0 B9R1.69 CC1=CC(I)=NC=C1N 9643AB [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=CC(N)=C(N)C=N1 3453AC [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=CN=C(Br)N=C1Br 2360AC [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 CC1=CN=C(Cl)C=C1C 1648AJ [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=CN=C(F)C=C1C Y3913 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 X3720 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.69 FC1=CC=C(F)C(F)=N1 4323AB [0,0,0,0,0,0|3,0,1]=4 7 B9R1.69 N1C=C(C)C(=S)NC1=O 0156AP [0,0,0,0,0,0|2,0,1]=3 8 B9R1.69 NC1=CC(Cl)=CN=C1F N241 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 NC1=CN=C(N)N=C1N 4425AB [0,0,0,0,0,0|2,0,1]=3 10 B9R1.69 O=C1NC(O)=CC=C1Cl 0905AA [0,0,0,0,0,0|2,1,1]=4 11 B9R1.69 O=C1NC=C(O)C(=O)N1 Z1836 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.69 OC1=CN=C(F)C=C1Br Y3899 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.3 NC1=CN=C(F)N=C1 Z1674 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.3 NC1=CN=C(N)C=C1 N556 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.4 BrC1=CC(Br)=NC=C1 4920AH [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 CC1=CC(Br)=CC=N1 2699AJ [1,0,0,0,0,0|3,0,0]=4 17 B8R1.4 NC1=CC(N)=NC=N1 7202AF [1,0,0,0,0,0|3,0,0]=4 18 B8R1.4 NC1=CC=NC(=O)N1 9012AB [1,0,0,0,0,0|0,0,0]=1 19 B8R1.4 NC1=NC(=O)C=CN1 5499AL [1,0,0,0,0,0|2,0,1]=4 20 B8R1.5 CC1=C(Br)C=CN=C1 N224 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.5 NC1=C(F)C=CN=C1 Y6940 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.5 NC1=C(S)C=NC=C1 7377AB [1,0,0,0,0,0|2,0,0]=3 23 B8R1.5 NC1=CN=CC=C1Br 2730AJ [1,0,0,0,0,0|3,0,0]=4 24 B8R1.5 OC1=C(Br)C=NC=N1 W4195 [1,0,0,0,0,0|1,1,1]=4 25 B8R1.5 OC1=C(F)C=CN=C1 1350AA [1,0,0,0,0,0|3,0,0]=4 26 B10R1.22 CC1=C(I)C(=O)NC(=O)N1 Y7555 [0,1,0,0,0,0|1,1,1]=4 27 B10R1.22 FC1=CC(F)=C(F)C(F)=N1 1247AE [0,1,0,0,0,0|3,0,0]=4 28 B10R1.22 FC1=NC(F)=C(F)C(F)=N1 Y4039 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.22 NC1=C(Br)C(=O)NC(=O)N1 7058AE [0,1,0,0,0,0|0,1,1]=3 30 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 1338AB [0,1,0,0,0,0|2,0,1]=4 31 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 7132AF [0,1,0,0,0,0|2,0,1]=4 32 B10R1.22 O=C1NC(=O)C(F)=C(O)N1 1965AC [0,1,0,0,0,0|1,0,1]=3 33 B10R1.25 [N-]=[N+]=C1C=NC(=O)NC1=O 7133AF [0,1,0,0,0,0|2,0,0]=3 34 B10R1.25 [N-]=[N+]=C1C=NC(=O)NC1=O 7134AF [0,1,0,0,0,0|2,0,0]=3 35 B10R1.118 NC1=C(F)C=C(I)C(F)=C1 1397AJ [0,1,0,0,0,0|3,0,0]=4 36 B10R1.176 NC1=CC(C=O)=CC=C1Cl Y6396 [0,1,0,0,0,0|2,1,0]=4 37 B7R0.6 NC(=O)\C=C/C(N)=O 8173AL [1,0,1,0,0,0|2,0,0]=4 38 B7R1.3 ClC1=NC=CC=C1 7352AF [2,0,0,0,0,0|2,0,0]=4 39 B7R1.3 ClC1=NC=NC=C1 X3235 [2,0,0,0,0,0|1,0,1]=4 40 B7R1.3 FC1=CC=NC=N1 Z6041 [2,0,0,0,0,0|1,0,1]=4 41 B7R1.3 FC1=NC=CC=C1 7353AF [2,0,0,0,0,0|2,0,0]=4 42 B7R1.3 NC1=CC=CC=C1 2738AC [2,0,0,0,0,0|2,0,0]=4 43 B7R1.3 NC1=CC=CC=C1 5126AF [2,0,0,0,0,0|2,0,0]=4 44 B7R1.3 O=C1CC=CN=N1 Y4431 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.3 O=C1N=CC=CN1 9421AJ [2,0,0,0,0,0|0,0,0]=2 46 B9R1.1 NCC1=NC=C(F)C=C1 Y2001 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.2 CNC1=NC(=O)NC=C1 Z2895 [1,1,0,0,0,0|0,0,2]=4 48 B9R1.2 CSC1=NC=CC(=S)N1 Z2594 [1,1,0,0,0,0|1,1,0]=4 49 B9R1.2 NC1=CC(C=O)=CC=C1 8788AA [1,1,0,0,0,0|2,0,0]=4 50 B9R1.2 NCC1=CC(=O)NC=C1 5769AA [1,1,0,0,0,0|1,0,1]=4 51 B9R1.34 CC1=CC(O)=CC(=O)N1 7748AJ [1,1,0,0,0,0|2,0,0]=4 52 B9R1.34 NC1=CC(O)=NC(N)=N1 1891AL [1,1,0,0,0,0|1,0,1]=4 53 B9R1.34 NC1=CC(O)=NC(N)=N1 7203AF [1,1,0,0,0,0|1,0,1]=4 54 B9R1.34 NC1=NC(=O)C=C(F)N1 X5207 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.34 NC1=NC(Cl)=CC(=O)N1 W6154 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.34 NC1=NC(N)=NC(O)=C1 7204AF [1,1,0,0,0,0|1,0,1]=4 57 B9R1.34 NC1=NC(N)=NC(S)=C1 Y4929 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [1,1,0,0,0,0|2,0,0]=4 59 B9R1.15 CCC1=CN=CNC1=O 3205AJ [1,1,0,0,0,0|2,0,0]=4 60 B9R1.15 FC1=C(CBr)C=CN=C1 Y7275 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.23 O=CC1=CC(Br)=C(Br)N1 V9264 [0,1,0,0,1,0|1,1,0]=4 62 B7R1.4 NC1=CCOC1=O 3957AB [1,0,0,0,1,0|1,0,1]=4 63 B7R1.15 O=C1C=C([O-])C1=O 8854AJ [0,0,0,0,2,0|2,0,0]=4