0 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,0,0,0,0,0|1,1,0]=3 6 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N/O ACI-00154 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O RH-08K-002 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 WS-04E-003 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.50 N\C(CC1=CC=CC(F)=C1)=N/O ACI-05006 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.371 COC(=O)CC1=CC=CC=C1Br ACI-01581 [0,1,0,0,0,0|0,0,0]=1 13 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,0,0,1,0,0|1,0,0]=2 14 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,0,0,1,0,0|1,0,0]=2 16 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.32 COC1=NC2=CC=CC=C2N1 ACI-06429 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,0,0,0,1,0|1,0,0]=2 19 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,0,0,0,1,0|2,0,0]=3 20 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,0,0,0,1,0|3,0,0]=4 22 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,0,0,0,1,0|3,0,0]=4 24 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [0,0,0,0,1,0|3,0,0]=4 26 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 ACI-04772 [0,0,0,0,0,1|1,0,1]=3 27 B12R1.27 N\C(COC1=CC=CC=C1)=N/O FD-11E-002 [0,0,0,0,0,1|3,0,0]=4 28 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05254 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05268 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 ACI-01700 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 ACI-01698 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 ACI-NI-00199 [1,1,0,0,0,0|1,1,0]=4 38 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.86 CC1=CC=CC=C1CC(=O)Cl ACI-05798 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.86 NC(=O)CC1=C(I)C=CC=C1 ACI-05460 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.86 NC(=S)CC1=CC=CC=C1Br ACI-NI-00198 [1,1,0,0,0,0|1,1,0]=4 43 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 ACI-05793 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.86 O=C(Cl)CC1=C(I)C=CC=C1 ACI-05161 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 ACI-01701 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 ACI-05461 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 ACI-05162 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 ACI-05795 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 ACI-05799 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,1,0,0,1,0|1,0,0]=3 51 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,1,0|1,0,0]=3 52 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 ACI-04825 [0,1,0,0,1,0|1,0,0]=3 53 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [0,1,0,0,1,0|1,0,0]=3 54 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [0,1,0,0,1,0|1,0,0]=3 55 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 ACI-01724 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.23 CCC(=O)C1=NC(C)=CC=C1 ACI-05706 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.23 COC(=O)C1=CC(F)=CN=C1 RJC-04K-001 [0,1,0,0,1,0|1,0,0]=3 59 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 ACI-01721 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 ACI-01728 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,1,0,0,1,0|2,0,0]=4 64 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,1,0,0,1,0|1,0,0]=3 65 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,1,0,0,1,0|1,0,0]=3 66 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 ACI-NI-00119 [0,1,0,0,1,0|1,0,0]=3 67 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SB-05G-001 [0,1,0,0,1,0|1,0,0]=3 68 B11R1.222 COC(=O)C1=CC=CN=C1Br ACI-01378 [0,1,0,0,1,0|1,0,0]=3 69 B11R1.222 COC(=O)C1=CC=CN=C1Cl ACI-01376 [0,1,0,0,1,0|1,0,0]=3 70 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,1,0,0,1,0|1,0,0]=3 71 B11R1.222 NNC(=O)C1=CC=CC=C1Br ACI-01722 [0,1,0,0,1,0|2,0,0]=4 72 B11R1.222 NNC(=O)C1=CC=CC=C1F ACI-01726 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 ACI-05249 [0,1,0,0,0,1|0,0,0]=2 74 B13R1.14 COC(=O)COC1=CC=C(O)C=C1 JM-14I-001 [0,1,0,0,0,1|0,0,0]=2 75 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 ACI-04770 [0,1,0,0,0,1|0,0,1]=3 76 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 ACI-04771 [0,1,0,0,0,1|0,0,1]=3 77 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)N=C1 ACI-04775 [0,1,0,0,0,1|1,0,1]=4 78 B13R1.15 COC(=O)CSC1=NC(O)=CC=N1 ACI-00080 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 ACI-01784 [0,1,0,0,0,1|0,0,0]=2 80 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 JM-09J-001 [0,2,0,0,0,0|1,0,1]=4 81 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 ACI-NI-00184 [0,2,0,0,0,0|0,0,0]=2 82 B13R1.47 CCOC(=O)C(Cl)C1=CC=CC=C1 ACI-01587 [0,2,0,0,0,0|0,0,0]=2 83 B13R1.21 COC(=O)C(N)C1=CC=C(Cl)C=C1 WS-05D-003 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.249 CNS(=O)(=O)CC1=CC=C(Br)C=C1 ACI-06076 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.249 CNS(=O)(=O)CC1=CC=C(F)C=C1 ACI-06062 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.2679 NNC(=O)CC1=C(F)C=C(F)C=C1 JL-12B-002 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.275 CNS(=O)(=O)CC1=CC=CC=C1C ACI-06079 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.25 COC(=O)\C=C\C1=CSC=C1 ACI-04773 [0,0,1,1,0,0|1,0,1]=4 89 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [1,0,0,1,0,0|1,0,1]=4 92 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [1,0,0,1,0,0|1,1,0]=4 93 B13R2.32 CN1C(=O)COC2=CC=CC=C21 ACI-02214 [0,0,0,1,0,1|1,0,0]=3 94 B13R2.32 CN1C(=O)OCC2=CC=CC=C21 ACI-02207 [0,0,0,1,0,1|1,0,0]=3 95 B13R2.328 CN1CC(=O)OC2=CC=CC=C21 ACI-02217 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 ACI-00806 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.45 CN1C(C=O)=NC2=C1C=CC=C2 ACI-00929 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O ACI-01114 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.369 CN1CC2=CC=CC=C2OC1=O ACI-02212 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 ACI-06358 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.5179 O=C1CCC2=C(C=CC=C2Cl)N1 ACI-06369 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.5179 O=C1CCC2=C(C=CC=C2F)N1 ACI-06365 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.11 COC(=N)C1=CC=CS1 WS-04A-006 [0,0,0,0,2,0|2,0,0]=4 104 B9R1.11 COC(=O)C1=CNC=C1 ACI-05835 [0,0,0,0,2,0|1,0,0]=3