0 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 YH59400 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 YH66687 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O YH66486 [0,0,1,0,0,0|1,0,2]=4 3 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O HL0599 [0,0,1,0,0,0|1,0,2]=4 4 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 YH36755 [0,0,0,0,0,1|1,1,0]=3 5 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 XJ2504 [0,0,0,0,0,1|1,0,0]=2 6 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 YH18117 [0,0,0,0,0,1|2,1,0]=4 7 B13R2.430 O=C(O)C1=CC=C2NN=NC2=C1 YH48553 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 OB(O)C1=CC2=C(C=C1)N=CS2 YH03556 [0,0,0,0,0,1|2,0,1]=4 9 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 LT0223 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 LT7666 [0,0,0,0,0,1|2,0,0]=3 11 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 LQ3050 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 LQ2295 [0,0,0,0,0,1|3,0,0]=4 13 B10R1.66 CC(=O)\C=C\C1=CC=CS1 XJ1445 [1,0,1,0,0,0|2,0,0]=4 14 B10R1.66 O=C(O)\C=C\C1=CC=CO1 YH06064 [1,0,1,0,0,0|1,1,0]=4 15 B10R1.31 O=CC1=CC=C(C(=O)O)S1 LX2585 [1,0,1,0,0,0|1,1,0]=4 16 B14R2.5998 O=C(O)C1=CNC2=C(SC=C2)C1=O YH94668 [0,1,0,0,0,1|1,0,0]=3 17 B14R2.24358 CN1C=NC2=C1C=C(C(=O)O)N=C2 RT4114 [0,1,0,0,0,1|1,0,1]=4 18 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 YH42095 [0,1,0,0,0,1|2,0,0]=4 19 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 LX3148 [0,1,0,0,0,1|2,0,0]=4 20 B14R2.4529 O=C(O)C1=CC2=C(N=CC(F)=C2)N1 YH95850 [0,1,0,0,0,1|1,0,0]=3 21 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 YH15827 [0,1,0,0,0,1|2,0,0]=4 22 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 LQ0753 [0,1,0,0,0,1|2,0,0]=4 23 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 LQ4251 [0,1,0,0,0,1|2,0,0]=4 24 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 LQ3971 [0,1,0,0,0,1|2,0,0]=4 25 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 LQ3975 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 LQ2361 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 YH38896 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 LQ0750 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 YH49154 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 YH38898 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 CJ2989 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.839 CCOC(=O)C1=CC2=C(C=CO2)N1 YH56539 [0,2,0,0,0,0|1,1,0]=4 33 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [0,0,1,0,0,1|2,0,0]=4 34 B12R1.43 O=C(O)C(=O)NC1=NC=CC=C1 RT4315 [0,0,1,0,0,1|2,0,0]=4 35 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 RT7777 [0,0,1,0,0,1|2,0,0]=4 36 B12R1.125 NC1=NC=CC=C1\C=C\C(=O)O HL4608 [0,0,1,0,0,1|1,0,0]=3 37 B12R2.44 O=CC1=CC=C2SC=CC2=C1 LT0722 [1,0,0,0,0,1|2,0,0]=4 38 B12R2.44 OCC1=CC2=C(C=C1)SC=N2 YH58949 [1,0,0,0,0,1|1,0,1]=4 39 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 JZ3036 [0,0,0,0,0,2|2,0,0]=4 40 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 JZ4398 [0,0,0,0,0,2|2,0,0]=4 41 B14R2.781 O=C(O)C1=CC=C2C=CN=CC2=C1 LX2630 [0,0,0,0,0,2|2,0,0]=4 42 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 YH23510 [0,0,0,0,0,2|2,0,0]=4 43 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 LT1024 [0,0,0,0,0,2|2,0,0]=4