0 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 ACI-00579 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.59 CC1=C(C(N)=O)SC(Cl)=N1 ACI-05372 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ACI-00246 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 ACI-NI-00045 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 ACI-NI-00044 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 ACI-05352 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 JM-10G-003 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.22 NC1=NC(Cl)=C(C=O)S1 ACI-00963 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 NC(=O)C1=CN=C(Cl)S1 ACI-05438 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 O=N(=O)C1=CN=C(Br)S1 ACI-00236 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.41 CC1=C(C(=N)N)SN=N1 RJC-06A-011 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.41 CC1=C(C(=O)Cl)C=CO1 RH-11J-001 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.41 CC1=C(C(=O)Cl)SN=N1 ACI-00609 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.41 CC1=C(C(=O)O)SN=C1 ACI-NI-00744 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.41 CC1=C(C(=O)O)SN=N1 ACI-NI-00033 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.41 CC1=C(C(N)=O)C=CO1 RH-11A-003 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.41 CC1=C(C(N)=O)SN=N1 ACI-00611 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.41 CC1=C(C(N)=S)SN=N1 ACI-00612 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.41 CC1=NSC=C1C(=O)O ACI-00941 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.49 CC(=O)C1=C(C#N)NC(C)=N1 ACI-04668 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.49 CCN1N=C(C)C=C1C(=O)O SB-10B-002 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.225 COC(=O)C1=C(C)N=C(N)O1 ACI-01362 [0,1,0,0,0,0|1,1,0]=3 30 B11R1.673 CC1=NN(C)C(C(N)=O)=C1N ACI-06418 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.673 CC1=NN(C)C(C)=C1C(=O)Cl ACI-02393 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O ACI-02387 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.673 CC1=NN(C)C(C)=C1C(N)=O ACI-05427 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 ACI-NI-00398 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.166 CC(=O)C1=CN=C(N)N=C1C ACI-00090 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [2,0,0,0,0,0|0,0,0]=2 39 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.11 CC1=C(C=O)SN=C1 ACI-NI-00746 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.11 CC1=C(C=O)SN=N1 ACI-00610 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.11 CC1=C(CO)SC=N1 ACI-00573 [2,0,0,0,0,0|0,0,2]=4 45 B8R1.11 CN1N=CC=C1C=O ACI-00851 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.11 O=CC1=C(Br)C=CS1 ACI-00955 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.18 CC1=CC(C)=NN1C ACI-00025 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.14 COC(=O)C1=CC(C)=NN1 ACI-00027 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.149 COC(=O)C1=C(C)N=NS1 RJC-06A-012 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.149 COC(=O)C1=C(O)C=CS1 ACI-00880 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.1000 CC1=NC(C)=C(C(=O)O)C(C)=N1 ACI-01354 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl ACI-00873 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.354 COC(=O)C1=CC(Br)=CN=C1C ACI-06404 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.453 CCC1=CN=C(C)C(C(=O)O)=C1 ACI-01398 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.850 CC(=O)C1=C(C(=O)O)NC(C)=N1 ACI-04674 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.608 COC(=O)C1=CC(CBr)=NN1C ACI-02303 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.608 COC(=O)C1=CC(CCl)=NN1C ACI-00857 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.608 COC(=O)C1=CC(CO)=NN1C ACI-NI-00354 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.313 CCOC(=O)C1=C(C)N=C(Br)S1 ACI-00580 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.313 CCOC(=O)C1=C(C)N=C(C)S1 ACI-00247 [0,2,0,0,0,0|0,0,0]=2 65 B12R1.313 CCOC(=O)C1=C(C)N=C(N)O1 WS-05I-029 [0,2,0,0,0,0|1,1,0]=4 66 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 ACI-00311 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 ACI-00972 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.313 CCOC(=O)C1=CC(C)=NN1C ACI-NI-00043 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [1,0,0,0,0,1|2,0,0]=4 70 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [1,0,0,0,0,1|2,0,0]=4