0 B12R1.16 CCOC(=O)C1=NC=C(O)C=N1 AT23880 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [1,0,0,0,0,0|2,1,0]=4 4 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.22 O=C(CO)C1=CN=C(Cl)C=C1 C91057 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.29 NC1=CC=C(S(=O)(=O)CCO)C=C1 C15919 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.466 CCOC(=O)C1=CC=C(N)C(I)=N1 D85820 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.466 CCOC(=O)C1=CN=C(F)C(N)=C1 AT14235 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.466 CCOC(=O)C1=NC(N)=C(Br)C=C1 AT19226 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1N 78746 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.1511 NC1=C(C(=O)CCCl)C=CC(Br)=C1 80091 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.2986 NC1=CC=C(C2(N)CCC2)C=C1 AC3598 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.5179 O=C1C=C2CCCC(=O)C2=CN1 AC7991 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.5179 O=C1CCSC2=C1C=CC(F)=C2 74748 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.5179 O=C1CNCC2=C1C=CC(Br)=C2 AT26200 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.5179 O=C1COCC2=C1C=CC(Cl)=C2 AT26633 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.5179 O=C1NCCC2=C1C=CC(O)=N2 89004 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.5179 OB1OCCC2=C1C=CC(F)=C2 E72977 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=C(Cl)C=C2 D72989 [0,0,0,1,0,0|2,0,0]=3 21 B11R1.15 CCOC(=O)C1=CC(=O)CC1 AC9467 [0,0,0,0,1,0|1,0,2]=4 22 B11R1.15 CCOC(=O)C1=CN=C(I)O1 C91096 [0,0,0,0,1,0|3,0,0]=4 23 B13R1.19 CCOC(=O)CC1=NC=C(N)N=C1 96606 [0,0,0,0,0,1|2,0,0]=3 24 B13R1.19 CCOC(=O)CC1=NC=C(O)C=N1 P14062 [0,0,0,0,0,1|3,0,0]=4 25 B13R1.19 CCOC(=O)NC1=CC=C(Br)C=C1 D86004 [0,0,0,0,0,1|1,0,0]=2 26 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.17 CCOC(=O)C1=NC(O)=NC=C1 C90447 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.308 CCOC(=O)C1=NN=CC=C1C P12979 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.5 C#CC1=CC=C(C(=O)NC)C=C1 D75637 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 P12852 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 P14737 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.367 CCC(=O)C1=CC(Cl)=C(O)C=C1 AT26585 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=N1 AT24932 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.367 COC(=O)C1=CN=C(Br)C(Br)=C1 AT24221 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 D85762 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 AT14218 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.367 COC(=O)C1=CN=C(F)C(N)=C1 AT14234 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.367 COC(=O)C1=CN=C(I)C(F)=C1 AT24237 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 89605 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.367 COC(=O)C1=NC=C(O)C(C)=C1 P12287 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.1703 COC(=O)C1=C(I)C=C(Br)C=N1 AT22218 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)N=C1 AT19633 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.1703 COC(=O)C1=NC=C(O)C=C1C AC8222 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.312 CCOC(=O)C1=CC=C(CC)N1 D75268 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.312 CCOC(=O)C1=CN=C(CN)O1 AT24045 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.312 CCOC(=O)C1=CSC(CN)=C1 D87755 [0,1,0,0,1,0|1,0,0]=3 51 B14R1.967 CCOC(=O)CC1=CC(Br)=C(Cl)C=N1 AC9263 [0,1,0,0,0,1|2,0,0]=4 52 B14R1.6823 CCOC(=O)CC1=C(Br)C=C(F)C=N1 AT25314 [0,1,0,0,0,1|2,0,0]=4 53 B14R1.6823 CCOC(=O)CC1=C(C)N=C(Cl)C=C1 AT13331 [0,1,0,0,0,1|2,0,0]=4 54 B14R1.6823 CCOC(=O)CC1=CN=C(Cl)C=C1C AT13333 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.610 CCOC(=O)C1=CN=C([N+](=O)[O-])C=C1 W13505 [0,2,0,0,0,0|1,0,1]=4 56 B14R1.628 CCOC(=O)C1=CC(Cl)=C(CCl)N=C1 CL0328 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.7234 C=CC1=CC(Br)=C(C(=O)OCC)C=C1 D77020 [0,2,0,0,0,0|1,0,0]=3 58 B14R1.7264 CCOC(=O)C1=C(Cl)C=C(F)C(N)=C1 AT20084 [0,2,0,0,0,0|1,0,0]=3 59 B14R1.7265 CCOC(=O)C1=C(C)C(Br)=C(C)N=C1 AC9516 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.7265 CCOC(=O)C1=C(C)C(N)=C(C)N=C1 AC9406 [0,2,0,0,0,0|2,0,0]=4 61 B14R1.7265 CCOC(=O)C1=CC=C(F)C(O)=C1F AT22311 [0,2,0,0,0,0|1,0,0]=3 62 B12R2.24 NC1=CC2=C(C=C1)COCC2 W16156 [1,0,0,1,0,0|0,0,1]=3 63 B12R2.2302 NC1=CC=C(C2CCC2)C=C1 D85595 [1,0,0,1,0,0|1,0,1]=4 64 B12R2.2302 NC1=CC=C([C@@H]2CCO2)C=C1 AT23927 [1,0,0,1,0,0|0,0,1]=3 65 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 AC2727 [1,0,0,1,0,0|1,0,1]=4 66 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [1,0,0,1,0,0|1,0,0]=3 67 B12R2.612 NC1=CN=C2C(=O)OCC2=C1 AT26563 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 D72218 [1,0,0,1,0,0|2,0,0]=4 69 B12R2.612 O=C1CCC2=CC(Cl)=NC=C12 AT11786 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.106 CCOC1=NC2=C(C=C(O)C=C2)S1 D73493 [0,0,0,1,0,1|1,1,0]=4 72 B14R2.68 NC1=CC=C([C@@H]2CNCCO2)C=C1 F18857 [0,1,0,1,0,0|1,0,1]=4 73 B14R2.68 NC1=CC=C([C@@H]2CNCCO2)C=C1 F18913 [0,1,0,1,0,0|1,0,1]=4 74 B14R2.68 NC1=CC=C([C@@H]2COCCO2)C=C1 AT22717 [0,1,0,1,0,0|0,0,2]=4 75 B14R2.68 NC1=CC=C([C@@H]2COCCO2)C=C1 AT22718 [0,1,0,1,0,0|0,0,2]=4 76 B14R2.8719 O=C1CCCCC2=C1C=CC(O)=C2 AT10258 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.8719 O=C1CCCSC2=C1C=CC(O)=C2 D73672 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.8719 O=C1CCOCC2=C1C=CC(Br)=C2 AT16080 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.8719 O=C1NCCNC2=C1C=CC(Br)=C2 AT21570 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.8719 O=C1NCCOC2=C1C=CC(Br)=C2 AT16071 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.10606 O=C(C1=CC=C(F)C=C1)C2CNC2 P12835 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.938 N=[S@@](=O)(C1=CC=C(N)C=C1)C2CC2 C92603 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(O)C=C2 32114 [0,1,0,1,0,0|2,0,0]=4 84 B14R2.8732 CC1(C)OC(=O)C2=C1C=C(N)C=C2 AT25891 [0,1,0,1,0,0|0,0,0]=2 85 B14R2.8732 CC1(C)OC(=O)C2=C1C=C(N)C=C2 AT25893 [0,1,0,1,0,0|0,0,0]=2 86 B14R2.8732 CC1(C)OC(=O)C2=C1N=C(N)C=C2 AT25894 [0,1,0,1,0,0|1,0,0]=3 87 B14R2.29365 C[C@H]1CC2=C(C=CC(Br)=C2)C(=O)N1 O11545 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.8038 O=C1CCCC2=C1C=CC(O)=C2Cl Y14188 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.28472 NC1=C(F)C=C2CCNC(=O)C2=C1 AT19616 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.28472 O=C1NCCC2=CC(F)=C(Br)C=C12 AT16346 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.14 CCC(=O)C1=NOC(N)=C1 88478 [1,0,0,0,1,0|2,0,0]=4 92 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [1,0,0,0,1,0|2,0,0]=4 93 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [1,0,0,0,1,0|2,0,0]=4