0 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 ACI-04772 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.27 N\C(COC1=CC=CC=C1)=N/O FD-11E-002 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ACI-01372 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 ACI-05249 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 JM-14I-001 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 ACI-04770 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 ACI-04771 [0,1,0,0,0,0|0,0,2]=3 12 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)N=C1 ACI-04775 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.15 COC(=O)CSC1=NC(O)=CC=N1 ACI-00080 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 ACI-01784 [0,1,0,0,0,0|1,0,0]=2 15 B13R2.32 CN1C(=O)COC2=CC=CC=C21 ACI-02214 [0,0,0,1,0,0|2,0,0]=3 16 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 ACI-02207 [0,0,0,1,0,0|2,0,0]=3 17 B11R1.25 COC(=O)\C=C\C1=CSC=C1 ACI-04773 [0,0,0,0,1,0|1,0,2]=4 18 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 ACI-01232 [1,1,0,0,0,0|0,0,2]=4 25 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 ACI-05916 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 ACI-05909 [1,1,0,0,0,0|0,0,2]=4 28 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 ACI-05915 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [1,1,0,0,0,0|0,0,1]=3 30 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 ACI-03857 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 ACI-01419 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl ACI-00859 [1,1,0,0,0,0|0,0,2]=4 34 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O ACI-05912 [1,1,0,0,0,0|0,0,2]=4 35 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F ACI-05913 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.226 CC(=O)\C=C\C1=CC(Br)=CC=C1 ACI-00860 [1,1,0,0,0,0|0,0,2]=4 37 B12R1.226 CC(=O)\C=C\C1=CC(Cl)=CC=C1 ACI-01676 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 ACI-05911 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 ACI-01604 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 ACI-05908 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 ACI-05914 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.371 COC(=O)CC1=CC=CC=C1Br ACI-01581 [0,1,0,0,1,0|0,0,0]=2 43 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 ACI-01556 [0,1,0,0,0,1|0,0,0]=2 44 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 ACI-01062 [0,2,0,0,0,0|0,0,0]=2 45 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 WS-05H-097 [0,2,0,0,0,0|0,0,0]=2 46 B14R1.29 CCOC(=O)\C=C(/N)C1=CC=CC=C1 ACI-01681 [0,2,0,0,0,0|0,0,2]=4 47 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 ACI-05903 [0,2,0,0,0,0|0,0,2]=4 48 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 ACI-05897 [0,2,0,0,0,0|0,0,2]=4 49 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 ACI-05896 [0,2,0,0,0,0|0,0,2]=4 50 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 ACI-05902 [0,2,0,0,0,0|0,0,2]=4 51 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(C)=C1 ACI-05898 [0,2,0,0,0,0|0,0,2]=4 52 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Cl)=C1 ACI-05895 [0,2,0,0,0,0|0,0,2]=4 53 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(F)=C1 ACI-05901 [0,2,0,0,0,0|0,0,2]=4 54 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1C ACI-05899 [0,2,0,0,0,0|0,0,2]=4 55 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1F ACI-05900 [0,2,0,0,0,0|0,0,2]=4 56 B12R2.41 C1=CC=C2CCNCCC2=C1 JL-11F-003 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [1,0,0,1,0,0|1,0,0]=3 58 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [1,0,0,1,0,0|1,0,0]=3 60 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,0,0,1,1,0|1,0,0]=3 61 B12R2.32 COC1=NC2=CC=CC=C2N1 ACI-06429 [0,0,0,1,1,0|2,0,0]=4 62 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 WS-05I-014 [0,0,0,1,0,1|2,0,0]=4 63 B14R2.95 COC(=O)C1=COC2=C1C=CC=C2 ACI-01511 [0,0,0,1,0,1|0,0,2]=4 64 B14R2.4513 CN1C(=O)CCC2=C1C=C(F)C=C2 ACI-06359 [0,1,0,1,0,0|1,0,0]=3 65 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 ACI-02184 [0,1,0,1,0,0|0,0,2]=4 66 B14R2.8038 CN1C(=O)CCC2=C1C=CC=C2Cl ACI-06370 [0,1,0,1,0,0|1,0,0]=3 67 B14R2.8038 CN1C(=O)CCC2=C1C=CC=C2F ACI-06366 [0,1,0,1,0,0|1,0,0]=3 68 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,0,0,0,1,0|1,1,0]=4 69 B10R1.66 O=C(O)CCC1=CNC=N1 ACI-01113 [1,0,0,0,1,0|2,0,0]=4 70 B10R1.66 O=C(O)CCC1=CNC=N1 ACI-02713 [1,0,0,0,1,0|2,0,0]=4 71 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,0,0,0,2,0|1,0,0]=3 72 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,0,0,0,2,0|2,0,0]=4 73 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,0,0,0,2,0|2,0,0]=4