0 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [0,0,0,0,0,0|2,0,2]=4 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|1,0,0]=2 7 B11R1.12 C(C#N)(NC)C1=CC=CC=C1 ACI-NI-00463 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.12 N#C\C(=C/O)C1=CC=CC=C1 ACI-04944 [0,1,0,0,0,0|0,0,3]=4 9 B11R1.23 CC(C=O)C1=CC=CC(Br)=C1 ACI-05596 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 ACI-01570 [0,1,0,0,0,0|1,1,0]=3 11 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [0,0,0,1,0,0|1,1,1]=4 12 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,0,0,1,0,0|0,0,2]=3 13 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,0,0,1,0,0|0,1,1]=3 14 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.239 C1=CC(C2CNC2)=CC=N1 ACI-02449 [0,0,0,1,0,0|2,0,1]=4 16 B11R2.239 C1=CN=C(C2CNC2)C=C1 ACI-02447 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.239 C1=CN=CC(C2CNC2)=C1 ACI-02435 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,0,0,0,0,1|2,0,1]=4 19 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.17 C=CCNC1=CC=CN=C1 ACI-02637 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [1,1,0,0,0,0|0,0,2]=4 36 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [1,1,0,0,0,0|0,1,0]=3 38 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,1,0,0,0,1|1,0,1]=4 40 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 ACI-03857 [0,1,0,0,0,1|1,0,1]=4 41 B12R1.478 C(C#N)(C1=CC=CC=C1)N(C)C ACI-00264 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 ACI-01419 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.308 O=CNC(=O)C1=CC=CC=C1O WS-02D-008 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.124 CC(C(=O)O)C1=CC=CC=C1O ACI-04385 [0,2,0,0,0,0|0,0,0]=2 46 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 ACI-00954 [0,0,0,1,0,1|1,0,1]=4 47 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,0,0,1,0,1|0,0,0]=2 48 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [0,0,0,1,0,1|0,0,2]=4 49 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [0,0,0,1,0,1|0,0,2]=4 50 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [0,0,0,1,0,1|0,0,2]=4 51 B12R2.2403 CC1(C)CNC2=CC=CC=C21 ACI-02737 [0,1,0,1,0,0|1,0,1]=4 52 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [0,1,0,1,0,0|0,0,2]=4 53 B12R2.1 O=CC1=COC2=C1C=CC=C2 ACI-01517 [0,1,0,1,0,0|0,0,2]=4 54 B12R2.1 O=CC1=CSC2=C1C=CC=C2 ACI-00483 [0,1,0,1,0,0|0,0,2]=4 55 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,1,0,1,0,0|0,0,2]=4 56 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|0,0,0]=2 57 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JM-07I-001 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.132 CC1=CSC2=CC=C(Br)C=C12 ACI-05326 [0,1,0,1,0,0|0,1,1]=4 59 B12R2.132 CC1=CSC2=CC=C(Cl)C=C12 JM-03G-003 [0,1,0,1,0,0|0,1,1]=4 60 B12R2.132 CC1=CSC2=CC=C(F)C=C12 JM-04J-011 [0,1,0,1,0,0|0,1,1]=4 61 B12R2.203 CN1C=CC2=CC=CC(Br)=C21 RH-08K-005 [0,1,0,1,0,0|2,0,0]=4