0 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [0,1,0,0,0,0|1,0,2]=4 6 B12R2.18 CC1=NN2C=CC=CC2=C1N 89915 [0,0,0,1,0,0|3,0,0]=4 7 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O C14907 [0,0,0,1,0,0|3,0,0]=4 8 B12R2.18 [2H]C1=CC2=C(C=CC=C2)N1C AC6975 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.24 BrC1=CC2=CC=NC=C2N=C1 F53460 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.24 IC1=CC2=NC=CC=C2C=C1 F13952 [0,0,0,1,0,0|3,0,0]=4 11 B12R2.24 OC1=CC2=NC=CC=C2N=C1 F53687 [0,0,0,1,0,0|3,0,0]=4 12 B12R2.24 [2H]C1=CC2=CC=CC=C2N=C1 AC4553 [0,0,0,1,0,0|2,0,0]=3 13 B12R2.24 [2H]C1=CC=C2C=CC=NC2=C1 AC4557 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 [2H]C1=CC=C2N=CC=CC2=C1 AC4556 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.24 [2H]C1=NC2=CC=CC=C2C=C1 AC4552 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.32 C#CC1=CC2=C(C=CC=C2)N1 AT21565 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 AT21739 [0,0,0,1,0,0|2,0,0]=3 18 B12R2.32 O=CC1=CC2=CN=CN=C2S1 D72791 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.32 O=CC1=CN2N=CC=CC2=C1 98463 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [0,0,0,0,1,0|1,0,2]=4 21 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.8 I\C=C/C1=CC=CC=C1 AT23642 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.1 CC1=CC=C(OCC=O)C=C1 H11068 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.17 O=CCOC1=C(Cl)C=CC=C1 H11067 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 D74339 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.86 CC(=O)NC1=CC=CNC1=O D74338 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.157 CC(=O)CC1=CC(N)=CC=C1 D75584 [1,1,0,0,0,0|0,0,1]=3 28 B11R1.12 NC\C(=C\Cl)C1=CC=CC=C1 42349 [0,1,0,0,1,0|1,0,0]=3 29 B11R1.222 C=CC(=O)C1=C(F)C=CC=C1 F13144 [0,1,0,0,1,0|2,0,0]=4 30 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O D85994 [0,1,0,0,0,1|0,0,2]=4 31 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 D76053 [0,1,0,0,0,1|1,0,1]=4 32 B13R1.148 CC1=CC=CC(CC(=O)C(=O)O)=C1 C92166 [0,2,0,0,0,0|1,0,1]=4 33 B13R1.202 CC1=C(CC(=O)C(=O)O)C=CC=C1 C92179 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.202 O=C(O)C(=O)CC1=C(F)C=CC=C1 C91157 [0,2,0,0,0,0|1,0,1]=4 35 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 W18645 [0,2,0,0,0,0|0,0,2]=4 36 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O D78560 [0,2,0,0,0,0|0,0,2]=4 37 B11R2.1 O=C1NC=C2C=CC=CN12 D72553 [1,0,0,1,0,0|2,0,0]=4 38 B11R2.15 O=CC1=CC2=C(C=CS2)N1 AT18505 [0,0,0,1,1,0|2,0,0]=4 39 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)N1 D72456 [0,0,0,1,0,1|2,0,0]=4 40 B13R2.10 CC1=CN=C(C2=CC=CC=C2)S1 D75263 [0,0,0,1,0,1|1,0,0]=3 41 B13R2.10 OC1=CN(C2=CC=CC=C2)N=C1 AT11998 [0,0,0,1,0,1|2,0,0]=4 42 B13R2.32 CC1=C(I)C2=CC=NC=C2C=C1 AT16422 [0,0,0,1,0,1|2,0,0]=4 43 B13R2.32 CC1=[N+]([O-])C2=CC=CC=C2N=C1 AC9519 [0,0,0,1,0,1|1,0,1]=4 44 B13R2.32 NC1=NC=C2C=CC=CN2C1=O AT25695 [0,0,0,1,0,1|2,0,0]=4 45 B13R2.57 O=CC1=CC2=NC=CC=C2N=C1 N10034 [0,0,0,1,0,1|1,0,1]=4 46 B13R2.31 O=C1C[C@H](SC2=CC=CC=C2)N1 P12916 [0,1,0,1,0,0|1,0,1]=4 47 B13R2.135 O=CC1=C(Cl)OC2=C1C=CC=C2 D86126 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.328 CC1=CC(O)=CC2=CC=CC=C12 AT25263 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)S1 D74313 [0,1,0,1,0,0|2,0,0]=4 50 B13R2.45 O=CC1=C(I)C2=C(C=CC=C2)N1 W19263 [0,1,0,1,0,0|1,0,0]=3 51 B13R2.359 O=S1(=O)C(Br)=CC2=C1C=CC=C2 D74053 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.369 CC1=CC2=CC=CC=C2C=C1N D88160 [0,1,0,1,0,0|1,0,0]=3 53 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O AC9491 [0,1,0,1,0,0|1,0,0]=3 54 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 AT10245 [0,1,0,1,0,0|0,0,2]=4 55 B13R2.43 O=CC1=CC2=CC(Cl)=NC=C2N1 D78883 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.43 O=CC1=CC2=CC(Cl)=NC=C2S1 AT10712 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.3028 O=C1SC2=C(C=C(Cl)C=C2)C1=O AT25623 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.3683 FC1=CN=C2C=C(Cl)C=CC2=C1 AT16383 [0,1,0,1,0,0|2,0,0]=4 59 B13R2.54 O=CC1=CC2=C(C=CNC2=O)S1 AT16641 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.54 O=CC1=CC2=CN=CC(F)=C2N1 P20168 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.155 CC1=CC=C2C=CC(N)=NC2=C1 98094 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 AT13264 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.155 CC1=NC=C2C=CC(Br)=CC2=C1 D79825 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=C1 AT10621 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.5179 CC1=C2C=CC(O)=CC2=CC=C1 N14584 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.5179 CC1=CC2=CC=CC(N)=C2C=N1 W18629 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.5179 FC1=CC=C2C(Br)=CC=CC2=C1 AT23038 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 AT23037 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.5179 NC1=C2C=CC(F)=CC2=CC=C1 F53478 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.5179 NC1=CC=C2C(Br)=CC=CC2=C1 AT10620 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.162 BrC1=C2C=C(I)C=NC2=CC=C1 80413 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.162 NC1=CC=C2C=CC=C(O)C2=C1 N14312 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.162 OC1=CN=C2C=CC=C(Br)C2=C1 D76867 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,1,0|1,0,0]=3 75 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,1,0|1,0,0]=3