0 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CNCC1=NC=CN=C1 B050431 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.1 NCCCC1=CC=C(Cl)C=C1 B049887 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.16 CC(N=C=O)C1=CC=CC=C1 B028614 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.16 OC(C#CBr)C1=CC=CC=C1 B049488 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.17 NC1=CC=CC=C1OCCO B030703 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.17 NCCCC1=CC=CC=C1Cl B049213 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.24 CC1=CC=CC(OCCN)=C1 B050095 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.12 CCNCC1=NC=CN1 B059759 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.12 CCNCC1=NC=CS1 B059748 [0,0,0,0,1,0|3,0,0]=4 18 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,0]=3 19 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|1,0,0]=3 20 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [1,1,0,0,0,0|1,0,0]=3 21 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|0,0,0]=2 23 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.11 CCOC(C)N1C=CC=N1 B051262 [0,1,0,0,1,0|2,0,0]=4 26 B10R1.16 CCNCC1=CC=C(C)O1 B059777 [0,1,0,0,1,0|2,0,0]=4 27 B10R1.16 CCNCC1=CC=C(F)S1 B052764 [0,1,0,0,1,0|2,0,0]=4 28 B10R1.16 CCOCC1=NN(C)C=C1 B057328 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.16 CCOCN1C=C(N)C=N1 B020643 [0,1,0,0,1,0|2,0,0]=4 30 B10R1.21 OCCNCC1=CC=CS1 B059672 [0,1,0,0,1,0|2,0,0]=4 31 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.29 CCOCC1=CC=NN1C B057768 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,1,0,0,1,0|2,0,0]=4 34 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 B048536 [0,2,0,0,0,0|1,0,1]=4 35 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 B059712 [0,2,0,0,0,0|1,0,0]=3 36 B12R1.71 COC1=CC=C(CCCN)C=C1 B049843 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 B049655 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 B030337 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 B059710 [0,2,0,0,0,0|1,0,0]=3 40 B12R1.267 CCCCOC1=C(N)C=CC=C1 B048532 [0,2,0,0,0,0|1,0,0]=3 41 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 B059714 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 B059711 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.382 CCCOC1=CC=CC(C=O)=C1 B000272 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.382 COC1=CC(CCCN)=CC=C1 B049845 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.8 NCCCNCC1=CC=CC=C1 B035593 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.252 FC(F)CNCC1=CC=CC=C1 B039737 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,2,0,0,0,0|1,0,1]=4 48 B12R2.24 CC1=CC2=C(C=C1)NCCC2 B039264 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [0,1,0,1,0,0|1,0,0]=3 50 B12R2.1081 CC1=CC=CC2=C1NCCC2 B016010 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.1081 NC1=CC=CC2=C1CCCC2 B049826 [0,1,0,1,0,0|1,0,0]=3 52 B12R2.1081 OC1=CC=CC2=C1NCCC2 B050304 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.32 NCC1CC2=CC=CC=C2O1 B049791 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 B050678 [0,1,0,1,0,0|1,0,1]=4 55 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 B039577 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|1,0,0]=3 57 B8R1.8 CCCN1C=CC=N1 B030577 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.8 CCCN1C=CN=C1 B046400 [1,0,0,0,1,0|2,0,0]=4 59 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|2,0,0]=4 60 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|2,0,0]=4