0 B7R1.3 C1=CC(=O)NC=C1 S6360 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.3 C1=CN=CC=C1N S5028 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 C1=CC=C(C=C1)C=O S5574 [0,1,0,0,0,0|0,0,1]=2 3 B8R1.2 C1=CC=C(C=C1)CO S4600 [0,1,0,0,0,0|0,0,0]=1 4 B8R1.2 C1=CC=C(C=C1)CO S4600 [0,1,0,0,0,0|0,0,0]=1 5 B8R1.2 C1=CN=C(N=C1)C#N S5611 [0,1,0,0,0,0|3,0,0]=4 6 B8R1.3 C1=CC(=CC=C1Cl)Cl S6300 [0,1,0,0,0,0|1,0,0]=2 7 B8R1.3 C1=CC(=CC=C1O)O S4580 [0,1,0,0,0,0|0,0,0]=1 8 B8R1.3 C1=CC(=CC=C1O)O S4580 [0,1,0,0,0,0|0,0,0]=1 9 B8R1.3 CC1=CC=C(O)C=C1 S6017 [0,1,0,0,0,0|0,0,0]=1 10 B8R1.4 C1=C(NC(=O)N=C1)N S4893 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.4 C1=CN=C(NC1=O)N S6256 [0,1,0,0,0,0|2,0,1]=4 12 B8R1.4 C1=CNC(=O)NC1=O S4177 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.4 C1=CNC(=S)NC1=O S3100 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.4 C1=CNC(=S)NC1=O S3100 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.4 CC1=CC=CC(=C1)O S6331 [0,1,0,0,0,0|0,0,0]=1 16 B8R1.5 C1=CC=C(C(=C1)O)O S6305 [0,1,0,0,0,0|0,0,0]=1 17 B8R1.5 C1=CC=[N+](C(=C1)[S-])[O-] S4075 [0,1,0,0,0,0|1,0,1]=3 18 B8R1.5 C1=CC=[N+](C(=C1)[S-])[O-] S4075 [0,1,0,0,0,0|1,0,1]=3 19 B8R1.5 C1=CN=CC(=C1N)N S4622 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.5 C1=CN=CC(=C1N)N S4622 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.5 CC1=C(O)C=CC=C1 S6199 [0,1,0,0,0,0|0,0,0]=1 22 B6R0.4 C=CCCC(=O)O S6268 [0,0,1,0,0,0|1,0,2]=4 23 B6R1.2 C1=CSC(=N1)N S4198 [0,0,0,0,1,0|3,0,0]=4 24 B6R1.2 CC1=CC=NN1 S5146 [0,0,0,0,1,0|3,0,0]=4 25 B6R1.2 CC1=CNN=C1 S1717 [0,0,0,0,1,0|3,0,0]=4 26 B6R1.2 CC1=CNN=C1 S1717 [0,0,0,0,1,0|3,0,0]=4 27 B7R0.4 CC=CC=CC(=O)O S4983 [0,1,1,0,0,0|1,0,0]=3 28 B7R0.6 C(=CC(=O)O)C(=O)O S4952 [0,1,1,0,0,0|2,0,0]=4 29 B7R0.6 C(=CC(=O)O)C(=O)O S5340 [0,1,1,0,0,0|2,0,0]=4 30 B9R1.5 C1=CC=C(C(=O)C=C1)O S5688 [0,1,0,0,0,1|0,0,0]=2 31 B9R1.1 C1=CC(=CC=C1C=O)O S6008 [0,2,0,0,0,0|0,0,0]=2 32 B9R1.1 C1=CC(=CC=C1CO)O S3857 [0,2,0,0,0,0|0,0,0]=2 33 B9R1.1 CCC1=CC=C(C=C1)O S6308 [0,2,0,0,0,0|0,0,0]=2 34 B9R1.1 COC1=CC=C(C=C1)O S4077 [0,2,0,0,0,0|0,0,0]=2 35 B9R1.1 COC1=CC=C(C=C1)O S4077 [0,2,0,0,0,0|0,0,0]=2 36 B9R1.2 C1=CC(=CC(=C1)O)CO S6363 [0,2,0,0,0,0|0,0,0]=2 37 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,2,0,0,0,0|1,0,1]=4 38 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,2,0,0,0,0|1,0,1]=4 39 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,2,0,0,0,0|1,0,0]=3 40 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,2,0,0,0,0|1,0,0]=3 41 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [0,2,0,0,0,0|1,0,0]=3 42 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,2,0,0,0,0|0,0,1]=3 43 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,2,0,0,0,0|0,0,1]=3 44 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [0,2,0,0,0,0|0,0,0]=2 45 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [0,2,0,0,0,0|0,0,1]=3 46 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,2,0,0,0,0|1,0,1]=4 47 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,2,0,0,0,0|1,0,1]=4 48 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [0,2,0,0,0,0|1,0,0]=3 49 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [0,2,0,0,0,0|1,0,1]=4 50 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [0,2,0,0,0,0|1,1,0]=4 52 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [0,2,0,0,0,0|0,0,1]=3 53 B9R1.6 CC(C1=CC=CC=C1)N S6260 [0,2,0,0,0,0|1,0,0]=3 54 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [0,2,0,0,0,0|0,0,1]=3 55 B9R1.8 C1=CC=C(C=C1)CCN S5346 [0,2,0,0,0,0|1,0,0]=3 56 B9R1.8 C1=CC=C(C=C1)CCN S5347 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.8 C1=CC=C(C=C1)CCO S3703 [0,2,0,0,0,0|0,0,0]=2 58 B9R1.15 C1=CC=C(C(=C1)CO)O S5562 [0,2,0,0,0,0|0,0,0]=2 59 B9R1.15 COC1=CC=CC=C1O S3872 [0,2,0,0,0,0|0,0,0]=2 60 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,2,0,0,0,0|1,0,0]=3 61 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,2,0,0,0,0|1,0,0]=3 62 B9R1.69 C1=C(C(=CNC1=O)Cl)O S2055 [0,2,0,0,0,0|1,0,0]=3 63 B9R1.69 CC1=C(C=CC(=C1)O)Cl S4209 [0,2,0,0,0,0|0,0,0]=2 64 B9R1.69 CC1=CC(=C(C=C1)O)O S5616 [0,2,0,0,0,0|0,0,0]=2 65 B9R1.3 C1=CC(=C(C(=C1)O)O)O S3885 [0,2,0,0,0,0|0,0,0]=2 66 B9R1.3 CC1=C(C(=O)C=CO1)O S4940 [0,2,0,0,0,0|1,0,0]=3 67 B9R1.3 CC1=C(C(=O)C=CO1)[O-] S2255 [0,2,0,0,0,0|1,0,1]=4 68 B9R1.34 CC1=CC(=CC(=C1)O)O S9329 [0,2,0,0,0,0|0,0,0]=2 69 B5R1.1 C1=CN=CN1 S6006 [1,0,0,0,1,0|2,0,0]=4