0 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 SPC-k198 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 SPC-s483 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 SPC-g754 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.59 CC1=NN(C)C=C1C(=O)O SPC-m505 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.59 CN1N=C(Cl)C=C1C(=O)O SPC-j832 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=CC(N)=NN1 SPC-n888 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC(=O)C1=CN=C(N)S1 SPC-n879 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.35 CC(=O)C1=CSC(Cl)=C1 SPC-h825 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.35 CC1=CSC(C(=O)O)=C1 SPC-n156 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CC1=NNC(C(=O)O)=C1 SPC-k758 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 CN1C=C(C(=O)O)C=N1 SPC-g547 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 NC1=NC(C(=O)O)=CO1 SPC-k774 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 O=C(O)C1=CSC(Br)=C1 SPC-t048 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.35 O=C(O)C1=CSC(Cl)=C1 SPC-j712 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.41 CC(=O)C1=NC=CN1C SPC-h495 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.41 CC1=CSC=C1C(=O)O SPC-r375 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.41 CN1N=CC=C1C(=O)O SPC-g327 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.41 NC1=C(C(=O)O)C=CS1 SPC-t631 [1,0,0,0,0,0|2,1,0]=4 18 B11R1.49 CCN1N=C(C)C=C1C(=O)O SPC-h084 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.225 COC(=O)C1=CC(Br)=CN1C SPC-r255 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.225 COC(=O)C1=CC(Cl)=NN1C SPC-h546 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.225 COC(=O)C1=CC(N)=NN1C SPC-v082 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 SPC-s862 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 SPC-m595 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.166 CC(=O)C1=C(Cl)N=C(Cl)N=C1 SPC-n878 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 SPC-r400 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 SPC-k301 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O SPC-p660 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 SPC-p379 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 SPC-g171 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.166 CC1=NC(N)=C(C(=O)O)C=C1 SPC-j816 [0,0,0,0,0,1|3,0,0]=4 31 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F SPC-j994 [0,0,0,0,0,1|3,0,0]=4 32 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 SPC-k299 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 SPC-u756 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 SPC-g542 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 SPC-j717 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.645 CC1=NC(C)=C(CC(=O)O)S1 SPC-m420 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.1 CC1=CC(C=O)=CS1 SPC-k319 [2,0,0,0,0,0|0,1,0]=3 38 B8R1.1 CN1C=C(C=O)C=N1 SPC-g577 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.1 O=CC1=CSC(Br)=C1 SPC-r371 [2,0,0,0,0,0|1,1,0]=4 40 B8R1.1 O=CC1=CSC(Cl)=C1 SPC-j711 [2,0,0,0,0,0|1,1,0]=4 41 B8R1.11 CC1=CSC=C1C=O SPC-p593 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.11 CC1=NNC=C1C=O SPC-t795 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.11 CN1N=CC=C1C=O SPC-r412 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.7 CC(=O)C1=CNN=C1 SPC-h422 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.7 CC(=O)C1=CSC=C1 SPC-g143 [2,0,0,0,0,0|0,1,0]=3 46 B8R1.7 O=C(O)C1=COC=C1 SPC-n400 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.7 O=C(O)C1=COC=N1 SPC-g687 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.14 COC(=O)C1=COC(N)=N1 SPC-q996 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.14 COC(=O)C1=CSC(Cl)=C1 SPC-k869 [1,1,0,0,0,0|1,1,0]=4 50 B10R1.149 COC(=O)C1=C(C)C=CN1 SPC-m282 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.149 COC(=O)C1=C(N)SC=C1 SPC-j616 [1,1,0,0,0,0|1,1,0]=4 52 B10R1.149 COC(=O)C1=CC=NN1C SPC-g896 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.149 COC(=O)C1=CNC=C1C SPC-k047 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.358 COC(=O)C1=CC(Br)=NC(C)=C1 SPC-m430 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 SPC-g450 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.452 CSC1=NC(N)=C(C(C)=O)C=N1 SPC-m713 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.1000 CC1=CC(C)=C(C(N)=O)C(Cl)=N1 SPC-m973 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 SPC-u789 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.313 CCOC(=O)C1=C(N)NC(C)=C1 SPC-i569 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.313 CCOC(=O)C1=CC(C)=NN1C SPC-g403 [0,2,0,0,0,0|2,0,0]=4 61 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SPC-g292 [0,0,0,1,0,1|2,0,0]=4 62 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 SPC-g641 [0,0,0,1,0,1|2,0,0]=4 63 B12R2.202 O=C1NCCC2=C1C=C(Br)S2 SPC-m461 [0,1,0,1,0,0|1,1,0]=4 64 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 SPC-v154 [1,0,0,0,0,1|2,0,0]=4 65 B10R1.13 CC1=CN=C(C(=O)O)C=N1 SPC-h803 [1,0,0,0,0,1|2,0,0]=4 66 B10R1.13 CC1=NC=C(C(=O)O)C=N1 SPC-t870 [1,0,0,0,0,1|2,0,0]=4 67 B10R1.13 O=C1C=CC(C(=O)O)=CO1 SPC-k150 [1,0,0,0,0,1|2,0,0]=4