0 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 3 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.1 CC1=CC=C(OCC#N)C=C1 ACI-05112 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.1 FC1=CC=C(CN=C=S)C=C1 JL-10F-002 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.1 N#CCOC1=CC=C(Br)C=C1 ACI-05158 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 ACI-05101 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.1 N#CCOC1=CC=C(F)C=C1 ACI-05147 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.17 CC1=C(OCC#N)C=CC=C1 ACI-05106 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.17 N#CCOC1=C(Br)C=CC=C1 ACI-05152 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.17 N#CCOC1=C(F)C=CC=C1 ACI-05141 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.17 N#CCOC1=CC=CC=C1Cl ACI-05096 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.24 CC1=CC=CC(CCCO)=N1 ACI-01649 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.24 CC1=CC=CC(OCC#N)=C1 ACI-05107 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.24 N#CCOC1=CC(Br)=CC=C1 ACI-05153 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.24 N#CCOC1=CC(F)=CC=C1 ACI-05146 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.24 N#CCOC1=CC=CC(Cl)=C1 ACI-05100 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.28 N#CCOCC1=CC=CC=C1 ACI-04838 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05254 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.28 NCCSCC1=CC=CC=C1 ACI-05268 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.28 OCCOCC1=CC=CC=C1 ACI-15284 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,1,0,0,0,0|3,0,0]=4 31 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,0,0,1,0,0|2,0,1]=4 33 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,0,0,1,0,0|0,0,0]=1 34 B11R2.20 C1=CC=C2OCCNC2=C1 ACI-00558 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.239 C1=CC(C2CNC2)=CC=N1 ACI-02449 [0,0,0,1,0,0|1,0,0]=2 36 B11R2.239 C1=CN=C(C2CNC2)C=C1 ACI-02447 [0,0,0,1,0,0|1,0,0]=2 37 B11R2.239 C1=CN=CC(C2CNC2)=C1 ACI-02435 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,1,0,0,0,0|0,0,1]=3 48 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.1 N#CCCOC1=CC=C(F)C=C1 ACI-04357 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.371 COC(=O)CC1=CC=CC=C1Br ACI-01581 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.28 CC1=CC(CSCCN)=CC=C1 ACI-05264 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.28 CC1=CC(CSCCN)=CC=C1 ACI-05278 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.28 NCCSCC1=CC(Br)=CC=C1 ACI-05273 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.28 NCCSCC1=CC(Cl)=CC=C1 ACI-05272 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.28 NCCSCC1=CC(F)=CC=C1 ACI-05271 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.28 NCCSCC1=CC=CC(Br)=C1 ACI-05259 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.28 NCCSCC1=CC=CC(Cl)=C1 ACI-05258 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.28 NCCSCC1=CC=CC(F)=C1 ACI-05257 [0,2,0,0,0,0|2,0,0]=4 61 B10R2.136 C1=CN(C2CNC2)N=C1 ACI-03812 [0,0,0,1,1,0|2,0,0]=4 62 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,1,0,1,0,0|1,0,1]=4 63 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 ACI-01589 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.2 C1=CC=C(N2CCCC2)C=C1 ACI-05642 [0,1,0,1,0,0|1,0,0]=3 65 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,1,0,1,0,0|0,0,0]=2 66 B12R2.1081 S=C1NCCC2=CC=CC=C12 FD-10F-003 [0,1,0,1,0,0|0,0,1]=3 67 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.196 CN1N=CC2=C1C=CC=C2N ACI-02532 [0,1,0,1,0,0|1,0,1]=4 69 B12R2.203 CN1C=CC2=CC=CC(Br)=C21 RH-08K-005 [0,1,0,1,0,0|0,0,2]=4 70 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JM-07I-001 [0,1,0,1,0,0|0,0,2]=4 71 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 JM-09H-001 [0,1,0,1,0,0|0,0,0]=2 72 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,1,0,1,0,0|0,0,1]=3 74 B12R2.2403 CC1(C)CNC2=CC=CC=C21 ACI-02737 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,0,0,0,1,0|1,0,0]=3