0 B9R1.35 CC1=CC=C([C@H](C)N)O1 AT20911 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.35 CC1=COC(C(=O)[O-])=N1 AT25441 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC1=NC(C(N)=S)=CO1 D79721 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.35 CC1=NSC(C(=O)[O-])=N1 P17953 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11523 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 NC(=O)C1=CN=C(N)O1 D83519 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 O=C(O)C1=CC(Cl)=CO1 P20559 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 O=C(O)C1=CC(F)=CN1 W11739 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CC1=NC=C(CN)O1 C72631 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.7 C[C@H](N)C1=CC=CO1 Y14798 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.7 C[C@H](N)C1=CC=CS1 Y14840 [1,0,0,0,0,0|1,1,1]=4 11 B10R1.14 COC(=O)C1=NC=C(C)N1 Y14700 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.14 COC(=O)C1=NC=C(N)S1 P13279 [0,1,0,0,0,0|2,1,0]=4 13 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.31 NCC1=NC=C(C(=O)O)S1 86635 [0,1,0,0,0,0|2,1,0]=4 16 B10R1.58 CC1=C(Br)N=C(C(=O)O)N1 96268 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.59 CN1C=C(F)C(C(=O)O)=N1 97594 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.194 CC1=C(N)C(C(=O)O)=CS1 C76086 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [0,0,0,0,0,1|2,0,1]=4 21 B10R1.54 CC1=NC(CC(=O)O)=CO1 E70433 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13914 [1,1,0,0,0,0|1,0,1]=4 26 B9R1.11 N[C@@H](CO)C1=CC=CO1 Y13915 [1,1,0,0,0,0|1,0,1]=4 27 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.41 CC(=O)C1=CSC=C1Cl 82933 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [0,1,0,0,0,1|1,0,0]=3 30 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 F20825 [0,1,0,0,0,1|1,0,0]=3 31 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 W19243 [0,1,0,0,0,1|2,0,0]=4 32 B11R1.166 CC(=O)C1=NC=C(Br)C=C1Cl D79869 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.23 COC(=O)C1=CN=CC(I)=N1 W19701 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 P20760 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 Y10195 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,1,0,0,0,1|1,0,0]=3 37 B11R1.167 CC(=O)C1=C(N)N=CC(Cl)=N1 D79879 [0,1,0,0,0,1|2,0,0]=4 38 B11R1.167 CC(=O)C1=CC(F)=CN=C1F AT10058 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.266 NCC1=CC(C(N)=O)=CN=C1 Y10183 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 Y11519 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.44 CCC1=CNC(C(=O)OC)=C1 C15752 [0,2,0,0,0,0|2,0,0]=4 42 B11R1.44 COC(=O)C1=CC(CO)=CN1 D72120 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.44 COC(=O)C1=CC=C(C#N)N1 C77228 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.225 CC1=CN(C)N=C1C(=O)CBr C73972 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,0,1,1,0,0|2,0,0]=4 46 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [1,0,0,0,0,1|1,0,0]=3 47 B9R1.2 O=CC1=NC=CC(Cl)=N1 F19651 [1,0,0,0,0,1|2,0,0]=4 48 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [1,0,0,0,0,1|2,0,0]=4 49 B9R1.13 O=C(O)CC1=CN=CO1 AC2863 [1,0,0,0,0,1|2,0,0]=4