0 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [0,1,0,0,0,0|1,0,2]=4 9 B12R1.27 N\C(COC1=CC=CC=C1)=N/O FD-11E-002 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,1,0,0,0,0|1,0,2]=4 11 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,1,0,0,0,0|1,0,1]=3 12 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 ACI-01419 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 ACI-01604 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,0,0,1,0,0|2,0,1]=4 15 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.2403 CC1(C)CNC2=CC=CC=C21 ACI-02737 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,0,0,0,1,0|1,1,1]=4 18 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [1,1,0,0,0,0|0,0,2]=4 20 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 ACI-05929 [1,1,0,0,0,0|0,0,2]=4 21 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 ACI-05922 [1,1,0,0,0,0|0,0,2]=4 22 B11R1.1 OC\C=C\C1=CC=C(F)C=C1 ACI-05928 [1,1,0,0,0,0|0,0,2]=4 23 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [1,1,0,0,0,0|0,0,2]=4 24 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [1,1,0,0,0,0|0,0,2]=4 25 B11R1.24 CC1=CC(\C=C\CO)=CC=C1 ACI-05924 [1,1,0,0,0,0|0,0,2]=4 26 B11R1.24 CC1=CC=CC(CCCO)=N1 ACI-01649 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.24 OC\C=C\C1=CC=CC(Cl)=C1 ACI-05921 [1,1,0,0,0,0|0,0,2]=4 28 B11R1.24 OC\C=C\C1=CC=CC(F)=C1 ACI-05927 [1,1,0,0,0,0|0,0,2]=4 29 B11R1.28 N#CCOCC1=CC=CC=C1 ACI-04838 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05254 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05268 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,1,0,0,1,0|0,0,2]=4 36 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 ACI-04356 [0,1,0,0,0,1|1,0,1]=4 37 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 FD-11A-001 [0,1,0,0,0,1|1,0,1]=4 38 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 ACI-05249 [0,2,0,0,0,0|0,0,2]=4 39 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1F ACI-03934 [0,2,0,0,0,0|1,0,1]=4 40 B13R1.893 O=C(O)CCC1=C(Br)C=CC(F)=C1 ACI-02205 [0,2,0,0,0,0|1,0,1]=4 41 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [1,0,0,1,0,0|1,0,0]=3 42 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [1,0,0,1,0,0|1,0,0]=3 43 B11R2.239 C1=CC(C2CNC2)=CC=N1 ACI-02449 [1,0,0,1,0,0|2,0,0]=4 44 B11R2.239 C1=CN=C(C2CNC2)C=C1 ACI-02447 [1,0,0,1,0,0|2,0,0]=4 45 B11R2.239 C1=CN=CC(C2CNC2)=C1 ACI-02435 [1,0,0,1,0,0|2,0,0]=4 46 B13R2.527 FC1=CC=C(OCC2CO2)C=C1 ACI-00775 [0,1,0,1,0,0|1,0,0]=3 47 B13R2.57 N#CC1COC2=CC=CC=C2O1 ACI-00653 [0,1,0,1,0,0|1,0,1]=4 48 B13R2.57 NCC1COC2=CC=CC=C2O1 ACI-00652 [0,1,0,1,0,0|1,0,0]=3 49 B13R2.57 OCC1CNC2=CC=CC=C2O1 ACI-00554 [0,1,0,1,0,0|1,0,0]=3 50 B13R2.57 OCC1COC2=CC=CC=C2O1 ACI-01639 [0,1,0,1,0,0|1,0,0]=3 51 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 ACI-01123 [0,1,0,1,0,0|0,0,2]=4 52 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 ACI-01143 [0,1,0,1,0,0|1,0,1]=4 53 B13R2.222 CC1(C)NC2=CC=CC=C2CO1 SB-03H-004 [0,1,0,1,0,0|2,0,0]=4