0 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 C=CCNC1=CC=CN=C1 ACI-02637 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [0,1,0,0,0,0|0,0,2]=3 8 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 ACI-05929 [0,1,0,0,0,0|0,0,2]=3 9 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 ACI-05922 [0,1,0,0,0,0|0,0,2]=3 10 B11R1.1 OC\C=C\C1=CC=C(F)C=C1 ACI-05928 [0,1,0,0,0,0|0,0,2]=3 11 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [0,1,0,0,0,0|0,0,2]=3 12 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [0,1,0,0,0,0|0,0,2]=3 13 B11R1.24 CC1=CC(\C=C\CO)=CC=C1 ACI-05924 [0,1,0,0,0,0|0,0,2]=3 14 B11R1.24 OC\C=C\C1=CC=CC(Cl)=C1 ACI-05921 [0,1,0,0,0,0|0,0,2]=3 15 B11R1.24 OC\C=C\C1=CC=CC(F)=C1 ACI-05927 [0,1,0,0,0,0|0,0,2]=3 16 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ACI-01372 [0,1,0,0,0,0|1,0,0]=2 25 B11R2.1 BrC1=C2C=CC=CN2N=C1 ACI-04684 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,0,0,1,0,0|2,0,0]=3 28 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,0,0,1,0,0|2,0,0]=3 29 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [0,0,0,1,0,0|3,0,0]=4 30 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,1,0,0,0,0|0,1,1]=4 39 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.66 CC(=O)\C=C\C1=CSC=C1 RH-05D-001 [0,1,0,0,1,0|1,0,0]=3 41 B12R1.16 N#C\C=C(/N)C1=CC=C(Br)C=C1 ACI-01085 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.16 N#C\C=C(/N)C1=CC=C(F)C=C1 ACI-01082 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 ACI-01232 [0,2,0,0,0,0|0,0,0]=2 45 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [0,2,0,0,0,0|0,0,0]=2 46 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 ACI-05916 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 ACI-05909 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)N=C1 ACI-04774 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 ACI-05915 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.17 N#C\C=C(/N)C1=CC(Br)=CC=C1 ACI-01084 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,2,0,0,0,0|0,0,2]=4 52 B12R1.308 N#C\C=C(/N)C1=CC=CC=C1F ACI-01081 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.308 O=CNC(=O)C1=CC=CC=C1O WS-02D-008 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.121 COC1=CC=CC=C1\C=C\CO ACI-05930 [0,2,0,0,0,0|0,0,2]=4 55 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl ACI-00859 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O ACI-05912 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F ACI-05913 [0,2,0,0,0,0|0,0,0]=2 58 B12R1.100 OC\C=C\C1=CC(F)=CC(F)=C1 ACI-05933 [0,2,0,0,0,0|0,0,2]=4 59 B12R1.226 CC(=O)\C=C\C1=CC(Br)=CC=C1 ACI-00860 [0,2,0,0,0,0|0,0,0]=2 60 B12R1.226 CC(=O)\C=C\C1=CC(Cl)=CC=C1 ACI-01676 [0,2,0,0,0,0|0,0,0]=2 61 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 ACI-05911 [0,2,0,0,0,0|0,0,0]=2 62 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 ACI-01604 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 ACI-05908 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 ACI-05914 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 ACI-04772 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 ACI-01543 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,2,0,0,0,0|0,0,1]=3 68 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 ACI-03857 [0,2,0,0,0,0|0,0,0]=2 69 B10R1.30 O=CC1=CC(Cl)=CC=C1F ACI-00824 [0,0,1,1,0,0|2,0,0]=4 70 B10R1.20 C=CC1=NC=CC=C1C=O ACI-01425 [0,0,1,1,0,0|2,0,0]=4 71 B10R1.172 O=CC1=CC=CC(CBr)=C1 ACI-03882 [0,0,1,1,0,0|1,0,1]=4 72 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,1,0,1,0,0|1,0,1]=4 74 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,1,0,1,0,0|1,0,1]=4 75 B12R2.24 OC1=CN=C2C=CC=CC2=N1 ACI-01320 [0,1,0,1,0,0|1,0,1]=4 76 B12R2.132 CC1=CSC2=CC=C(Br)C=C12 ACI-05326 [0,1,0,1,0,0|2,0,0]=4 77 B12R2.132 CC1=CSC2=CC=C(Cl)C=C12 JM-03G-003 [0,1,0,1,0,0|2,0,0]=4 78 B12R2.132 CC1=CSC2=CC=C(F)C=C12 JM-04J-011 [0,1,0,1,0,0|2,0,0]=4 79 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 ACI-01589 [0,1,0,1,0,0|0,0,2]=4 80 B12R2.132 NC1=CC=C2COC(=O)C2=C1 RH-05C-010 [0,1,0,1,0,0|1,0,1]=4 81 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 JM-08K-044 [0,1,0,1,0,0|0,0,1]=3 82 B12R2.2 C1=CC=C(C2=CN=NS2)C=C1 ACI-00623 [0,1,0,1,0,0|1,1,0]=4 83 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 ACI-02620 [0,1,0,1,0,0|1,0,0]=3 84 B12R2.2 C1=CC=C(C2=CSN=N2)C=C1 ACI-00613 [0,1,0,1,0,0|2,0,0]=4 85 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 WS-04J-002 [0,1,0,1,0,0|1,0,0]=3 86 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 ACI-04689 [0,1,0,1,0,0|1,0,0]=3 87 B12R2.2 C1=CN=C(C2=CC=CS2)C=C1 JM-03K-001 [0,1,0,1,0,0|1,1,0]=4 88 B12R2.2 C1=CN=CC(C2=CN=CO2)=C1 JM-04E-091 [0,1,0,1,0,0|1,0,1]=4 89 B12R2.1081 ClC1=C2C=CC=CC2=NN=C1 ACI-06636 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.1081 O=C1NC=CC2=CN=CC=C12 ACI-02497 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.1081 OC1=C2C=CC=CC2=NN=C1 ACI-06635 [0,1,0,1,0,0|1,0,1]=4 92 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|0,0,2]=4 93 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 SB-03J-001 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.32 N#CC1=CC2=C(C=CC=C2)O1 ACI-01522 [0,1,0,1,0,0|1,0,1]=4 95 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [0,1,0,1,0,0|0,0,0]=2 96 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [0,1,0,1,0,0|0,0,0]=2 97 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [0,1,0,1,0,0|0,0,0]=2 98 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 ACI-02151 [0,1,0,1,0,0|1,0,0]=3 99 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [0,1,0,1,0,0|0,0,2]=4 100 B12R2.203 CN1C=CC2=CC=CC(Br)=C21 RH-08K-005 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JM-07I-001 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.1 N#CC1=CNC2=C1C=CC=C2 ACI-00379 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.1 O=CC1=COC2=C1C=CC=C2 ACI-01517 [0,1,0,1,0,0|0,0,0]=2 105 B12R2.1 O=CC1=CSC2=C1C=CC=C2 ACI-00483 [0,1,0,1,0,0|0,0,0]=2 106 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,1,0,1,0,0|0,0,2]=4 107 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 ACI-00954 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,1,0,1,0,0|0,0,2]=4 109 B12R2.2403 O=S1(=O)C=CC2=CC=CC=C21 ACI-03834 [0,1,0,1,0,0|1,0,0]=3