0 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 ACI-03857 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 O=C(O)COC1=CC=C[NH+]=C1 WS-05B-008 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 ACI-01372 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.369 CN1CC2=CC=CC=C2OC1=O ACI-02212 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 ACI-01325 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 ACI-01505 [0,0,0,1,0,0|1,1,1]=4 13 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 ACI-01123 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.435 NC(=O)C1CC2=CC=CC=C2O1 ACI-05381 [0,0,0,1,0,0|1,0,2]=4 15 B13R2.435 O=C(Cl)C1CC2=CC=CC=C2O1 ACI-01144 [0,0,0,1,0,0|1,0,2]=4 16 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 ACI-00957 [0,0,0,1,0,0|0,1,1]=3 17 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)S1 ACI-02074 [0,0,0,1,0,0|1,1,1]=4 18 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 ACI-04808 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 ACI-01143 [0,0,0,1,0,0|0,0,2]=3 20 B10R1.17 O=CNCC1=NC=CC=C1 ACI-01373 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [2,0,0,0,0,0|1,1,0]=4 22 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N/O ACI-00154 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O RH-08K-002 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.50 N\C(CC1=CC=CC(F)=C1)=N/O ACI-05006 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.371 COC(=O)CC1=CC=CC=C1Br ACI-01581 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 ACI-01232 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 ACI-05910 [1,1,0,0,0,0|0,0,1]=3 28 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 ACI-05916 [1,1,0,0,0,0|0,0,1]=3 29 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 ACI-05909 [1,1,0,0,0,0|0,0,1]=3 30 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)N=C1 ACI-04774 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 ACI-05915 [1,1,0,0,0,0|0,0,1]=3 32 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 ACI-04772 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 ACI-01063 [1,1,0,0,0,0|0,0,1]=3 34 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 ACI-01419 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl ACI-00859 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O ACI-05912 [1,1,0,0,0,0|0,0,1]=3 37 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F ACI-05913 [1,1,0,0,0,0|0,0,1]=3 38 B12R1.226 CC(=O)\C=C\C1=CC(Br)=CC=C1 ACI-00860 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.226 CC(=O)\C=C\C1=CC(Cl)=CC=C1 ACI-01676 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 ACI-05911 [1,1,0,0,0,0|0,0,1]=3 41 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 ACI-01604 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 ACI-05908 [1,1,0,0,0,0|0,0,1]=3 43 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 ACI-05914 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.124 CC(C(=O)O)C1=CC=CC=C1O ACI-04385 [0,1,0,0,1,0|1,0,1]=4 45 B14R1.698 O=C(O)CC(=O)NC1=CC=C(Br)C=C1 ACI-04873 [0,1,0,0,0,1|1,0,0]=3 46 B14R1.3 N#CC1=CC=C(CC(=O)C(=O)O)C=C1 ACI-02272 [0,2,0,0,0,0|0,0,0]=2 47 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [1,0,0,1,0,0|1,0,1]=4 48 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 ACI-02595 [1,0,0,1,0,0|1,0,1]=4 50 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 ACI-00894 [1,0,0,1,0,0|0,0,2]=4 51 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 ACI-00958 [1,0,0,1,0,0|0,1,1]=4 52 B14R2.781 NC(=O)C1=CC2=CC=CC=C2OC1 ACI-05405 [0,0,0,1,0,1|2,0,0]=4 53 B14R2.781 O=C(Cl)C1=CC2=CC=CC=C2OC1 ACI-01773 [0,0,0,1,0,1|2,0,0]=4 54 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 JM-05I-005 [0,0,0,1,0,1|1,0,0]=3 55 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=C1 WS-04K-006 [0,0,0,1,0,1|1,0,1]=4 56 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 JM-08K-003 [0,0,0,1,0,1|0,0,2]=4 57 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 ACI-00552 [0,0,0,1,0,1|0,0,2]=4 58 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 ACI-01628 [0,0,0,1,0,1|0,0,2]=4 59 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=C2 ACI-02071 [0,1,0,1,0,0|0,1,1]=4 60 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 ACI-NI-00494 [0,1,0,1,0,0|1,0,1]=4 61 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 ACI-04989 [0,1,0,1,0,0|0,0,2]=4 62 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 ACI-01066 [0,1,0,1,0,0|0,1,1]=4 63 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)S1 ACI-02070 [0,1,0,1,0,0|0,1,1]=4 64 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 ACI-01070 [0,1,0,1,0,0|0,1,1]=4 65 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)S1 ACI-02094 [0,1,0,1,0,0|0,1,1]=4 66 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2S1 ACI-05318 [0,1,0,1,0,0|0,1,1]=4 67 B14R2.4529 OC(=O)C1=CC2=CC=C(Cl)C=C2S1 ACI-05316 [0,1,0,1,0,0|0,1,1]=4 68 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 ACI-02184 [0,1,0,1,0,0|1,0,1]=4 69 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 ACI-NI-00496 [0,1,0,1,0,0|1,0,1]=4 70 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 ACI-01078 [0,1,0,1,0,0|0,1,1]=4 71 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2S1 RH-06B-002 [0,1,0,1,0,0|0,1,1]=4 72 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Br)=CC=C2 ACI-02088 [0,1,0,1,0,0|0,1,1]=4 73 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 ACI-02092 [0,1,0,1,0,0|0,1,1]=4 74 B14R2.7969 O=C(O)C1=CC2=C(S1)C(F)=CC=C2 ACI-02093 [0,1,0,1,0,0|0,1,1]=4 75 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 FD-09F-001 [0,1,0,1,0,0|1,0,1]=4 76 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 ACI-02696 [0,1,0,1,0,0|0,1,1]=4 77 B14R2.450 O=C(O)C1=C(O)C2=CC=CC=C2S1 ACI-04216 [0,1,0,1,0,0|0,1,1]=4 78 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [1,0,0,0,1,0|2,0,0]=4 79 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [1,0,0,0,1,0|1,0,0]=3 81 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.252 CC(=O)\C=C\NC1=CC=CC=C1 ACI-01543 [1,0,0,0,0,1|1,0,1]=4