0 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.3 N#CC1=CC=C(CCl)C=C1 B030136 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 B006607 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 B006610 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 B006173 [0,1,0,0,0,0|1,0,0]=2 12 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,0,0,0,1,0|2,0,1]=4 13 B10R1.31 CC(C)C1=CC(CCl)=NO1 B037430 [0,0,0,0,1,0|3,0,0]=4 14 B10R1.31 CC(C)C1=CC(CO)=NO1 B037517 [0,0,0,0,1,0|2,0,0]=3 15 B10R1.31 CC(C)C1=NNC(CO)=C1 B047367 [0,0,0,0,1,0|2,0,0]=3 16 B10R1.31 CC(C)C1=NOC(CCl)=C1 B036500 [0,0,0,0,1,0|3,0,0]=4 17 B10R1.31 CC(C)C1=NOC(CN)=C1 B038104 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.31 CC(C)C1=NOC(CO)=C1 B037981 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.31 CC(C)N1C=CC(CBr)=N1 B052542 [0,0,0,0,1,0|3,0,0]=4 20 B10R1.31 CC(C)N1C=CC(CCl)=N1 B047408 [0,0,0,0,1,0|3,0,0]=4 21 B10R1.31 CC(C)N1C=CC(CN)=N1 B047635 [0,0,0,0,1,0|3,0,0]=4 22 B10R1.31 CC(C)N1C=CC(CO)=N1 B047392 [0,0,0,0,1,0|2,0,0]=3 23 B10R1.31 CCN1C=CC(C(C)C)=N1 B047598 [0,0,0,0,1,0|3,0,0]=4 24 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 B000275 [0,0,0,0,0,1|0,0,2]=3 25 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 B059691 [0,0,0,0,0,1|2,0,0]=3 26 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.279 COC1=C(O)C=C(CN)C=C1 B048498 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.166 CN(C)C1=CC=C(Br)C=C1N B039646 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.48 CC(C)C1=NN(C)C(CO)=C1 B037923 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.48 CC(C)N1C=C(Br)C(CO)=N1 B062137 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.48 CC(C)N1C=C(Cl)C(CO)=N1 B062131 [0,1,0,0,1,0|2,0,0]=4 37 B11R1.48 CC(C)N1C=C(I)C(CO)=N1 B062145 [0,1,0,0,1,0|2,0,0]=4 38 B11R1.124 COCC1=NN(C(C)C)C=C1 B057317 [0,1,0,0,1,0|2,0,0]=4 39 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 B007509 [0,1,0,0,1,0|1,0,1]=4 40 B11R1.175 CC(C)C1=CC=C(C(=O)O)S1 B029943 [0,1,0,0,1,0|1,0,1]=4 41 B13R1.142 CNCC1=CC=C(CN(C)C)C=C1 B059694 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 B059687 [0,1,0,0,0,1|1,0,1]=4 43 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 B006609 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.537 CCC(C)C1=CC=C(C(C)N)C=C1 B051482 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.338 CC(N)C1=CC=C(C(C)(C)C)C=C1 B007456 [0,2,0,0,0,0|1,0,0]=3 46 B11R2.21 OCC1=CC(C2CC2)=NO1 B047203 [0,0,0,1,1,0|2,0,0]=4 47 B11R2.21 OCC1=NNC(C2CC2)=C1 B051835 [0,0,0,1,1,0|2,0,0]=4 48 B11R2.21 OCC1=NOC(C2CC2)=C1 B047450 [0,0,0,1,1,0|2,0,0]=4 49 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 B014647 [0,1,0,1,0,0|1,0,0]=3 50 B9R1.21 CCN1C=C(CO)C=N1 B000982 [1,0,0,0,1,0|2,0,0]=4 51 B9R1.21 CCN1C=CC(CO)=N1 B037316 [1,0,0,0,1,0|2,0,0]=4 52 B9R1.35 CC1=CN(C(C)C)C=N1 B052661 [1,0,0,0,1,0|2,0,0]=4 53 B9R1.35 CC1=NN(C(C)C)C=C1 B035923 [1,0,0,0,1,0|2,0,0]=4 54 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 B000265 [0,0,0,0,0,2|0,0,2]=4 55 B13R1.3 CC(C)CSC1=CC=C(C=O)C=C1 B022080 [0,0,0,0,0,2|0,0,2]=4 56 B13R1.3 OCC1=CC=C(OCC(F)F)C=C1 B059213 [0,0,0,0,0,2|2,0,0]=4