0 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 B8220 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 B7666 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.16 CCOC(=O)C1=CC=CN=C1 E0301 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.16 CCOC(=O)C1=CC=CN=C1 E0301 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.16 CCOC(=O)C1=CC=NC=C1 E2195 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)C1=CN=CN=C1 E15175 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.16 CCOC(=O)C1=NC=NC=C1 E14660 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 O=C(CCCl)C1=CC=CC=C1 C4696 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.16 O=C(NCO)C1=CC=CN=C1 H1222 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.91 CC(N)CCC1=CC=CC=C1 M0184 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.132 CC(C)OC(=O)C1=CC=C(O)C=C1 I3188 [0,1,0,0,0,0|0,0,0]=1 11 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M1949 [0,0,0,1,0,0|1,0,1]=3 12 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 H7527 [0,0,0,1,0,0|1,0,1]=3 13 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 I16602 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.12159 O=C1OS(=O)(=O)C2=CC=CC=C12 S16664 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.12159 O=C1O[IH2+]([O-])(O)C2=CC=CC=C12 H13416 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,0,0,0,1,0|1,0,0]=2 17 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,0,0,0,1,0|1,0,0]=2 18 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [2,0,0,0,0,0|0,0,0]=2 19 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.15 COC(=O)C1=CC=CN=C1 M0305 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.15 COC(=O)C1=NC=CC=N1 M12247 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.15 COC(=O)C1=NC=CN=C1 P2313 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.15 O=C(CBr)C1=CC=CN=C1 B18473 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C3843 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H5061 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E3211 [1,1,0,0,0,0|0,0,0]=2 31 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E2355 [1,1,0,0,0,0|0,0,0]=2 32 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 B1320 [1,1,0,0,0,0|0,0,0]=2 33 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 E9097 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E8424 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E16002 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B3795 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 D3857 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 E2895 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 E11148 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.17 CCOC(=O)C1=CC=CC(N)=C1 E7671 [1,1,0,0,0,0|0,0,0]=2 41 B12R1.17 CCOC(=O)C1=CC=CC(N)=N1 A14715 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=C1 E17359 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.17 CCOC(=O)C1=CN=CC(N)=C1 A15168 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M7621 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 H7637 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 A15138 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 H14849 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 H15787 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E2715 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.308 CCOC(=O)C1=CC=CN=C1N A14508 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.308 CCOC(=O)C1=CC=NC=C1O E16239 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.308 CCOC(=O)C1=NC=CC=C1N A15062 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.27 CC(CO)NCC1=CC=CC=C1 B14686 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 C3480 [0,1,0,0,1,0|1,0,1]=4 55 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C8308 [0,1,0,0,1,0|0,0,0]=2 56 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)N=C1 C16135 [0,1,0,0,1,0|1,0,0]=3 57 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl C15617 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 B10178 [0,1,0,0,1,0|0,0,0]=2 59 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 D7600 [0,1,0,0,1,0|1,0,1]=4 60 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)Cl C8620 [0,1,0,0,1,0|2,0,0]=4 61 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 A15292 [0,1,0,0,0,1|1,0,0]=3 62 B14R1.5978 CC(C)OC(=O)NC1=CC(Cl)=CC=C1 I0800 [0,1,0,0,0,1|0,0,0]=2 63 B14R1.2 C(=O)C1=CC=C(C(=O)NC(C)C)C=C1 C1624 [0,2,0,0,0,0|1,0,0]=3 64 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)C=C1 T8737 [0,2,0,0,0,0|0,0,0]=2 65 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)C=C1 T8737 [0,2,0,0,0,0|0,0,0]=2 66 B14R1.685 CC1=CC=C(C(=O)OC(C)C)C=C1N I8741 [0,2,0,0,0,0|0,0,0]=2 67 B14R1.6048 CC(C)OC(=O)C1=CN=C(Cl)N=C1Cl S19371 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.6048 CC(C)OC(=O)C1=CN=C(Cl)N=C1Cl S19371 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.5966 CC(C)(C)OC(=O)C1=CC=NC(Cl)=C1 C9615 [0,2,0,0,0,0|1,0,0]=3 70 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 P14087 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.1081 O=C1CCCC2=C1C=CC=N2 T13200 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D19323 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 O=C1CCCC2=C1N=CC=C2 D11093 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 P16660 [1,0,0,1,0,0|1,0,1]=4 75 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 B9580 [1,0,0,1,0,0|1,0,0]=3 76 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11609 [0,0,0,1,1,0|2,0,0]=4 77 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11610 [0,0,0,1,1,0|2,0,0]=4 78 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O I12742 [0,0,0,1,1,0|1,0,1]=4 79 B14R2.403 CC1(C)COC(C2=CN=CC=C2)=N1 D8071 [0,0,0,1,0,1|2,0,0]=4 80 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 D17959 [0,0,0,1,0,1|1,0,0]=3 81 B14R2.8045 CC1=NC2=C(Br)C=CC=C2C(=O)O1 B19361 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.11 CCCC(=O)C1=CC=CS1 T16407 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.11 CCOC(=O)C1=CC=CN1 E4104 [1,0,0,0,1,0|1,0,0]=3 84 B10R1.11 CCOC(=O)C1=CC=CS1 E7422 [1,0,0,0,1,0|1,0,0]=3 85 B10R1.11 CCOC(=O)C1=CNC=N1 E12833 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.11 CCOC(=O)C1=CNC=N1 E12833 [1,0,0,0,1,0|2,0,0]=4 87 B10R1.11 CCOC(=O)C1=CSC=N1 E15150 [1,0,0,0,1,0|2,0,0]=4 88 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [1,0,0,0,1,0|1,0,1]=4 89 B12R1.32 CCCC(=O)OC1=CC=CC=C1 P7639 [1,0,0,0,0,1|1,0,0]=3 90 B12R1.32 CNCC(=O)CC1=CC=CC=C1 M5866 [1,0,0,0,0,1|2,0,0]=4