0 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 C[C@H](N)C1=COC=C1 D81573 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 C[C@H](N)C1=NNC=C1 AT26569 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 O=C(O)C1=NC=NS1 AC1260 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 C#CC1=CN=CN1 79521 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13914 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13915 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.35 CC1=COC(C(=O)[O-])=N1 AT25441 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.35 CN(C)C1=CC(N)=NN1 P12532 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11523 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.35 NC(=O)C1=CN=C(N)O1 D83519 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.35 O=C(O)C1=CC(Cl)=CO1 P20559 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.35 O=C(O)C1=CC(F)=CN1 W11739 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.41 CC(C)C1=CN=CN1C F51223 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.41 CC1=CON=C1C(=O)O C74055 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.6 C[C@H](N)C1=CC=CN=N1 P20592 [0,0,0,0,0,1|1,0,2]=4 20 B9R1.6 C[C@H](N)C1=NC=CC=N1 AT18259 [0,0,0,0,0,1|1,0,2]=4 21 B9R1.6 C[C@H](N)C1=NC=NC=C1 F15538 [0,0,0,0,0,1|1,0,2]=4 22 B9R1.13 O=C(O)CC1=CN=CO1 AC2863 [0,0,0,0,0,1|3,0,0]=4 23 B9R1.13 O=C(O)CC1=COC=C1 D96340 [0,0,0,0,0,1|3,0,0]=4 24 B6R0.3 C=CC(=O)C(=O)O AC9460 [1,0,1,0,0,0|2,0,0]=4 25 B6R0.3 C=C[C@H](N)C(=O)O F31036 [1,0,1,0,0,0|1,0,1]=4 26 B6R1.2 FC1=NC=CN1 F31129 [2,0,0,0,0,0|2,0,0]=4 27 B6R1.2 O=C1NN=CO1 D96956 [2,0,0,0,0,0|2,0,0]=4 28 B8R1.1 N#CC1=CC(Cl)=CN1 C75675 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,1,0,0,0,1|0,0,1]=3 30 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [0,1,0,0,0,1|1,0,1]=4 31 B10R1.61 O=C(O)C1=C(F)C=NC=N1 P13931 [0,1,0,0,0,1|1,0,1]=4 32 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,1,0,0,0,1|1,0,1]=4 33 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,1,0,0,0,1|0,0,1]=3 34 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [0,1,0,0,0,1|1,0,1]=4 35 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C71768 [0,1,0,0,0,1|1,0,1]=4 36 B10R1.14 COC(=O)C1=NC=C(C)N1 Y14700 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.14 COC(=O)C1=NC=C(N)S1 P13279 [0,2,0,0,0,0|1,0,1]=4 38 B10R1.14 COC(=O)C1=NNC(I)=C1 P14584 [0,2,0,0,0,0|1,0,1]=4 39 B10R1.149 COC(=O)C1=NNC=C1F P16729 [0,2,0,0,0,0|1,0,1]=4 40 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [0,2,0,0,0,0|1,0,0]=3 41 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [0,2,0,0,0,0|1,0,0]=3 42 B10R1.58 CC1=C(Br)N=C(C(=O)O)N1 96268 [0,2,0,0,0,0|2,0,0]=4 43 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,0,1,1,0,0|2,0,0]=4 44 B8R1.5 NC1=CC=NNC1=O 36341 [0,0,1,1,0,0|2,0,0]=4 45 B10R2.32 O=C1CCN2C=NC=C12 65837 [0,1,0,1,0,0|1,0,0]=3 46 B10R2.32 O=C1NCC2=C1C=CS2 94719 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.18 CC(=O)NC1=NC=NC=C1 78895 [0,0,0,0,0,2|0,0,1]=3 48 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [0,0,0,0,0,2|1,0,1]=4