0 B11R1.53 COC1=C(C(C)=O)C=NC=C1 SPC-s730 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 COC1=C(C=O)C=CC=N1 SPC-g793 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.20 COC1=NC=CC=C1CN SPC-j644 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.20 COC1=NC=CC=C1CO SPC-j643 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 SPC-n891 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.61 CC(=O)C1=C(F)C=CC=N1 SPC-j546 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.61 CC(=O)C1=C(N)N=CC=C1 SPC-r191 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.61 CC(=O)C1=CC=CN=C1Cl SPC-j606 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.61 CC(=O)C1=NC=CN=C1Cl SPC-m051 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 SPC-g293 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] SPC-p404 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.61 CC1=CN=CN=C1C(=O)O SPC-t697 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.61 CC1=NC=CN=C1C(=O)O SPC-j734 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.61 NC1=CC=CN=C1C(=O)O SPC-g425 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.61 O=C(O)C1=C(F)C=CC=N1 SPC-g454 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.61 O=C(O)C1=CC=CN=C1Br SPC-m969 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.61 O=C(O)C1=NC=CC=C1O SPC-k065 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.61 O=C(O)C1=NC=CN=C1Cl SPC-j425 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.61 O=C(O)C1=NC=CN=C1O SPC-g411 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O SPC-k091 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SPC-h229 [0,0,0,1,0,0|1,0,0]=2 21 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [0,0,0,1,0,0|3,0,0]=4 23 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] SPC-q247 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.15 CC1=C(C=O)C=CC=N1 SPC-m999 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.15 CC1=C(CBr)C=CC=N1 SPC-s887 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 CC1=NC=CN=C1CCl SPC-r108 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.15 CC1=NC=CN=C1CO SPC-m052 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.15 NC1=C(C=O)C=CC=N1 SPC-r422 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.15 NC1=NC=CN=C1C=O SPC-j177 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.15 O=CC1=CC=CN=C1Cl SPC-g097 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 O=CC1=NC=CC=C1O SPC-m154 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.15 OCC1=NC=CN=C1Cl SPC-m584 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.37 COC1=NC=C(Br)C=C1C=O SPC-j666 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.156 CC1=CC=NC(C)=C1C(=O)O SPC-u166 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O SPC-u228 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O SPC-p660 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl SPC-m047 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.167 CC(=O)C1=CC(Br)=CN=C1F SPC-j994 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 SPC-n249 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.167 CC1=C(C(=O)O)N=C(Cl)C=C1 SPC-t888 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.167 O=C(O)C1=NC(Br)=CN=C1Br SPC-r106 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br SPC-r109 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SPC-g251 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.222 COC(=O)C1=C(N)N=CC=C1 SPC-t201 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.222 COC(=O)C1=CC=CN=C1Br SPC-g889 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.222 COC(=O)C1=NC=CN=C1Br SPC-t213 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.222 COC(=O)C1=NC=CN=C1Cl SPC-m475 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.222 COC(=O)C1=NC=CN=C1F SPC-n435 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.222 COC(=O)C1=NC=CN=C1N SPC-k261 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.49 CCN1N=C(C)C=C1C(=O)O SPC-h084 [0,1,0,0,1,0|2,0,0]=4 56 B13R1.2209 COC(=O)C1=C(OC)C=CC(Br)=N1 SPC-v370 [0,2,0,0,0,0|2,0,0]=4 57 B11R2.1 CC1=NNC2=NC=CN=C12 SPC-k120 [1,0,0,1,0,0|2,0,0]=4 58 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [1,0,0,1,0,0|1,0,0]=3 59 B11R2.106 O=C1CCCC2=C1C=CN2 SPC-s307 [0,0,0,1,1,0|0,0,1]=3 60 B11R2.106 O=C1NCCC2=C1C=CN2 SPC-s173 [0,0,0,1,1,0|1,0,1]=4 61 B11R2.106 O=C1NCCC2=C1C=CO2 SPC-s343 [0,0,0,1,1,0|2,0,0]=4 62 B11R2.106 O=C1NCCC2=C1SC=C2 SPC-s344 [0,0,0,1,1,0|2,0,0]=4 63 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 SPC-q547 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.371 N[C@H]1CC[C@@H](N)C2=NC=CN=C21 SPC-w172 [0,1,0,1,0,0|1,0,1]=4 65 B9R1.14 COC1=C(C=O)C=CS1 SPC-n025 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.41 CC(=O)C1=NC=CN1C SPC-h495 [1,0,0,0,1,0|1,0,0]=3 67 B9R1.41 CN1N=CC=C1C(=O)O SPC-g327 [1,0,0,0,1,0|2,0,0]=4