0 B10R1.58 CC1=C(C)OC(C(=O)O)=C1 BTB08890 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.58 CC1=CC(C(=O)Cl)=NN1C CC12602 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.58 CC1=CC(C(=O)O)=NN1C CC12601 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [1,0,0,0,0,0|1,1,0]=3 4 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 CC1=CC(C(=O)Cl)=NO1 CC10402 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 CC1=NOC(C(=O)Cl)=C1 CC27002 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.35 CC1=NOC(C(=O)O)=C1 CC27001 [1,0,0,0,0,0|1,1,0]=3 14 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.35 O=C(O)C1=CN=C(Cl)S1 CC62901 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.79 O=S(=O)(Cl)C1=CC(Br)=C(Cl)S1 SEW02652 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.226 COC(=O)C1=CC(C)=C(Br)S1 CC29010 [0,1,0,0,0,0|0,1,0]=2 19 B11R1.672 CC1=CC(C(=O)O)=C(C)N1C CC08601 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1Cl BTB09487 [0,0,0,0,0,1|2,0,1]=4 21 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.74 CC1=CC(C(=O)O)=CC(O)=N1 MO00027 [0,0,0,0,0,1|2,0,0]=3 23 B11R1.74 CC1=NC(Cl)=CC(C(=O)O)=C1 RF03759 [0,0,0,0,0,1|1,0,0]=2 24 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 MO07975 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 SB00524 [0,0,0,0,0,1|3,0,0]=4 26 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.1 CC1=CSC(CN)=C1 CC30613 [2,0,0,0,0,0|1,0,1]=4 28 B8R1.1 CN1C=NC(C=O)=C1 CC03604 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.1 O=CC1=CC=C(Cl)S1 SEW03796 [2,0,0,0,0,0|0,0,0]=2 30 B8R1.1 OCC1=CC(Br)=CS1 CC28509 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [2,0,0,0,0,0|1,1,0]=4 32 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.14 COC(=O)C1=CN(C)C=N1 CC03622 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.14 COC(=O)C1=NOC(C)=C1 CC10422 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.31 CC(=O)C1=CC=C(C#N)S1 TL00354 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.31 CC(=O)C1=CC=C(C=O)S1 MO01240 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 MO00751 [1,1,0,0,0,0|1,1,0]=4 42 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CC12501 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.232 O=C(O)C1=CC(F)=C(Cl)N=C1Cl MO07724 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 TL00703 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.11 COC1=NC(Cl)=CC(C(=O)O)=C1 RF03693 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.358 COC(=O)C1=CC(C)=NC(Cl)=N1 SPB06334 [0,1,0,0,0,1|1,0,0]=3 48 B12R1.358 COC(=O)C1=CC(Cl)=CC(Cl)=C1 KM02512 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 SPB05937 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.362 COC(=O)C1=C(O)C(Br)=C(Br)S1 GK01947 [0,2,0,0,0,0|1,1,0]=4 51 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [0,0,1,1,0,0|2,0,0]=4