0 B12R1.121 COC1=CC=CC=C1OCC#N ACI-05113 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.121 COC1=CC=CC=C1\C=C\CO ACI-05930 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [1,0,0,0,0,0|0,0,2]=3 3 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [1,0,0,0,0,0|1,0,2]=4 4 B13R1.90 COC1=CC=CC=C1OCC(=N)N ACI-05115 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O ACI-05917 [0,1,0,0,0,0|0,0,0]=1 6 B13R1.90 N#CC1=CC=CC=C1\C=C\C(=O)O ACI-01785 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.485 CCOC1=CC=CC=C1\C=C\CO ACI-05932 [0,1,0,0,0,0|0,0,2]=3 8 B13R2.32 CN1C(=O)COC2=CC=CC=C21 ACI-02214 [0,0,0,1,0,0|2,0,1]=4 9 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 ACI-02207 [0,0,0,1,0,0|2,0,1]=4 10 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 ACI-00806 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 ACI-00929 [0,0,0,1,0,0|2,0,0]=3 12 B13R2.57 N#CC1=CC2=CC=CC=C2OC1 ACI-01777 [0,0,0,1,0,0|1,0,1]=3 13 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 ACI-05343 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 SB-05K-001 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.57 OCC1=CC2=CC=CC=C2OC1 ACI-01778 [0,0,0,1,0,0|0,0,2]=3 16 B13R2.573 COC1=C2ON=C(O)C2=CC=C1 ACI-05664 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.1613 NNC1=C2C=CC=NC2=CC=C1 FD-10E-002 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl ACI-00859 [1,1,0,0,0,0|1,0,0]=3 20 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O ACI-05912 [1,1,0,0,0,0|0,0,0]=2 21 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F ACI-05913 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.308 O=CNC(=O)C1=CC=CC=C1O WS-02D-008 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.75 COC1=CC=CC=C1CC(N)=S ACI-NI-00200 [1,1,0,0,0,0|0,1,1]=4 24 B12R1.77 CCC(=O)C1=CC=CC=C1OC ACI-04020 [1,1,0,0,0,0|0,0,2]=4 25 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 ACI-NI-00255 [1,1,0,0,0,0|1,0,1]=4 26 B14R1.482 CCOC1=CC=CC=C1\C=C\C(=O)O ACI-05919 [0,2,0,0,0,0|0,0,0]=2 27 B14R1.7368 COC1=C(OC)C(\C=C\CO)=CC=C1 ACI-05931 [0,2,0,0,0,0|0,0,2]=4 28 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [1,0,0,1,0,0|1,0,1]=4 29 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [1,0,0,1,0,0|1,0,1]=4 30 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 ACI-01522 [1,0,0,1,0,0|1,0,1]=4 31 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [1,0,0,1,0,0|1,0,0]=3 32 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [1,0,0,1,0,0|0,0,0]=2 33 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [1,0,0,1,0,0|0,1,0]=3 34 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 ACI-02151 [1,0,0,1,0,0|1,1,0]=4 35 B12R2.1 O=CC1=COC2=C1C=CC=C2 ACI-01517 [1,0,0,1,0,0|0,0,1]=3 36 B12R2.1 O=CC1=CSC2=C1C=CC=C2 ACI-00483 [1,0,0,1,0,0|0,1,1]=4 37 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [1,0,0,1,0,0|1,0,1]=4 38 B14R2.1060 CC1=C(C=O)SC2=CC=C(Cl)C=C21 JM-03G-004 [0,1,0,1,0,0|2,0,0]=4 39 B14R2.1146 COC1=NC(Cl)=CC2=CC=CC=C21 SB-08B-001 [0,1,0,1,0,0|2,0,0]=4 40 B14R2.92 O=CC1=COC2=CC=CC=C2C1=O ACI-00322 [0,1,0,1,0,0|0,0,1]=3 41 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 FD-09F-001 [0,1,0,1,0,0|1,0,0]=3 42 B14R2.781 N=C(N)C1=CC2=CC=CC=C2OC1 ACI-01775 [0,1,0,1,0,0|1,0,0]=3 43 B14R2.781 NC(=O)C1=CC2=CC=CC=C2OC1 ACI-05405 [0,1,0,1,0,0|0,0,0]=2 44 B14R2.781 NC(=S)C1=CC2=CC=CC=C2OC1 ACI-01776 [0,1,0,1,0,0|0,1,0]=3 45 B14R2.781 O=C(Cl)C1=CC2=CC=CC=C2OC1 ACI-01773 [0,1,0,1,0,0|0,0,0]=2 46 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 JM-05I-005 [0,1,0,1,0,0|0,0,0]=2 47 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 ACI-01628 [0,1,0,1,0,0|1,0,1]=4 48 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 ACI-00811 [0,1,0,1,0,0|1,0,1]=4 49 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1I RH-09K-003 [0,1,0,1,0,0|1,0,1]=4