0 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 ACI-01543 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.28 N#CCOCC1=CC=CC=C1 ACI-04838 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05254 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05268 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 ACI-04356 [0,1,0,0,0,0|1,0,0]=2 6 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 FD-11A-001 [0,1,0,0,0,0|1,0,0]=2 7 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 RH-07G-001 [0,0,0,1,0,0|1,0,2]=4 8 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 JM-05C-001 [0,0,0,1,0,0|1,0,2]=4 9 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,0,0,0,1,0|2,0,0]=3 10 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,0,0,0,1,0|3,0,0]=4 11 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [0,0,0,0,1,0|2,0,0]=3 14 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ACI-01372 [0,0,0,0,1,0|1,0,2]=4 15 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [0,1,0,0,1,0|2,0,0]=4 19 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [0,1,0,0,1,0|0,0,2]=4 20 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 ACI-05916 [0,1,0,0,1,0|0,0,2]=4 21 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 ACI-05909 [0,1,0,0,1,0|0,0,2]=4 22 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 ACI-05915 [0,1,0,0,1,0|0,0,2]=4 23 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,1,0,0,1,0|0,0,1]=3 24 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 ACI-03857 [0,1,0,0,1,0|0,0,2]=4 25 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,1,0,0,1,0|0,0,0]=2 26 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 ACI-01419 [0,1,0,0,1,0|1,0,0]=3 27 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O ACI-05912 [0,1,0,0,1,0|0,0,2]=4 28 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F ACI-05913 [0,1,0,0,1,0|0,0,2]=4 29 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 ACI-05911 [0,1,0,0,1,0|0,0,2]=4 30 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 ACI-01604 [0,1,0,0,1,0|1,0,0]=3 31 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 ACI-05908 [0,1,0,0,1,0|0,0,2]=4 32 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 ACI-05914 [0,1,0,0,1,0|0,0,2]=4 33 B14R1.698 O=C(O)CC(=O)NC1=CC=C(Br)C=C1 ACI-04873 [0,2,0,0,0,0|1,0,1]=4 34 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 ACI-01556 [0,2,0,0,0,0|1,0,0]=3 35 B12R2.1081 S=C1NCCC2=CC=CC=C12 FD-10F-003 [1,0,0,1,0,0|1,1,0]=4 36 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,0,0,1,1,0|1,0,0]=3 37 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,0,0,1,1,0|2,0,0]=4 38 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,0,1,1,0|1,0,0]=3 39 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 ACI-03808 [0,0,0,1,0,1|1,0,1]=4 40 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 WS-05I-014 [0,1,0,1,0,0|1,0,1]=4 41 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 ACI-04853 [0,1,0,1,0,0|1,0,1]=4 42 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 JM-05I-005 [0,1,0,1,0,0|1,0,1]=4 43 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 JM-08K-003 [0,1,0,1,0,0|0,0,0]=2 44 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 ACI-00552 [0,1,0,1,0,0|1,0,0]=3 45 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 ACI-01628 [0,1,0,1,0,0|1,0,0]=3 46 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,0,0,0,2,0|1,1,0]=4 47 B10R1.66 O=C(O)CCC1=CNC=N1 ACI-01113 [0,0,0,0,2,0|2,0,0]=4 48 B10R1.66 O=C(O)CCC1=CNC=N1 ACI-02713 [0,0,0,0,2,0|2,0,0]=4