0 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.66 O=C(O)CCC1=CC=NO1 B049851 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.66 O=C(O)CCN1C=CC=N1 B040707 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.66 O=C(O)CCN1C=NC=N1 B048122 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.25 CNC(C)CCC1=CC=CO1 B020890 [0,1,0,0,0,0|1,0,1]=3 5 B11R1.25 COC(=O)CCN1C=NC=N1 B052609 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.35 CC(CN1C=CC=N1)C(=O)O B035833 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.75 CC1=CC=C(CNC(C)C)O1 B059716 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.75 CC1=CN(CCC(=O)O)N=C1 B015880 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.75 CC1=NN(CCC(=O)O)C=C1 B007160 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.75 CN1C=CC(CCC(=O)O)=N1 B028490 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.75 NC(=O)CCN1C=C(Br)C=N1 B039086 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.75 NC(=O)CCN1C=CC(Br)=N1 B052557 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.75 NC1=CN(CCC(=O)O)N=C1 B019322 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.75 NC1=CN(CCC(=O)O)N=C1 B039075 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.75 NC1=NN(CCC(=O)O)C=C1 B019313 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.75 NC1=NN(CCC(=O)O)C=C1 B039680 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.75 O=C(O)CCC1=CC(=O)NO1 B050830 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 B020864 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.75 O=C(O)CCN1C=C(Br)C=N1 B007208 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.75 O=C(O)CCN1C=C(Cl)C=N1 B007210 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.75 O=C(O)CCN1C=CC(Br)=N1 B050954 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.75 O=C(O)CCN1C=CC(I)=N1 B052572 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.77 CC(CC(=O)O)N1C=CC=N1 B058984 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.90 CC1=CC=NN1CCC(=O)O B007165 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.90 CN1N=CC=C1CCC(=O)O B028493 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.90 O=C(O)CCN1N=CC=C1Br B052563 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.90 O=C(O)CCN1N=CC=C1I B052575 [0,1,0,0,0,0|3,0,0]=4 28 B11R2.845 CC(=O)C1CC2C=CC1C2 B048560 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.13 CC(=O)CN1C=CC=N1 B021105 [0,0,0,0,1,0|2,0,0]=3 30 B9R1.13 CC(=O)CN1C=CN=C1 B039452 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,0,0,0,1,0|1,0,1]=3 32 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.172 FC(F)CNCC1=CC=CO1 B039768 [0,0,0,0,0,1|2,0,1]=4 37 B8R0.7 CC(=O)CCCOC=O B048519 [1,0,1,0,0,0|1,0,1]=4 38 B8R1.8 CCCC1=CC=CS1 B046363 [2,0,0,0,0,0|0,1,0]=3 39 B8R1.8 CCCN1C=CC=N1 B030577 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.8 NCCC1=CC=CO1 B029933 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.8 NCCC1=CC=CO1 B049455 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.16 CCNCC1=CC=C(C)O1 B059777 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.54 CC(=O)CN1C=C(Br)C=N1 B021112 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.54 CC(=O)CN1C=C(Br)C=N1 B034873 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.54 CC(=O)CN1C=C(C)C=N1 B037599 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.54 CC(=O)CN1C=CC(C)=N1 B020842 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [0,1,0,0,1,0|1,1,0]=4 49 B10R1.64 CC(=O)CN1N=CC=C1C B021106 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.105 O=C(O)CNCC1=CC=C(F)S1 B052768 [0,1,0,0,0,1|1,1,0]=4 55 B12R1.26 COC(=O)CCN1C=C(Br)C=N1 B045772 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.26 COC(=O)CCN1C=C(C)C=N1 B051177 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.26 COC(=O)CCN1C=C(Cl)C=N1 B016183 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.26 COC(=O)CCN1C=CC(Br)=N1 B052551 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.26 COC(=O)CCN1C=CC(C)=N1 B016175 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.26 COC(=O)CCN1C=CC(I)=N1 B052569 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.51 CCOC(=O)CCN1C=CC=N1 B035727 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 B048511 [0,2,0,0,0,0|0,0,2]=4 63 B12R1.108 COC(=O)C(C)CN1C=CC=N1 B035801 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.59 COC1=NOC(CCC(=O)O)=C1 B038200 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [0,0,0,0,0,2|2,0,0]=4 66 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [0,0,0,0,0,2|2,0,0]=4