0 B14R2.256 CC1=C(C2=CSC(N)=N2)C=CC=C1 T52340 [0,0,0,0,0,0|0,1,2]=3 1 B14R2.256 CC1=C(C2=NC(Br)=CN2)C=CC=C1 B66018 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.256 CC1=C(C2=NN=C(N)S2)C=CC=C1 T51741 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.256 NC1=CC(C2=C(O)C=CC=C2)=NO1 A51378 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.256 NC1=NC(C2=C(Br)C=CC=C2)=CS1 B64053 [0,0,0,0,0,0|1,1,2]=4 5 B14R2.256 NC1=NC(C2=C(Cl)C=CC=C2)=CS1 C51090 [0,0,0,0,0,0|1,1,2]=4 6 B14R2.256 O=C1CC[C@H](C2=C(F)C=CC=C2)C1 F37688 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 B47610 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 A51351 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 P9980 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 P48864 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [1,0,0,0,0,0|1,1,1]=4 14 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 P61590 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P51871 [1,0,0,0,0,0|1,1,1]=4 16 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P16573 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.18 CC1=C(N2C=CC=N2)C=CC=C1 T52274 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 A52969 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.201 CC1=C([C@H](N)CC(=O)O)C=CC=C1 A52963 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [1,0,1,0,0,0|0,0,2]=4 23 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [1,0,1,0,0,0|0,0,2]=4 24 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 M52804 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [1,0,1,0,0,0|1,0,1]=4 27 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 P51158 [2,0,0,0,0,0|0,0,2]=4 28 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,0,1,0,1,0|2,0,0]=4 29 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,0,1,0,1,0|2,0,0]=4 30 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [0,0,1,0,1,0|1,0,0]=3 31 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [0,0,1,0,1,0|2,0,0]=4 32 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [0,0,1,0,1,0|2,0,0]=4 33 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [0,0,1,0,1,0|2,0,0]=4 34 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [0,0,1,0,1,0|2,0,0]=4 35 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [1,0,0,0,1,0|1,0,1]=4 36 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [1,0,0,0,1,0|1,0,1]=4 37 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [1,0,0,0,1,0|2,0,0]=4 38 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [1,0,0,0,1,0|2,0,0]=4 39 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 P52557 [1,0,0,0,0,1|1,0,1]=4 40 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P19914 [1,0,0,0,0,1|1,0,1]=4 41 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P54109 [1,0,0,0,0,1|1,0,1]=4