0 B11R1.279 COC1=CC=C(NN)C(C)=C1 ACI-04726 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.279 COC1=CC=C(OC)C(Cl)=C1 ACI-04697 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.3 N#CC1=CC=C(C=O)N=C1 ACI-04981 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.3 O=CC1=CC=C(CBr)C=C1 ACI-02372 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.25 CC1=CC=C(C#N)C(O)=N1 ACI-NI-00169 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.25 CC1=CC=C(CO)C(O)=N1 JM-12C-003 [1,0,0,0,0,0|1,0,2]=4 6 B12R1.301 COC1=CC(Cl)=C(C=O)C(Cl)=C1 ACI-04729 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.450 COC1=CC(O)=C(OC)C=C1Cl ACI-04696 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.452 CSC1=CC=C(C(C)=O)C(Cl)=C1 ACI-01609 [0,1,0,0,0,0|1,1,0]=3 9 B12R1.653 COC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05534 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.653 COC1=C(F)C(F)=C(C=O)C=C1 ACI-05527 [0,1,0,0,0,0|1,0,0]=2 11 B12R2.44 COC1=CC2=C(C=C1)OC=C2 ACI-05786 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.1 COC1=CC=[N+]([O-])C=C1 WS-03E-001 [2,0,0,0,0,0|1,0,1]=4 13 B9R1.1 O=CC1=CC=C(Br)C=N1 ACI-04980 [2,0,0,0,0,0|2,0,0]=4 14 B9R1.15 CNC1=CC=CC=C1O ACI-05339 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.15 NCC1=CC=CC=C1O ACI-02209 [2,0,0,0,0,0|1,0,1]=4 16 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.69 CC1=CC(Br)=C(S)C=C1 ACI-02406 [2,0,0,0,0,0|1,1,0]=4 19 B9R1.69 CC1=CC=C(N)C(S)=C1 ACI-04795 [2,0,0,0,0,0|1,1,0]=4 20 B9R1.69 NC1=C(O)C=CC(O)=C1 ACI-06428 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.2 COC1=CC(Br)=CN=C1 ACI-05645 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.3 COC1=CC=C(C(=N)N)C=C1 ACI-NI-00262 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.3 COC1=CC=C(C(N)=S)C=C1 ACI-NI-00263 [1,1,0,0,0,0|0,1,0]=3 24 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 ACI-05253 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.83 CNCC1=CC=C(OC)C=C1 WS-05I-015 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.83 COC1=CC=C(\C=N\O)C=C1 ACI-01782 [1,1,0,0,0,0|0,0,1]=3 27 B11R1.166 CC1=C(C(=O)Cl)C=CC(Br)=C1 ACI-03965 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.166 CC1=CC=C(C(=O)Cl)C(Br)=C1 ACI-01767 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.166 CC1=CC=C(C(N)=O)C(Br)=C1 ACI-05403 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 WS-03K-001 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 ACI-03956 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl ACI-05399 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 ACI-03966 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.166 O=C(Cl)C1=CC=C(Br)C=C1Cl ACI-01735 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl ACI-00424 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.278 CC1=C(Cl)C(F)=C(C=O)C=C1 ACI-05529 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.280 COC1=CC(NN)=C(Cl)C=C1 FD-10E-005 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.38 CS(=O)(=O)C1=CC=C(C=O)C(Cl)=C1 ACI-02021 [0,2,0,0,0,0|1,1,0]=4 41 B13R1.120 O=C(O)C1=CC=C(C(=O)O)C(O)=C1 JM-05G-001 [0,2,0,0,0,0|2,0,0]=4 42 B13R1.3088 COC(=O)C1=CC(O)=C(CO)C=C1 JM-05H-001 [0,2,0,0,0,0|0,0,2]=4 43 B13R1.95 COC(=O)C1=CC=C(OC)C=C1O ACI-05672 [0,2,0,0,0,0|0,0,0]=2 44 B13R1.95 COC1=CC=C(C(=O)NO)C(O)=C1 ACI-05692 [0,2,0,0,0,0|0,0,0]=2 45 B13R1.653 COC1=CC=C(NC(C)=O)C(N)=C1 JM-03A-001 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.35 CC(C)OC1=CC(F)=C(C=O)C=C1 ACI-05334 [0,2,0,0,0,0|1,0,0]=3 47 B13R2.2130 COC1=CC=C2C(=C1)ON=C2O ACI-05652 [0,1,0,1,0,0|0,0,1]=3