0 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [0,0,0,0,0,0|2,0,0]=2 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|2,0,1]=3 3 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.1 CC1=CC=C(OCC#N)C=C1 ACI-05112 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.1 CC1=CC=C(\C=C\CO)C=C1 ACI-05923 [0,1,0,0,0,0|0,0,2]=3 9 B11R1.1 FC1=CC=C(CN=C=S)C=C1 JL-10F-002 [0,1,0,0,0,0|1,1,1]=4 10 B11R1.1 N#CCOC1=CC=C(Br)C=C1 ACI-05158 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 ACI-05101 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.1 N#CCOC1=CC=C(F)C=C1 ACI-05147 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 ACI-05929 [0,1,0,0,0,0|0,0,2]=3 14 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 ACI-05922 [0,1,0,0,0,0|0,0,2]=3 15 B11R1.1 OC\C=C\C1=CC=C(F)C=C1 ACI-05928 [0,1,0,0,0,0|0,0,2]=3 16 B11R1.17 CC1=C(OCC#N)C=CC=C1 ACI-05106 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.17 CC1=CC=CC=C1\C=C\CO ACI-05925 [0,1,0,0,0,0|0,0,2]=3 18 B11R1.17 N#CCOC1=C(Br)C=CC=C1 ACI-05152 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.17 N#CCOC1=C(F)C=CC=C1 ACI-05141 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.17 N#CCOC1=CC=CC=C1Cl ACI-05096 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.17 OC\C=C\C1=CC=CC=C1F ACI-05926 [0,1,0,0,0,0|0,0,2]=3 22 B11R1.24 CC1=CC(\C=C\CO)=CC=C1 ACI-05924 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.24 CC1=CC=CC(CCCO)=N1 ACI-01649 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.24 CC1=CC=CC(OCC#N)=C1 ACI-05107 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.24 N#CCOC1=CC(Br)=CC=C1 ACI-05153 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.24 N#CCOC1=CC(F)=CC=C1 ACI-05146 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.24 N#CCOC1=CC=CC(Cl)=C1 ACI-05100 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.24 OC\C=C\C1=CC=CC(Cl)=C1 ACI-05921 [0,1,0,0,0,0|0,0,2]=3 29 B11R1.24 OC\C=C\C1=CC=CC(F)=C1 ACI-05927 [0,1,0,0,0,0|0,0,2]=3 30 B11R1.28 N#CCOCC1=CC=CC=C1 ACI-04838 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05254 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05268 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [0,1,0,0,0,0|2,0,1]=4 43 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,0,0,1,0,0|2,0,0]=3 44 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,0,0,1,0,0|1,0,0]=2 46 B11R2.239 C1=CC(C2CNC2)=CC=N1 ACI-02449 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.239 C1=CN=C(C2CNC2)C=C1 ACI-02447 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.239 C1=CN=CC(C2CNC2)=C1 ACI-02435 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,1,0,0,0,0|0,1,1]=4 59 B12R1.1 N#CCCOC1=CC=C(F)C=C1 ACI-04357 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N/O ACI-00154 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O RH-08K-002 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.69 CC1=CC(Br)=C(SCCO)C=C1 ACI-02407 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.385 CC1=CC(SCCO)=CC=C1Br ACI-02414 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.385 CC1=CC=C(SCCO)C=C1Br ACI-02351 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.39 O=S(=O)(CCO)C1=CC=CC=C1 ACI-02410 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,2,0,0,0,0|0,0,1]=3 67 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 ACI-01419 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.25 CC1=C(Br)C=CC=C1SCCO ACI-02418 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.121 COC1=CC=CC=C1\C=C\CO ACI-05930 [0,2,0,0,0,0|0,0,2]=4 70 B12R1.28 CC1=CC(CSCCN)=CC=C1 ACI-05264 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.28 CC1=CC(CSCCN)=CC=C1 ACI-05278 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.28 NCCSCC1=CC(Br)=CC=C1 ACI-05273 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.28 NCCSCC1=CC(Cl)=CC=C1 ACI-05272 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.28 NCCSCC1=CC(F)=CC=C1 ACI-05271 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.28 NCCSCC1=CC=CC(Br)=C1 ACI-05259 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.28 NCCSCC1=CC=CC(Cl)=C1 ACI-05258 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.28 NCCSCC1=CC=CC(F)=C1 ACI-05257 [0,2,0,0,0,0|1,0,0]=3 78 B12R1.50 N\C(CC1=CC=CC(F)=C1)=N/O ACI-05006 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.100 CC1=CC(SCCO)=CC(Br)=C1 ACI-02422 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.100 OCCSC1=CC(Br)=CC(Cl)=C1 ACI-02426 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.100 OCCSC1=CC(F)=CC(Cl)=C1 ACI-04612 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.100 OC\C=C\C1=CC(F)=CC(F)=C1 ACI-05933 [0,2,0,0,0,0|0,0,2]=4 83 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 ACI-01604 [0,2,0,0,0,0|1,0,1]=4 84 B12R1.27 N\C(COC1=CC=CC=C1)=N/O FD-11E-002 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,2,0,0,0,0|0,0,2]=4 86 B12R2.24 BrC1=NC2=C(C=C1)OCCN2 ACI-03796 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,1,0,1,0,0|1,0,1]=4 88 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,1,0,1,0,0|1,0,1]=4 89 B12R2.24 OC1=CC=C2OCCNC2=C1 JM-08B-001 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 ACI-01589 [0,1,0,1,0,0|0,0,2]=4 91 B12R2.2 C1=CC=C(N2CCCC2)C=C1 ACI-05642 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,1,0,1,0,0|1,0,0]=3 93 B12R2.1081 NC1=C2OCCOC2=CC=C1 ACI-NI-00705 [0,1,0,1,0,0|1,0,0]=3 94 B12R2.1081 NC1=C2OCCOC2=CC=C1 SB-12L-001 [0,1,0,1,0,0|1,0,0]=3 95 B12R2.1081 S=C1NCCC2=CC=CC=C12 FD-10F-003 [0,1,0,1,0,0|0,1,1]=4 96 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|0,0,2]=4 97 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [0,1,0,1,0,0|0,0,2]=4 98 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 JM-09H-001 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,1,0,1,0,0|0,0,2]=4 100 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,1,0,1,0,0|0,0,2]=4 101 B12R2.2403 CC1(C)CNC2=CC=CC=C21 ACI-02737 [0,1,0,1,0,0|2,0,0]=4 102 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,0,0,0,1,0|2,0,0]=4