0 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 3672534 [0,1,0,0,0,0|2,0,0]=3 1 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 3672526 [0,1,0,0,0,0|2,0,0]=3 2 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 3760314 [0,1,0,0,0,0|2,0,0]=3 3 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Cl)=CS2 11639227 [0,1,0,0,0,0|2,0,0]=3 4 B11R1.35 C\C(=C/C1=CC=CS1)C(=O)O 1048338 [0,0,1,0,0,0|1,0,1]=3 5 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 7118560535 [0,0,0,0,0,1|3,0,0]=4 6 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 1312833 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 2823077 [0,0,0,0,0,1|2,0,0]=3 8 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 1232732 [0,0,0,0,0,1|3,0,0]=4 9 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 1357211 [0,0,0,0,0,1|2,1,0]=4 10 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 1090351 [0,0,0,0,0,1|2,0,0]=3 11 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 2204901 [0,0,0,0,0,1|2,0,0]=3 12 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 7014211630 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 1023215 [0,0,0,0,0,1|2,1,0]=4 14 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 1178898 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 7013890553 [0,0,0,0,0,1|1,0,0]=2 16 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 6314184 [0,0,0,0,0,1|1,0,0]=2 17 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)S1 4040551 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.66 O=C(O)CCC1=CC=CS1 7020400395 [1,0,1,0,0,0|1,0,1]=4 19 B10R1.66 O=C(O)\C=C\C1=CC=CN1 3666577 [1,0,1,0,0,0|2,0,0]=4 20 B10R1.66 O=C(O)\C=C\C1=CC=CS1 7214931917 [1,0,1,0,0,0|1,0,0]=3 21 B10R1.66 O=C(O)\C=C\C1=CSC=C1 5899674 [1,0,1,0,0,0|0,0,0]=2 22 B10R1.31 O=CC1=CC=C(C(=O)O)O1 1888489 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.31 O=CC1=CNC(C(=O)O)=C1 3666900 [1,0,1,0,0,0|0,1,0]=3 24 B12R1.108 COC(=O)\C(O)=C\C1=CC=CS1 1368343 [0,1,1,0,0,0|2,0,0]=4 25 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)S1 1313242 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 5012876 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.966 COC(=O)C1=CC=C2C=CNC2=C1 5005298 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CC=C21 2205044 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.5998 O=C(O)C1=CN=C2SC=CN2C1=O 7110950778 [0,1,0,0,0,1|1,0,1]=4 30 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 3460169 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 7216516554 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 1232893 [0,1,0,0,0,1|1,0,0]=3 33 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 3683167 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 2847445 [0,1,0,0,0,1|1,0,0]=3 35 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 1178906 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 3691051 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 3691053 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 4748870 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 1178931 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 1056235 [0,1,0,0,0,1|1,0,0]=3 41 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 1149684 [0,1,0,0,0,1|1,0,0]=3 42 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2O1 3929822 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 4748871 [0,1,0,0,0,1|2,0,0]=4 44 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)O1 3929823 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 1149678 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 3691052 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 3691050 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 1149681 [0,1,0,0,0,1|1,0,0]=3 49 B14R2.1194 O=CC1=CC2=C(C=C(C(=O)O)N2)O1 7135571 [0,2,0,0,0,0|2,0,0]=4 50 B14R2.10815 COC(=O)C1=CC2=C(C=C(C)O2)N1 11639087 [0,2,0,0,0,0|2,0,0]=4 51 B14R2.10637 COC(=O)C1=CC2=C(N1)C(Cl)=CS2 11639228 [0,2,0,0,0,0|2,0,0]=4 52 B14R2.4281 CCN1C(C(=O)O)=CC2=C1C=CO2 3677142 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.4281 CCN1C(C(=O)O)=CC2=C1C=CS2 5006229 [0,2,0,0,0,0|2,0,0]=4 54 B12R2.1362 O=C(O)C1=NN=C2SC=CN21 2102206 [0,0,1,1,0,0|2,0,0]=4 55 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 1048342 [0,0,1,0,0,1|2,0,0]=4 56 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 1129961 [0,0,1,0,0,1|2,0,0]=4 57 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 1512399 [0,0,1,0,0,1|2,0,0]=4 58 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 0125160239 [0,0,1,0,0,1|2,0,0]=4 59 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 7020400348 [0,0,1,0,0,1|2,0,0]=4 60 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 0125160265 [0,0,1,0,0,1|1,0,0]=3 61 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 7017655176 [0,0,1,0,0,1|2,0,0]=4 62 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 1512411 [0,0,1,0,0,1|2,0,0]=4 63 B12R2.32 O=CC1=CC2=CC=CC=C2O1 1178897 [1,0,0,0,0,1|2,0,0]=4 64 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 2819399 [1,0,0,0,0,1|2,0,0]=4 65 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 3668096 [1,0,0,0,0,1|2,0,0]=4 66 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 2845130 [0,0,0,0,0,2|2,0,0]=4 67 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 1156697 [0,0,0,0,0,2|2,0,0]=4 68 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=N1 1780792 [0,0,0,0,0,2|1,0,1]=4 69 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 7017520065 [0,0,0,0,0,2|1,0,1]=4 70 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 1576163 [0,0,0,0,0,2|1,0,1]=4 71 B14R2.1008 O=C(O)CC1=CC=C2C=CNC2=C1 4045072 [0,0,0,0,0,2|2,0,0]=4 72 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 1149690 [0,0,0,0,0,2|1,0,0]=3 73 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 1178789 [0,0,0,0,0,2|2,0,0]=4 74 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 7118560794 [0,0,0,0,0,2|2,0,0]=4