0 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P4799 [1,0,0,0,0,0|1,0,0]=2 1 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,0,0,0|1,0,0]=2 2 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [0,0,1,0,0,0|2,0,1]=4 4 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [0,0,1,0,0,0|2,0,0]=3 5 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [0,0,1,0,0,0|2,0,0]=3 6 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [0,0,1,0,0,0|1,0,1]=3 7 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [0,0,1,0,0,0|1,0,0]=2 8 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [0,0,1,0,0,0|1,0,0]=2 9 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [0,0,1,0,0,0|2,0,1]=4 10 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [0,0,1,0,0,0|2,0,0]=3 11 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,1,0,0,0|2,0,0]=3 12 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,1,0,0,0|2,0,0]=3 13 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,1,0,0,0|2,0,0]=3 14 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,1,0,0,0|2,0,0]=3 15 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 P1975 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [0,0,1,0,0,0|2,0,0]=3 17 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [0,0,1,0,0,0|2,0,0]=3 18 B10R1.17 CCCCC1=CC=CN=C1 B11443 [0,0,1,0,0,0|2,0,0]=3 19 B10R1.17 CCCCC1=NC=CC=C1 B11448 [0,0,1,0,0,0|2,0,0]=3 20 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [0,0,1,0,0,0|2,0,0]=3 21 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.17 CNCCC1=CC=CC=C1 M12421 [0,0,1,0,0,0|2,0,0]=3 23 B10R1.17 CNCCC1=CC=NC=C1 M12425 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.17 CNCCC1=NC=CC=C1 B5398 [0,0,1,0,0,0|3,0,0]=4 25 B10R1.17 CNCCC1=NC=CC=C1 B6262 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [0,0,1,0,0,0|2,0,0]=3 27 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [0,0,1,0,0,0|2,0,0]=3 28 B10R1.17 NCCOC1=CC=CC=C1 P3356 [0,0,1,0,0,0|1,0,0]=2 29 B10R1.17 OCCOC1=CC=CC=C1 P2904 [0,0,1,0,0,0|2,0,0]=3 30 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [0,0,1,0,0,0|2,0,0]=3 31 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [0,0,1,0,0,0|1,0,1]=3 32 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.18 N=C(N)NC1=CC=CC=C1 P8891 [0,0,1,0,0,0|2,0,1]=4 35 B10R1.18 N=C(N)SC1=CC=CC=C1 P13914 [0,0,1,0,0,0|2,0,1]=4 36 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [0,0,1,0,0,0|2,0,1]=4 37 B10R1.18 NC(N)=NC1=CC=CC=C1 D8941 [0,0,1,0,0,0|2,0,1]=4 38 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [1,0,1,0,0,0|0,0,0]=2 40 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [1,0,1,0,0,0|0,0,0]=2 41 B9R1.6 N=C(N)C1=CC=CC=C1 B11293 [1,0,1,0,0,0|1,0,1]=4 42 B9R1.6 N=C(N)C1=CC=CC=C1 B13002 [1,0,1,0,0,0|1,0,1]=4 43 B9R1.6 N=C(N)C1=CC=CC=C1 T1538 [1,0,1,0,0,0|1,0,1]=4 44 B9R1.8 BrCCC1=CC=CC=C1 B1499 [1,0,1,0,0,0|1,0,0]=3 45 B9R1.8 BrCCC1=NC=CC=C1 B18468 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [1,0,1,0,0,0|1,0,0]=3 47 B9R1.8 CNCC1=CC=CC=C1 C12471 [1,0,1,0,0,0|1,0,0]=3 48 B9R1.8 CNCC1=CN=CC=C1 M13405 [1,0,1,0,0,0|2,0,0]=4 49 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [1,0,1,0,0,0|1,0,1]=4 50 B9R1.8 NCCC1=CC=CC=C1 P18797 [1,0,1,0,0,0|0,0,0]=2 51 B9R1.8 NCCC1=CC=CC=C1 P19425 [1,0,1,0,0,0|0,0,0]=2 52 B9R1.8 NCCC1=CC=CC=N1 P3233 [1,0,1,0,0,0|1,0,0]=3 53 B9R1.8 NCCC1=CC=CN=C1 A18111 [1,0,1,0,0,0|1,0,0]=3 54 B9R1.8 NCCC1=CC=NC=C1 A18195 [1,0,1,0,0,0|1,0,0]=3 55 B9R1.8 NCCC1=CN=CC=C1 A12910 [1,0,1,0,0,0|1,0,0]=3 56 B9R1.8 NNCC1=CC=CC=C1 B8798 [1,0,1,0,0,0|1,0,0]=3 57 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,1,0,0,0|1,0,0]=3 58 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,1,0,0,0|1,0,0]=3 59 B9R1.8 OCCC1=NC=CC=C1 P0121 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.12 CCC(C#N)C1=CC=CC=C1 P4793 [0,1,1,0,0,0|0,0,2]=4 61 B11R1.12 OCC(CO)C1=CC=CC=C1 P11674 [0,1,1,0,0,0|1,0,0]=3 62 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [0,1,1,0,0,0|1,0,0]=3 63 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A9264 [0,1,1,0,0,0|1,0,1]=4 67 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A8579 [0,1,1,0,0,0|1,0,1]=4 68 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [0,1,1,0,0,0|1,0,0]=3 69 B11R1.22 [C-]#[N+]C(C)C1=CC=C(Br)C=C1 B9443 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 A3766 [0,1,1,0,0,0|1,0,0]=3 71 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 P18879 [0,1,1,0,0,0|1,0,1]=4 72 B11R1.222 NCC(O)C1=CC=CC=C1Cl A14632 [0,1,1,0,0,0|1,0,0]=3 73 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 C18779 [0,1,1,0,0,0|2,0,0]=4 74 B11R1.1 CCCCC1=CC=C(N)C=C1 B1469 [0,1,1,0,0,0|1,0,0]=3 75 B11R1.1 CCCCC1=CC=C(S)C=C1 B7731 [0,1,1,0,0,0|1,0,0]=3 76 B11R1.1 CNCCC1=CC=C(O)C=C1 M14940 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.1 COCCC1=CC=C(O)C=C1 M0084 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C1057 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B9442 [0,1,1,0,0,0|0,0,2]=4 80 B11R1.1 NCCNC1=NC=C(Br)C=C1 A18232 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.1 NCCNC1=NC=C(Br)C=C1 B17568 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.1 [C-]#[N+]CCC1=CC=C(Br)C=C1 B9445 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.17 OCCSC1=C(Br)C=CC=C1 B10435 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.24 [C-]#[N+]CCC1=CC(Br)=CC=C1 B9444 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [0,1,1,0,0,0|1,0,1]=4 86 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [0,1,1,0,0,0|1,0,0]=3 87 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [0,1,1,0,0,0|1,0,0]=3 88 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,1,1,0,0,0|1,0,0]=3 90 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [0,1,1,0,0,0|0,0,0]=2 91 B11R1.91 N=C(N)CCC1=CN=CC=C1 P15961 [0,1,1,0,0,0|1,0,1]=4 92 B11R1.91 N=C(N)COC1=CC=CC=C1 P16903 [0,1,1,0,0,0|1,0,1]=4 93 B11R1.91 O=C(O)CCC1=CC=CC=C1 P11665 [0,1,1,0,0,0|1,0,1]=4 94 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [0,1,1,0,0,0|1,0,0]=3 95 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 T13930 [0,1,1,0,0,0|1,0,1]=4 96 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 B13672 [0,1,1,0,0,0|1,0,1]=4 97 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 C13729 [0,1,1,0,0,0|1,0,1]=4 98 B11R1.20 N=C(N)CC1=CC=C(I)C=C1 P13840 [0,1,1,0,0,0|1,0,1]=4 99 B11R1.86 CC1=CC=CC=C1CC(=N)N T13940 [0,1,1,0,0,0|1,0,1]=4 100 B11R1.157 CC1=CC=CC(CC(=N)N)=C1 T13941 [0,1,1,0,0,0|1,0,1]=4 101 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 C16713 [0,1,1,0,0,0|1,0,1]=4 102 B11R1.157 N=C(N)CC1=CC(F)=CC=C1 F14030 [0,1,1,0,0,0|1,0,1]=4 103 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 B7832 [0,1,1,0,0,0|2,0,0]=4 104 B11R2.34 ClC1=CC=C([C@H]2CO2)C=C1 C19012 [1,1,0,0,0,0|1,0,0]=3 105 B11R2.35 ClC1=CC(C2CO2)=CC=C1 C19156 [1,1,0,0,0,0|1,0,0]=3 106 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [0,0,1,1,0,0|0,0,2]=4 107 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [0,0,1,1,0,0|0,0,2]=4 108 B11R2.1 ClC1CCC2=CC=CC=C21 C17006 [0,0,1,1,0,0|2,0,0]=4 109 B11R2.1 NC1CCC2=CC=CC=C21 I17072 [0,0,1,1,0,0|2,0,0]=4 110 B11R2.1 OC1CCC2=CC=CC=C21 I17073 [0,0,1,1,0,0|2,0,0]=4 111 B11R2.20 C1=CC=C2COCCC2=C1 D11474 [0,0,1,1,0,0|2,0,0]=4 112 B11R2.20 C1=CC=C2OCCNC2=C1 B12887 [0,0,1,1,0,0|1,0,0]=3 113 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [0,0,1,1,0,0|2,0,0]=4 114 B11R2.20 C1=CN=C2CCCCC2=C1 C11016 [0,0,1,1,0,0|2,0,0]=4 115 B11R2.10 CC1CC2=CC=CC=C2N1 M1671 [0,0,1,1,0,0|0,0,0]=2 116 B11R2.10 N1C2=CC=CC=C2N=C1C M1656 [0,0,1,1,0,0|1,0,1]=4 117 B11R2.10 O=C1CC2=C(C=CC=C2)N1 O2191 [0,0,1,1,0,0|1,0,1]=4 118 B9R1.12 NCCCN1C=CN=C1 A4085 [0,0,1,0,1,0|2,0,0]=4 119 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 B11514 [0,0,0,0,0,2|2,0,0]=4 120 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P5888 [0,0,0,0,0,2|1,0,1]=4 121 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,0,0,2|1,0,1]=4 122 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 P4973 [0,0,0,0,0,2|1,0,1]=4 123 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 P8185 [0,0,0,0,0,2|1,0,1]=4 124 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P8825 [0,0,0,0,0,2|1,0,1]=4 125 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 P8186 [0,0,0,0,0,2|1,0,1]=4 126 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P8826 [0,0,0,0,0,2|1,0,1]=4