0 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 9222AE [0,0,0,0,0,0|3,0,0]=3 1 B10R1.58 CC1=C(C)OC(C(=O)O)=N1 2578AJ [0,0,0,0,0,0|2,1,0]=3 2 B9R1.23 O=CC1=CC(Br)=C(Br)N1 V9264 [1,0,0,0,0,0|2,1,0]=4 3 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [1,0,0,0,0,0|1,1,0]=3 5 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.35 CC1=NNC(C(N)=O)=C1 4470AD [1,0,0,0,0,0|3,0,0]=4 7 B9R1.35 NC(=O)C1=NC=C(Br)S1 6538AC [1,0,0,0,0,0|2,1,0]=4 8 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [1,0,0,0,0,0|1,2,0]=4 9 B11R1.79 O=S(=O)(Cl)C1=CC(Br)=C(Cl)S1 8504AA [0,1,0,0,0,0|2,0,1]=4 10 B11R1.672 CC1=C(Cl)C(C(=O)O)=NN1C 4686AE [0,1,0,0,0,0|3,0,0]=4 11 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C Y7997 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [0,0,0,0,0,1|2,0,0]=3 13 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 8390AJ [0,0,0,0,0,1|3,0,0]=4 14 B11R1.74 O=C1C=C(C(=O)O)CC(=O)O1 7615AF [0,0,0,0,0,1|3,0,0]=4 15 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 8018AH [0,0,0,0,0,1|3,0,0]=4 16 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 I622 [0,0,0,0,0,1|3,0,0]=4 17 B8R1.1 ClC1=CC=C([Mg]Br)S1 8222AJ [2,0,0,0,0,0|2,0,0]=4 18 B8R1.18 CC1=CC(C)=C(C)S1 Z5478 [2,0,0,0,0,0|1,0,1]=4 19 B8R1.18 ClC1=CC(Cl)=C(Cl)S1 Z2433 [2,0,0,0,0,0|2,0,0]=4 20 B8R1.7 CC(O)C1=CC=CS1 2224AC [2,0,0,0,0,0|1,0,1]=4 21 B10R1.35 CCC1=C(Br)C=C(C=O)S1 Z2829 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [1,1,0,0,0,0|1,0,0]=3 23 B10R1.14 COC(=O)C1=CC=C(I)O1 9757AL [1,1,0,0,0,0|0,2,0]=4 24 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [1,1,0,0,0,0|1,1,0]=4 25 B10R1.31 O=C(O)C1=CC(CO)=CO1 Y6581 [1,1,0,0,0,0|0,1,0]=3 26 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 W7073 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.59 CC1=CC(C(=O)O)=C(Cl)S1 N670 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.48 CNC1=C(C)C=C(C(=O)O)C=C1 2341AJ [0,1,0,0,0,1|2,0,0]=4 29 B12R1.48 CSC1=CC=C(C(=O)O)C=C1Cl Y3816 [0,1,0,0,0,1|1,0,0]=3 30 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C Z0137 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.232 CC(=O)C1=CC(Cl)=C(C)C=C1N Y9468 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.232 CC1=C(C)NC(=O)C(C(=O)O)=C1 Y9297 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(Cl)C=C1 7028AB [0,1,0,0,0,1|2,0,0]=4 34 B12R1.11 CSC1=CC(Br)=CC(C(=O)O)=C1 Z0610 [0,1,0,0,0,1|1,1,0]=4 35 B12R1.11 CSC1=CC(F)=CC(C(=O)O)=C1 Z0609 [0,1,0,0,0,1|1,1,0]=4 36 B12R1.358 COC(=O)C1=CC(Cl)=NC(Br)=C1 Y0527 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.511 NC1=C(C(=O)O)C=C(Cl)C=C1F 1517AJ [0,1,0,0,0,1|2,0,0]=4 38 B12R1.111 O=C(O)C1=CC(Br)=C(B(O)O)S1 Z1405 [0,2,0,0,0,0|2,0,0]=4 39 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 W3217 [0,1,0,1,0,0|1,0,1]=4