0 B8R1.7 C1=CN=C(N1)[N+](=O)[O-] S2267 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 C1=CN=C(N1)[N+](=O)[O-] S2267 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 C1=CN=C(N1)[N+](=O)[O-] S2267 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 C1=CNC(=C1)C(=O)O S5832 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 C1=COC(=C1)C(=O)O S4864 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 C1=COC=C1C(=O)O S6097 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.11 COC(=O)C1=CC=CO1 S5636 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.35 CC1=CC(=NN1)C(=O)O S5434 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.35 CC1=CC(=NN1)C(=O)O S5434 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.41 C1=NC(=C(N1)C(=O)N)N S3651 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.4 CC=CC=CC(=O)O S4983 [0,0,1,0,0,0|2,0,0]=3 11 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,0,0,0,0,1|1,0,1]=3 12 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,0,0,0,0,1|1,0,1]=3 13 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,0,0,0,0,1|1,0,1]=3 14 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,0,0,0,0,1|1,0,1]=3 15 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [0,0,0,0,0,1|3,0,0]=4 16 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,0,0,0,0,1|2,0,0]=3 17 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,0,0,0,0,1|2,0,0]=3 18 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [0,0,0,0,0,1|2,0,0]=3 20 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,0,0,0,0,1|1,0,1]=3 21 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,0,0,0,0,1|1,0,1]=3 22 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [0,0,0,0,0,1|1,0,1]=3 23 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [0,0,0,0,0,1|1,0,1]=3 24 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [0,0,0,0,0,1|1,0,1]=3 25 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [0,0,0,0,0,1|1,0,1]=3 26 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [0,0,0,0,0,1|1,0,1]=3 27 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [0,0,0,0,0,1|2,0,0]=3 28 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [0,0,0,0,0,1|2,1,0]=4 29 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [0,0,0,0,0,1|1,0,0]=2 30 B9R1.6 CC(=O)C1=NC=CN=C1 S6261 [0,0,0,0,0,1|0,0,1]=2 31 B9R1.6 CC(C1=CC=CC=C1)N S6260 [0,0,0,0,0,1|2,0,1]=4 32 B9R1.13 C1=C(NC=N1)CC(=O)O S6094 [0,0,0,0,0,1|2,0,0]=3 33 B6R1.2 CC1=CC=NN1 S5146 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.1 CC1=CC=C(O1)C=O S9381 [1,1,0,0,0,0|1,0,0]=3 35 B8R1.8 C1=C(NC=N1)CCN S3968 [1,1,0,0,0,0|1,0,1]=4 36 B8R1.8 C1=C(NC=N1)CCN S4117 [1,1,0,0,0,0|1,0,1]=4 37 B8R1.8 C1=C(NC=N1)CCN S4118 [1,1,0,0,0,0|1,0,1]=4 38 B8R1.8 C1=C(NC=N1)CCN S4118 [1,1,0,0,0,0|1,0,1]=4 39 B8R1.8 C1=C(NN=C1)CCN S6612 [1,1,0,0,0,0|1,0,1]=4 40 B8R1.8 C1=C(NN=C1)CCN S6612 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.13 C1=CC(=O)NC=C1C(=O)O S6285 [0,1,0,0,0,1|1,0,0]=3 45 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.15 C1=CN=CC=C1C(=O)NN S1937 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.15 COC(=O)C1=CC=CC=N1 S6317 [0,1,0,0,0,1|0,0,1]=3 48 B10R1.15 COC(=O)C1=CN=CC=C1 S6231 [0,1,0,0,0,1|0,0,1]=3 49 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O S6252 [0,1,0,0,0,1|1,0,1]=4 50 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,1,0,0,0,1|1,0,1]=4 51 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,1,0,0,0,1|1,0,1]=4 52 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,1,0,0,0,1|1,0,1]=4 53 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [0,1,0,0,0,1|1,0,0]=3 59 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N S4785 [0,1,0,0,0,1|1,0,1]=4 66 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)O S4995 [0,1,0,0,0,1|1,0,1]=4 67 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O S3802 [0,1,0,0,0,1|1,0,1]=4 68 B10R1.31 C1=C(OC(=C1)C(=O)O)CO S6081 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.4 C1=C(NC(=O)N=C1)N S4893 [0,0,1,1,0,0|2,0,0]=4 70 B8R1.4 C1=CN=C(NC1=O)N S6256 [0,0,1,1,0,0|2,0,0]=4 71 B8R1.4 CC1=CC=CC(=C1)O S6331 [0,0,1,1,0,0|2,0,0]=4 72 B8R1.5 CC1=C(O)C=CC=C1 S6199 [0,0,1,1,0,0|2,0,0]=4 73 B8R1.2 C1=CC=C(C=C1)C=O S5574 [1,0,0,0,0,1|1,0,0]=3 74 B10R1.66 C1=C(NC=N1)C=CC(=O)O S9449 [0,0,0,0,0,2|2,0,0]=4 75 B10R1.66 CC(=O)OCC1=CC=CO1 S5831 [0,0,0,0,0,2|1,0,0]=3