(=C1O)CO)CO CNP0297581.0 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.652 CCC1=CC=C(C(=C1CC)C)C CNP0108226.0 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.278 CC1=NC=C(C(=C1O)C)CO CNP0346238.0 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.1253 CCCC1=CC=C(C(=C1CO)O)O CNP0465667.0 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.2277 COC1=C(N=CC(=C1CO)CO)C CNP0380777.0 [0,1,0,0,0,0|0,0,0]=1 11 B13R1.2279 CC1=NC=C(C(=C1O)C(=O)O)C=O CNP0068813.0 [0,1,0,0,0,0|0,0,3]=4 12 B13R1.2279 CC1=NC=C(C(=C1O)C(=O)O)CO CNP0244996.0 [0,1,0,0,0,0|0,0,1]=2 13 B13R1.3158 CC1=NC=C(C(=C1O)CO)C(=O)O CNP0580769.0 [0,1,0,0,0,0|0,0,1]=2 14 B13R1.3972 COCC1=C(C=NC(=C1N)C)CN CNP0362414.0 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.3972 COCC1=C(C=NC(=C1O)C)CO CNP0325342.0 [0,1,0,0,0,0|0,0,0]=1 16 B13R2.3790 CC1=NC=C2COC(=O)C2=C1O CNP0049783.0 [0,0,0,1,0,0|0,0,2]=3 17 B13R2.5180 CC1=NC=C2C(=O)OCC2=C1O CNP0395670.0 [0,0,0,1,0,0|0,0,2]=3 18 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.25 CC1=NC=C(C(=N)N1)CO CNP0546737.0 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.25 CC1=NC=C(C(=N1)N)CO CNP0300516.0 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.25 OCC1=CN=C(N=C1O)O CNP0334383.0 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.497 COCC1=C(C=NC(=C1O)C)C CNP0114344.0 [1,1,0,0,0,0|0,0,0]=2 51 B12R1.894 CC1=CC=C(C(=C1O)C(=O)O)C CNP0351770.0 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.542 CCCC1=CC=CC(=C1CO)O CNP0514197.0 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.893 CC1=CC=C(C(=C1O)C)C(C)C CNP0526701.0 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.557 COC1=C(C(=CC(=C1CO)CO)O)C CNP0330326.0 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.3941 CC1=C(C(=C(C(=C1CO)CO)O)O)O CNP0268132.0 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.2304 COC(=O)C1=C(C=NC(=C1O)C)CO CNP0408376.0 [0,2,0,0,0,0|0,0,1]=3 58 B14R1.2304 COC(O)C1=C(C=NC(=C1O)C)CO CNP0546478.0 [0,2,0,0,0,0|0,0,0]=2 59 B14R1.6060 CC1=NC=C(C(=C1O)C(=O)O)C(=O)O CNP0189904.0 [0,2,0,0,0,0|0,0,2]=4 60 B12R2.24 CC1=CC2=C(C=N1)CCCC2 CNP0203215.0 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.82 CC1=CC=C2CCCC2=C1O CNP0311243.0 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.24376 OC1=CC2=C(C(=C1O)O)[C@H](OC2)O CNP0243891.1 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.29369 CC1=CC=C2C[C@H](OCC2=C1O)C CNP0073267.1 [0,1,0,1,0,0|2,0,0]=4