0 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 3672534 [0,1,0,0,0,0|1,1,0]=3 1 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 3672526 [0,1,0,0,0,0|1,1,0]=3 2 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 3760314 [0,1,0,0,0,0|1,0,0]=2 3 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Cl)=CS2 11639227 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.35 C\C(=C/C1=CC=CS1)C(=O)O 1048338 [0,0,1,0,0,0|2,0,0]=3 5 B11R1.35 NC(CC1=CN=CN1)C(=O)O 22430441 [0,0,1,0,0,0|1,0,2]=4 6 B11R1.35 NC(CC1=CN=CN1)C(=O)O 3585878 [0,0,1,0,0,0|1,0,2]=4 7 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 7118560535 [0,0,0,0,0,1|2,0,0]=3 8 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 2823077 [0,0,0,0,0,1|2,0,1]=4 9 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 1357211 [0,0,0,0,0,1|1,1,0]=3 10 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 1090351 [0,0,0,0,0,1|1,0,0]=2 11 B13R2.430 O=C(O)C1=CC=C2N=NNC2=C1 2223204 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 2204901 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 7014211630 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.430 O=C(O)C1=CC=C2NN=NC2=C1 7117850639 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 1023215 [0,0,0,0,0,1|1,1,0]=3 16 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 7013890553 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 6314184 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)S1 4040551 [0,0,0,0,0,1|2,0,0]=3 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|2,0,0]=4 22 B10R1.31 O=CC1=CC=C(C(=O)O)O1 1888489 [1,0,1,0,0,0|1,1,0]=4 23 B10R1.31 O=CC1=CNC(C(=O)O)=C1 3666900 [1,0,1,0,0,0|1,0,0]=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 CC(=O)C1=CC=C2N=C(N)SC2=C1 1312740 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)S1 1313242 [0,1,0,0,0,1|1,0,0]=3 27 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2N1 4195096 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.601 NC1=NC2=CC=C(C(=O)[O-])C=C2S1 7119870147 [0,1,0,0,0,1|1,0,1]=4 29 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 5106779 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 7118560458 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 1232893 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 3683167 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 2847445 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 1056235 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 1149684 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 1149678 [0,1,0,0,0,1|2,0,0]=4 37 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 1149681 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.7969 O=C(O)C1=CC2=NC=NC(Cl)=C2S1 9078757 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.1194 O=CC1=CC2=C(C=C(C(=O)O)N2)O1 7135571 [0,2,0,0,0,0|1,1,0]=4 40 B14R2.10815 COC(=O)C1=CC2=C(C=C(C)O2)N1 11639087 [0,2,0,0,0,0|1,1,0]=4 41 B14R2.10637 COC(=O)C1=CC2=C(N1)C(Cl)=CS2 11639228 [0,2,0,0,0,0|1,0,0]=3 42 B14R2.4281 CCN1C(C(=O)O)=CC2=C1C=CO2 3677142 [0,2,0,0,0,0|1,1,0]=4 43 B14R2.4281 CCN1C(C(=O)O)=CC2=C1C=CS2 5006229 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 1129961 [0,0,1,0,0,1|2,0,0]=4 45 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 0125160265 [0,0,1,0,0,1|2,0,0]=4 46 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=N1 7017520065 [0,0,0,0,0,2|1,0,1]=4 47 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 1149690 [0,0,0,0,0,2|2,0,0]=4