0 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 YH59400 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 YH66687 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O YH66486 [0,0,1,0,0,0|0,0,2]=3 3 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O JZ1069 [0,0,1,0,0,0|2,0,1]=4 4 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O JZ1102 [0,0,1,0,0,0|2,0,1]=4 5 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 YH36755 [0,0,0,0,0,1|2,1,0]=4 6 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 XJ2504 [0,0,0,0,0,1|2,0,0]=3 7 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 YH18117 [0,0,0,0,0,1|1,1,0]=3 8 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 LT7902 [0,0,0,0,0,1|3,0,0]=4 9 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 HL4170 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)SC=C2 YH03405 [0,0,0,0,0,1|2,0,1]=4 11 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 LT0223 [0,0,0,0,0,1|2,0,0]=3 12 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 RT13045 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)S1 LQ3051 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 LT7666 [0,0,0,0,0,1|1,0,0]=2 15 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 LQ3050 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 LQ2295 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 YH46495 [0,0,0,0,0,1|2,0,1]=4 18 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 LT7628 [0,0,0,0,0,1|1,0,2]=4 19 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 YH18775 [0,0,0,0,0,1|1,0,2]=4 20 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 LT5799 [0,0,0,0,0,1|1,0,2]=4 21 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CJ2982 [0,0,0,0,0,1|1,0,2]=4 22 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 YH98669 [0,0,0,0,0,1|1,0,2]=4 23 B13R2.435 OB(O)C1=CC2=CC=CC=C2N1 YH34760 [0,0,0,0,0,1|2,0,1]=4 24 B10R1.66 CC(=O)\C=C/C1=CC=CO1 HL3203 [1,0,1,0,0,0|1,1,0]=4 25 B10R1.66 CC(=O)\C=C\C1=CC=CS1 XJ1445 [1,0,1,0,0,0|1,0,0]=3 26 B10R1.66 O=C(O)CCC1=CC=CS1 LQ2957 [1,0,1,0,0,0|0,0,2]=4 27 B10R1.66 O=C(O)\C=C\C1=CC=CO1 YH06064 [1,0,1,0,0,0|0,1,0]=3 28 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 LT0744 [1,0,1,0,0,0|1,0,1]=4 29 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 XJ1446 [1,0,1,0,0,0|1,0,1]=4 30 B10R1.31 O=CC1=CC=C(C(=O)O)S1 LX2585 [1,0,1,0,0,0|1,1,0]=4 31 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 XJ5568 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.966 COC(=O)C1=CC=C2NC=CC2=C1 HL0620 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 YH21008 [0,1,0,0,0,1|1,0,1]=4 34 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CC=C21 YH42351 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1Cl YH65944 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.5998 O=C(O)C1=CNC2=C(SC=C2)C1=O YH94668 [0,1,0,0,0,1|0,0,0]=2 37 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 LQ4422 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 YH45117 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 LT6429 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 YH42095 [0,1,0,0,0,1|1,0,0]=3 41 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 LX3148 [0,1,0,0,0,1|1,0,0]=3 42 B14R2.4529 O=C(O)C1=CC2=C(N=CC(F)=C2)N1 YH95850 [0,1,0,0,0,1|1,0,0]=3 43 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 YH15827 [0,1,0,0,0,1|1,0,0]=3 44 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 LQ0753 [0,1,0,0,0,1|1,0,0]=3 45 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 LQ4251 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 LQ3971 [0,1,0,0,0,1|1,0,0]=3 47 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 LQ3975 [0,1,0,0,0,1|1,0,0]=3 48 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 LQ2361 [0,1,0,0,0,1|1,0,0]=3 49 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2S1 YH66429 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 YH38896 [0,1,0,0,0,1|1,0,0]=3 51 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)S1 CJ3368 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 LQ0750 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 YH49154 [0,1,0,0,0,1|1,0,0]=3 54 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 YH48663 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 YH38898 [0,1,0,0,0,1|1,0,0]=3 56 B14R2.7969 O=C(O)C1=CC2=CC=CC(O)=C2N1 CJ2989 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.839 CCOC(=O)C1=CC2=C(C=CO2)N1 YH56539 [0,2,0,0,0,0|0,1,0]=3 58 B12R2.1384 O=C(O)C1=CC=C2C=CC2=C1 LX2808 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.23 NC(C(=O)O)C1=CSC=C1 YH58218 [0,0,1,0,1,0|1,0,1]=4 60 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [0,0,1,0,0,1|2,0,0]=4 61 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [0,0,1,0,0,1|2,0,0]=4 62 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [0,0,1,0,0,1|1,0,0]=3 63 B12R1.43 O=C(O)C(=O)NC1=NC=CC=C1 RT4315 [0,0,1,0,0,1|2,0,0]=4 64 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 LQ0738 [0,0,1,0,0,1|2,0,0]=4 65 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 RT7777 [0,0,1,0,0,1|2,0,0]=4 66 B12R1.125 NC1=NC=CC=C1\C=C\C(=O)O HL4608 [0,0,1,0,0,1|1,0,0]=3 67 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br RT6378 [0,0,1,0,0,1|2,0,0]=4 68 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HL0187 [0,0,1,0,0,1|2,0,0]=4 69 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O XJ1000 [0,0,1,0,0,1|2,0,0]=4 70 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 XJ5126 [0,0,1,0,0,1|2,0,0]=4 71 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 HL1833 [0,0,1,0,0,1|2,0,0]=4 72 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 JZ5420 [0,0,1,0,0,1|2,0,0]=4 73 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 YH35497 [0,0,1,0,0,1|2,0,0]=4 74 B12R2.32 O=CC1=CC2=CC=CC=C2S1 JZ2317 [1,0,0,0,0,1|2,0,0]=4 75 B12R2.32 OCC1=CC2=CC=CC=C2N1 YH49153 [1,0,0,0,0,1|1,0,1]=4 76 B12R2.44 C(=O)C1=CC=C2C=CNC2=C1 LT7615 [1,0,0,0,0,1|2,0,0]=4 77 B12R2.44 O=CC1=CC=C2SC=CC2=C1 LT0722 [1,0,0,0,0,1|1,0,0]=3 78 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 LT6601 [0,0,0,0,0,2|2,0,0]=4 79 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 LT0868 [0,0,0,0,0,2|1,0,1]=4 80 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 YH45358 [0,0,0,0,0,2|1,0,1]=4 81 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 JZ3036 [0,0,0,0,0,2|2,0,0]=4 82 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 JZ4398 [0,0,0,0,0,2|2,0,0]=4 83 B14R2.781 O=C(O)C1=CC=C2C=CN=CC2=C1 LX2630 [0,0,0,0,0,2|2,0,0]=4 84 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 YH23510 [0,0,0,0,0,2|2,0,0]=4 85 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 LT1024 [0,0,0,0,0,2|2,0,0]=4 86 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 YH03522 [0,0,0,0,0,2|1,0,1]=4 87 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 LL2564 [0,0,0,0,0,2|1,0,1]=4