0 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 SBB088086 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 SBB007124 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 SBB053504 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 SBB087888 [0,1,0,0,0,0|1,1,0]=3 4 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 SBB077360 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.35 NC(CC1=CN=CN1)C(=O)O SBB003627 [0,0,1,0,0,0|1,0,2]=4 6 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SBB066404 [0,0,1,0,0,0|1,0,2]=4 7 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O SBB066461 [0,0,1,0,0,0|2,0,1]=4 8 B11R1.90 CN1N=CC=C1\C=C\C(=O)O SBB024520 [0,0,1,0,0,0|3,0,0]=4 9 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 SBB003927 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 O=C(O)C1=CC2=C(C=C1)SN=N2 SBB053282 [0,0,0,0,0,1|2,0,0]=3 11 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 SBB000134 [0,0,0,0,0,1|2,0,1]=4 12 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 SBB013632 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 SBB007390 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 SBB053276 [0,0,0,0,0,1|1,0,0]=2 15 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 SBB053277 [0,0,0,0,0,1|1,0,0]=2 16 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 SBB053507 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.430 O=C(O)C1CC2=C(CN1)N=CN2 SBB010481 [0,0,0,0,0,1|1,0,2]=4 18 B13R2.430 O=[N+]([O-])C1=CC=C2N=CSC2=C1 SBB067662 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.430 OC(=O)C1=CC2=C(C=C1)N=CN2 SBB006747 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.430 OC(=O)C1=CC2=C(C=C1)NC=C2 SBB003951 [0,0,0,0,0,1|2,0,1]=4 21 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 SBB003953 [0,0,0,0,0,1|2,0,0]=3 22 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SBB000137 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 SBB003763 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 SBB069687 [0,0,0,0,0,1|1,0,0]=2 25 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)S1 SBB089541 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 SBB106818 [0,0,0,0,0,1|1,0,0]=2 27 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 SBB069678 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 SBB010439 [0,0,0,0,0,1|2,0,1]=4 29 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 SBB053503 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 SBB019032 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.66 CC(=O)\C=C\C1=CC=CS1 SBB056771 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.66 O=C(O)\C=C\C1=CNC=N1 SBB006702 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.66 O=C(O)\C=C\C1=COC=C1 SBB004191 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.66 O=C(O)\C=C\C1=CSC=C1 SBB004033 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.66 OC(=O)\C=C\C1=CC=CO1 SBB004189 [1,0,1,0,0,0|1,1,0]=4 36 B10R1.66 OC(=O)\C=C\C1=CC=CS1 SBB004032 [1,0,1,0,0,0|1,0,0]=3 37 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SBB053087 [1,0,1,0,0,0|1,1,0]=4 38 B12R1.298 N#C\C(=C\C1=CC=CS1)C(=O)O SBB043436 [0,1,1,0,0,0|1,0,1]=4 39 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 SBB303379 [0,1,0,0,0,1|1,0,0]=3 40 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 SBB010888 [0,1,0,0,0,1|1,0,0]=3 41 B14R2.601 NC(=O)C1=CC=C2N=C(N)SC2=C1 SBB010889 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 SBB013125 [0,1,0,0,0,1|1,0,0]=3 43 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(S)=N2 SBB071837 [0,1,0,0,0,1|1,1,0]=4 44 B14R2.601 O=C(O)C1=CC=C2NC(S)=NC2=C1 SBB053280 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.601 OC(=O)C1=CC=C2C(=C1)N=C(C)N2 SBB005450 [0,1,0,0,0,1|2,0,0]=4 46 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 SBB038171 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.5719 CN1C=NC2=C1C=CC(C(=O)O)=C2 SBB013682 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.8824 NC1=CC(C(=O)O)=CC2=C1N=CN2 SBB013332 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SBB049025 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 SBB053272 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 SBB019443 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 SBB066632 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 SBB010573 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 SBB028490 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 SBB014280 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 SBB066616 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SBB017983 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 SBB048523 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 SBB069252 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 SBB010058 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.4529 OC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 SBB003591 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 SBB010575 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.7969 N1C(C(=O)O)=CC2=CC=CC(C)=C21 SBB019003 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 SBB010941 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 SBB048931 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 SBB047627 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 SBB054059 [0,2,0,0,0,0|1,0,0]=3 68 B10R1.23 NC(C(=O)O)C1=CC=CS1 SBB028327 [0,0,1,0,1,0|1,0,1]=4 69 B10R1.23 O=C(O)C(=O)C1=CC=CS1 SBB087149 [0,0,1,0,1,0|2,0,0]=4 70 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 SBB043435 [0,0,1,0,0,1|2,0,0]=4 71 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 SBB069699 [1,0,0,0,0,1|2,0,0]=4 72 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 SBB069689 [1,0,0,0,0,1|1,0,0]=3 73 B12R2.32 O=CC1=CC2=CC=CC=C2N1 SBB027648 [1,0,0,0,0,1|2,0,0]=4 74 B12R2.32 O=CC1=CC2=CC=CN=C2N1 SBB069694 [1,0,0,0,0,1|1,0,0]=3 75 B12R2.32 O=CC1=CC2=CC=NC=C2S1 SBB110472 [1,0,0,0,0,1|2,0,0]=4 76 B12R2.32 O=CC1=CC2=NC=CC=C2N1 SBB069680 [1,0,0,0,0,1|2,0,0]=4 77 B12R2.44 O=CC1=CC2=C(C=C1)SN=N2 SBB052329 [1,0,0,0,0,1|2,0,0]=4 78 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=N2 SBB000185 [0,0,0,0,0,2|2,0,0]=4 79 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 SBB003821 [0,0,0,0,0,2|2,0,0]=4 80 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 SBB041648 [0,0,0,0,0,2|2,0,0]=4 81 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=N2 SBB018539 [0,0,0,0,0,2|2,0,0]=4 82 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=N2 SBB053279 [0,0,0,0,0,2|1,1,0]=4 83 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 SBB053267 [0,0,0,0,0,2|2,0,0]=4