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|4,0,0]=4 4 B9R1.35 CC1=NC=C(B(O)O)S1 Y1819 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 NC(=O)C1=NC=C(Br)S1 6538AC [0,0,0,0,0,0|2,1,0]=3 6 B9R1.35 NC1=NN=C(C(=O)O)O1 4279AE [0,0,0,0,0,0|3,1,0]=4 7 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Z2011 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [0,0,0,0,0,0|1,2,0]=3 9 B9R1.35 O=C([S-])C1=NN=C(S)S1 P307 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.1 CSC1=CC=C(Br)S1 Z0912 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.1 ClC1=CC=C([Mg]Br)S1 8222AJ [1,0,0,0,0,0|2,0,0]=3 12 B8R1.1 O=CC1=COC(Br)=N1 1801AA [1,0,0,0,0,0|2,1,0]=4 13 B8R1.7 CC(=O)C1=CC=NN1 9154AA [1,0,0,0,0,0|3,0,0]=4 14 B8R1.7 CC(O)C1=CC=CS1 2224AC [1,0,0,0,0,0|1,0,1]=3 15 B8R1.7 N=C(N)C1=NC=CS1 W4425 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 O=C(O)C1=NN=CO1 6208AC [1,0,0,0,0,0|2,1,0]=4 17 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [1,0,0,0,0,0|1,1,1]=4 18 B8R1.7 OB(O)C1=CC=NS1 X3427 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 OB(O)C1=CN=CS1 X5501 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 OB(O)C1=NC=CS1 Y8965 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,1,0,0,0,0|1,0,0]=2 22 B10R1.14 COC(=O)C1=CC=C(I)O1 9757AL [0,1,0,0,0,0|0,2,0]=3 23 B10R1.14 COC(=O)C1=CN=C(N)[Se]1 Z2510 [0,1,0,0,0,0|2,1,0]=4 24 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,1,0,0,0,0|1,1,0]=3 25 B10R1.31 CSC1=CC=C(B(O)O)S1 Z0640 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.31 NCC1=NC(C(=O)O)=CS1 1233AJ [0,1,0,0,0,0|3,0,0]=4 27 B10R1.31 O=C(O)C1=CC(CO)=CO1 Y6581 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 9222AE [0,1,0,0,0,0|3,0,0]=4 29 B10R1.58 CC1=C(C)OC(C(=O)O)=N1 2578AJ [0,1,0,0,0,0|2,1,0]=4 30 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 W7073 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.59 CC1=CC(C(=O)O)=C(Cl)S1 N670 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 0105AB [0,0,0,0,0,1|3,0,0]=4 33 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [0,0,0,0,0,1|2,0,0]=3 34 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [0,0,0,0,0,1|2,0,0]=3 35 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [0,0,0,0,0,1|2,1,0]=4 36 B10R1.113 NC(=O)C1=NC(F)=CN=C1 1523AE [0,0,0,0,0,1|2,1,0]=4 37 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [0,0,0,0,0,1|1,1,0]=3 38 B10R1.113 O=[N+]([O-])C1=CN=CC(Cl)=C1 W4604 [0,0,0,0,0,1|2,0,1]=4 39 B7R1.1 CNC1=CC=CS1 1494AC [2,0,0,0,0,0|2,0,0]=4 40 B7R1.1 O=CC1=CC=NO1 8334AA [2,0,0,0,0,0|1,1,0]=4 41 B7R1.2 C=C1C=CC(=O)O1 1661AA [2,0,0,0,0,0|1,1,0]=4 42 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [2,0,0,0,0,0|1,1,0]=4 43 B7R1.2 NC1=CC=C(Cl)S1 X8823 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.7 NCCC1=CC=C(Cl)S1 1212AJ [1,1,0,0,0,0|1,0,1]=4 45 B9R1.21 ClCC1=CC=C(CCl)S1 2808AB [1,1,0,0,0,0|1,0,1]=4 46 B9R1.23 O=CC1=CC(Br)=C(Br)N1 V9264 [1,1,0,0,0,0|1,1,0]=4 47 B9R1.11 C\C(=N/O)C1=CC=CO1 4345AE [1,1,0,0,0,0|1,1,0]=4 48 B9R1.11 C\C(=N/O)C1=CC=CO1 4346AE [1,1,0,0,0,0|1,1,0]=4 49 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [1,1,0,0,0,0|1,0,0]=3 50 B9R1.11 NCC(O)C1=CC=CS1 9385AJ [1,1,0,0,0,0|1,0,1]=4 51 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [1,1,0,0,0,0|1,0,0]=3 52 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [1,1,0,0,0,0|2,0,0]=4 54 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [0,1,0,0,0,1|2,0,0]=4 55 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 6779AB [0,1,0,0,0,1|1,0,1]=4 56 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 5297AL [0,1,0,0,0,1|2,0,0]=4 58 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 7684AH [0,1,0,0,0,1|2,0,0]=4 59 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 8390AJ [0,1,0,0,0,1|2,0,0]=4 60 B11R1.74 O=C1C=C(C(=O)O)CC(=O)O1 7615AF [0,1,0,0,0,1|2,0,0]=4 61 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 8018AH [0,1,0,0,0,1|2,0,0]=4 62 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 I622 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 9418AF [0,1,0,0,0,1|2,0,0]=4 64 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 3818AA [0,1,0,0,0,1|1,0,0]=3 65 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C W9899 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 7841AF [0,1,0,0,0,1|2,0,0]=4 67 B11R1.167 NC1=NC=C(Cl)C(C(=O)O)=N1 6311AB [0,1,0,0,0,1|2,0,0]=4 68 B11R1.167 O=C(Cl)C1=CC(Cl)=CN=C1Cl 9755AE [0,1,0,0,0,1|2,0,0]=4 69 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 9628AJ [0,1,0,0,0,1|1,0,0]=3 70 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 8131AA [0,1,0,0,0,1|2,0,0]=4 71 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 W5898 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.266 O=C(O)C1=CC(CBr)=NC=C1 1253AJ [0,1,0,0,0,1|1,1,0]=4 73 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 1498AC [0,2,0,0,0,0|1,1,0]=4 74 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 X0326 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.79 O=S(=O)(Cl)C1=CC(Br)=C(Cl)S1 8504AA [0,2,0,0,0,0|1,0,1]=4 76 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [0,0,1,1,0,0|2,0,0]=4 77 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [0,0,1,1,0,0|2,0,0]=4 78 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 7598AF [0,0,1,1,0,0|2,0,0]=4 79 B9R1.2 NC1=CC(C=O)=CC=C1 8788AA [1,0,0,0,0,1|2,0,0]=4 80 B9R1.2 NC1=NC=CC(C=O)=N1 8419AA [1,0,0,0,0,1|2,0,0]=4 81 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 5257AB [0,0,0,0,0,2|1,1,0]=4