0 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC1=CN=C(B(O)O)S1 3255AA [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CC1=NN=C(C(N)=O)O1 X5146 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 CC1=NNC(C(N)=O)=C1 4470AD [0,0,0,0,0,0|1,0,2]=3 6 B9R1.35 CN1C=NC(B(O)O)=C1 X3775 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 NC(=O)C1=NC=C(Br)S1 6538AC [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 NC1=NN=C(C(=O)O)O1 4279AE [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 O=C([S-])C1=NN=C(S)S1 P307 [0,0,0,0,0,0|2,1,1]=4 11 B8R1.1 CC1=NC(CO)=CN1 6280AB [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 CC(=O)C1=CC=NN1 9154AA [1,0,0,0,0,0|1,0,2]=4 13 B8R1.7 CC(N)C1=NNC=C1 Y5743 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 O=C(O)C1=NN=CO1 6208AC [1,0,0,0,0,0|1,0,1]=3 15 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,1,0,0,0,0|3,0,0]=4 16 B10R1.31 NCC1=NC(C(=O)O)=CS1 1233AJ [0,1,0,0,0,0|3,0,0]=4 17 B10R1.31 O=C(O)C1=CC(CO)=CO1 Y6581 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.31 O=CC1=CC(C(=O)O)=NN1 Y4291 [0,1,0,0,0,0|0,0,1]=2 19 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 9222AE [0,1,0,0,0,0|3,0,0]=4 20 B10R1.58 CC1=C(C)OC(C(=O)O)=N1 2578AJ [0,1,0,0,0,0|2,0,0]=3 21 B10R1.58 CN1N=C([N+](=O)[O-])C=C1N 9919AH [0,1,0,0,0,0|2,0,1]=4 22 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 W7073 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.59 CC1=CC(C(=O)O)=C(Cl)S1 N670 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.194 NC1=NNC(C(=O)O)=C1Cl 1282AE [0,1,0,0,0,0|1,0,2]=4 25 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [0,0,0,0,0,1|3,0,0]=4 26 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [0,0,0,0,0,1|2,0,1]=4 27 B10R1.54 CC(=O)NC1=NOC(C)=C1 5950AA [0,0,0,0,0,1|2,0,0]=3 28 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [0,0,0,0,0,1|2,0,0]=3 29 B7R0.6 NC(=O)\C=C/C(N)=O 8173AL [1,0,1,0,0,0|2,0,0]=4 30 B7R0.6 O=C(O)\C=C/C(=O)O O758 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.6 O=C([O-])\C=C\C(=O)O O999 [1,0,1,0,0,0|2,0,0]=4 32 B7R1.1 O=CC1=CC=NO1 8334AA [2,0,0,0,0,0|1,0,1]=4 33 B7R1.1 OCC1=NNC=N1 8322AH [2,0,0,0,0,0|1,0,1]=4 34 B9R1.7 CN1C=NC(CC=O)=C1 Y1291 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.21 CSC1=CC(C=O)=CS1 Z0992 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.21 O=CC1=CC(CO)=CO1 Y6573 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.23 CC1=CC(CBr)=NN1C Z2642 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [1,1,0,0,0,0|2,0,0]=4 40 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [0,1,0,0,0,1|1,0,1]=4 41 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 7354AF [0,1,0,0,0,1|2,0,0]=4 43 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 8018AH [0,1,0,0,0,1|1,0,1]=4 44 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 I622 [0,1,0,0,0,1|1,0,1]=4 45 B11R1.167 CC(=O)C1=CC(C)=CN=C1F Y3976 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.266 O=C(O)C1=CC(CBr)=NC=C1 1253AJ [0,1,0,0,0,1|1,0,1]=4 47 B11R1.226 CC1=CC(C(=O)CBr)=NN1C Z2514 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.672 CC1=C(Cl)C(C(=O)O)=NN1C 4686AE [0,2,0,0,0,0|0,0,0]=2 49 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C Y7997 [0,2,0,0,0,0|1,0,0]=3 50 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [0,0,1,1,0,0|1,0,1]=4 51 B9R1.2 C=CC1=CN=CC(C)=C1 2455AL [1,0,0,0,0,1|2,0,0]=4 52 B9R1.2 CC1=NN=CC(C=O)=N1 2328AJ [1,0,0,0,0,1|1,0,1]=4 53 B9R1.13 O=C(O)CC1=CNN=C1 Y1507 [1,0,0,0,0,1|2,0,0]=4 54 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 5257AB [0,0,0,0,0,2|2,0,0]=4