0 B12R1.286 COC1=C(Cl)C=CC(CC#N)=C1 CS-W021406 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.189 CNCC1=CC(OC)=CC=C1 CS-D0558 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.189 COC1=CC(CCO)=CC=C1 CS-W008146 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.189 COC1=CC=CC(CC#N)=C1 CS-W007963 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.192 CNCC1=CC=C(O)C(O)=C1 CS-0059168 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 CS-W010737 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 CS-W005212 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.280 COC1=C(N)C=CC(C#N)=C1 CS-W006078 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.280 COC1=CC(C#N)=CC=C1O CS-0046224 [1,0,0,0,0,0|0,0,2]=3 9 B11R1.280 COC1=CC(OC)=C(N)C=N1 CS-0100549 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.280 CSC1=CC=C(O)C(C=O)=C1 CS-0015237 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.280 N#CC1=CC(CN)=CC=C1F CS-W022249 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.280 O=CC1=CC(CO)=CC=C1O CS-0102097 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.386 COC1=CC=C(CC#N)C=C1OC CS-0008419 [0,1,0,0,0,0|0,0,2]=3 14 B13R1.386 COC1=CC=C(CCN)C=C1OC CS-W023192 [0,1,0,0,0,0|0,0,0]=1 15 B13R2.449 BrCCC1=CC=C2OCCC2=C1 CS-M0163 [0,0,0,1,0,0|2,0,0]=3 16 B13R2.449 ClCCC1=CC=C2OCCC2=C1 CS-M1816 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.449 N#CCC1=CC=C2OCOC2=C1 CS-0033767 [0,0,0,1,0,0|0,0,2]=3 18 B13R2.449 NCCC1=CC=C2OCOC2=C1 CS-W021803 [0,0,0,1,0,0|0,0,0]=1 19 B10R1.10 OCCC1=CC(F)=CC=C1 CS-W021390 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.172 COC1=CC(CO)=NC=C1 CS-0030488 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.172 COC1=CC(OC)=NC=C1 CS-W018921 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.172 COC1=CC=CC(C=O)=C1 CS-W007346 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.172 COC1=CC=CC(CO)=N1 CS-W021123 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.172 NCC1=CC(CO)=CC=C1 CS-0094516 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.1 N#CCC1=CC=C(O)C=C1 CS-W016539 [2,0,0,0,0,0|0,0,2]=4 26 B10R1.1 NCCC1=CC=C(F)C=C1 CS-W018312 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.1 NCCC1=CC=C(N)C=C1 CS-W021984 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.1 NOCC1=CC=C(F)C=C1 CS-0043692 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.1 OC1=CC=C(CCBr)C=C1 CS-W004888 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.1 OCCC1=CC=C(Br)C=C1 CS-W004747 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.1 OCCC1=CC=C(I)C=C1 CS-W004990 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.176 CC1=CC=C(CN)C=C1C CS-0039163 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.176 CC1=CC=C(CO)C=C1C CS-0044039 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.176 COC1=CC(O)=C(C)C=C1 CS-W005841 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.176 COC1=CC=C(N)C(O)=C1 CS-0041564 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 CS-W017422 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 CS-0062988 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS-W006136 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.30 CC1=CC=C(O)C(C#N)=C1 CS-0100681 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.30 COC1=C(Br)C=CC(N)=N1 CS-W022333 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.30 COC1=C(Br)C=CC(O)=C1 CS-W008128 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.30 COC1=C(C)C=CC(Br)=C1 CS-W008193 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 CS-W005884 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS-W016214 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.30 COC1=C(Cl)N=CC(N)=C1 CS-0043913 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.30 COC1=C(F)C=CC(N)=C1 CS-W005619 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.30 COC1=C(O)C=CC(N)=C1 CS-W008263 [2,0,0,0,0,0|0,0,0]=2 48 B10R1.30 COC1=CC(Br)=CC=C1Br CS-0040073 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 COC1=CC(C)=CC=C1N CS-W021709 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.30 COC1=CC(C)=CC=C1O CS-W021711 [2,0,0,0,0,0|0,0,0]=2 51 B10R1.30 COC1=CC(Cl)=CC=C1N CS-0042669 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=CC(Cl)=CC=C1O CS-0096842 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.30 COC1=CC(I)=CC=C1Cl CS-0041284 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 COC1=NC(Br)=CC=C1O CS-0046307 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.30 COC1=NC(C)=CC=C1F CS-0096877 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.41 COC1=CC(F)=CC(CC#N)=C1 CS-W019340 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.270 COC1=CC(CC#N)=C(Br)C=C1 CS-0041927 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.382 CCNCC1=CC(OC)=CC=C1 CS-0038214 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 CS-W016884 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.56 COC1=CC(B(O)O)=CC=C1O CS-0044961 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1O CS-W005249 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.78 COC1=C(OC)C=C(NN)C=C1 CS-W006381 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.78 COC1=CC(OC)=C(CO)C=C1 CS-W007584 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 CS-W020102 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.78 COC1=CC=C(CN)C(OC)=C1 CS-W008632 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 CS-0043430 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC CS-M1302 [0,2,0,0,0,0|0,0,1]=3 68 B12R2.100 FC1=CC2=C(C=C1F)NCC2 CS-0040157 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 CS-W007484 [0,1,0,1,0,0|1,0,1]=4 70 B14R2.991 COCOC1=CC=C2OCOC2=C1 CS-M2923 [0,1,0,1,0,0|2,0,0]=4