0 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.15 COC(=O)C1=CC=CN=C1 M0305 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 COC(=O)C1=NC=CC=N1 M12247 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 COC(=O)C1=NC=CN=C1 P2313 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 C\C(=N/O)C1=CC=CN=C1 P17578 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 C\C(=N\O)C1=NC=CC=C1 P13970 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 N=C(NN)C1=CC=NC=C1 P17572 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.15 NNC(=O)C1=CC=NC=C1 I1876 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 N\C(=N/O)C1=CC=CN=C1 P13005 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.15 N\C(=N\O)C1=CC=CC=C1 B13505 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 N\C(=N\O)C1=CC=NC=C1 H13808 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.15 N\C(=N\O)C1=NC=CC=C1 H13805 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 N\N=C(\N)C1=CC=NC=C1 P13010 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 O=C(CBr)C1=CC=CN=C1 B18473 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.15 O=C(O[Na])C1=NC=NC=C1 P14937 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 P1975 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.6 CC(=O)C1=CN=CC=C1 P2763 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.6 CC(=O)C1=CN=CC=N1 A0581 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 CC(=O)C1=NC=CC=C1 A1164 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.6 CN(C)C1=CC=NC=C1 D2370 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.6 C[C@@H](N)C1=CC=CC=C1 M5022 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.6 C[C@H](N)C1=CC=CC=C1 M5997 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.6 N=C(N)C1=CC=CC=C1 B11293 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.6 N=C(N)C1=CC=CC=C1 B13002 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 N=C(N)C1=CC=CC=C1 T1538 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.6 N=C(N)C1=CC=CN=C1 P13006 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 N=C(N)C1=NC=CC=C1 P13904 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.6 N=C(\C1=CC=NC=C1)N P13011 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.6 NC(=O)C1=CC=NC=C1 P1409 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 NC(=O)C1=CN=CN=C1 P17598 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 NC(=O)C1=NC=CN=C1 P1326 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.6 O=C(Cl)C1=CN=CC=N1 P12749 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 O=C(O)C1=CC=CN=C1 N0837 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 O=C(O)C1=CC=NN=C1 P12249 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.6 O=C(O)C1=CN=CN=C1 P12245 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 O=C(O)C1=NC=CC=C1 P0843 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 O=C(O)C1=NC=CC=N1 P12246 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 O=C(O)C1=NC=CN=C1 P4976 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 O=C(O)C1=NC=NC=C1 P12243 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.6 OB(O)C1=CC=CC=C1 N2145 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 BrCCC1=CC=CC=C1 B1499 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.8 BrCCC1=NC=CC=C1 B18468 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.8 CNCC1=CC=CC=C1 C12471 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.8 CNCC1=CN=CC=C1 M13405 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 NCCC1=CC=CC=C1 P18797 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 NCCC1=CC=CC=C1 P19425 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.8 NCCC1=CC=CC=N1 P3233 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 NCCC1=CC=CN=C1 A18111 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 NCCC1=CC=NC=C1 A18195 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 NCCC1=CN=CC=C1 A12910 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 NNCC1=CC=CC=C1 B8798 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 OCCC1=NC=CC=C1 P0121 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 O\N=C/C1=CC=CC=C1 B18348 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 P7773 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.12 CCC(C#N)C1=CC=CC=C1 P4793 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.12 OCC(CO)C1=CC=CC=C1 P11674 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.16 CCOC(=O)C1=CC=CN=C1 E0301 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.16 CCOC(=O)C1=CC=CN=C1 E0301 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.16 CCOC(=O)C1=CC=NC=C1 E2195 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.16 CCOC(=O)C1=CN=CN=C1 E15175 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.16 CCOC(=O)C1=NC=NC=C1 E14660 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.16 CN(CCO)C1=NC=CC=C1 M17929 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.16 CNCC(O)C1=CC=CC=C1 M12439 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.16 NC(CCO)C1=CC=CN=C1 A14587 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.16 O=C(CCCl)C1=CC=CC=C1 C4696 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.16 O=C(NCO)C1=CC=CN=C1 H1222 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C7851 [0,1,0,0,0,0|0,0,2]=3 84 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C7852 [0,1,0,0,0,0|0,0,2]=3 85 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 H13833 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B9585 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 C1333 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 C16136 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 A3785 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.22 CCC(O)C1=CC=C(N)C=C1 A14442 [0,1,0,0,0,0|0,0,2]=3 91 B11R1.22 COC(=O)C1=CC=C(C)N=C1 M2810 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.22 COC(=O)C1=CC=C(C)N=C1 M2810 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M3210 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.22 COC(=O)C1=CC=C(I)C=C1 M11095 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.22 COC(=O)C1=CC=C(O)N=C1 M11546 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 D0522 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 C7882 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 C7882 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.22 COC(=O)C1=CN=C(F)C=C1 F16403 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.22 COC(=O)C1=CN=C(N)C=C1 M17187 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 M5584 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 M5584 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.22 COC(=O)C1=NC=C(O)N=C1 H12486 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.22 N=C(NO)C1=CC=C(N)C=C1 A17579 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 A18144 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A9264 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A8579 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 A15527 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 B9681 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 C7845 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.22 NNC(=O)C1=CN=C(N)C=C1 A14360 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 B9682 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 C13003 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 F14091 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.22 N\C(=N\O)C1=CC=C(I)C=C1 H13815 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.22 N\C(=N\O)C1=CC=C(O)C=C1 D13778 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 B2812 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 B2675 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 B9674 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 C5512 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 H4787 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 C7784 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F3998 [0,1,0,0,0,0|0,0,0]=1 124 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 H4015 [0,1,0,0,0,0|0,0,0]=1 125 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 A18209 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 M2719 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.23 COC(=O)C1=CC(N)=CN=C1 M13513 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.23 COC(=O)C1=CC(O)=CN=C1 M17193 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 M7840 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.23 COC(=O)C1=CC=CC(N)=N1 P17221 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 C17462 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.23 NC1=CC(\C(N)=N\O)=CC=C1 A18062 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 A3766 [0,1,0,0,0,0|1,0,2]=4 134 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 B9680 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 F4422 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.23 N\C(=N\O)C1=CC=CC(F)=C1 F14046 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 C10453 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A5471 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 B9586 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H0511 [0,1,0,0,0,0|0,0,0]=1 143 B11R1.222 CCC(=O)C1=CC=CC=C1F F0510 [0,1,0,0,0,0|0,0,0]=1 144 B11R1.222 CNC(=O)C1=CC=CN=C1Cl C15616 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.222 COC(=O)C1=C(C)C=NC=C1 M12714 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 M12951 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.222 COC(=O)C1=C(N)C=CN=C1 A14492 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.222 COC(=O)C1=C(N)C=NC=C1 A15471 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.222 COC(=O)C1=C(N)N=CC=C1 A14460 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.222 COC(=O)C1=C(N)N=CC=N1 M4035 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.222 COC(=O)C1=C(N)N=CC=N1 M4035 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.222 COC(=O)C1=C(O)C=CN=C1 H14883 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.222 COC(=O)C1=C(O)N=CC=N1 M13407 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.222 COC(=O)C1=CC=CC=C1C P3622 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.222 COC(=O)C1=CC=CC=C1Cl M16628 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.222 COC(=O)C1=CC=CC=C1N M16626 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.222 COC(=O)C1=CC=NC=C1O M17192 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.222 N=C(NO)C1=C(N)C=CC=C1 A17581 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.222 NCC(O)C1=CC=CC=C1Cl A14632 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.222 NNC(=O)C1=C(N)C=NC=C1 A15140 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.222 N\C(=N\O)C1=CC=CC=C1Cl C13734 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.222 N\C(=N\O)C1=CC=CC=C1F F14048 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.222 O=C(CBr)C1=CC=CC=C1Br B19214 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl C10454 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 C18779 [0,1,0,0,0,0|1,0,2]=4 166 B11R2.1 BrC1=CSC2=C1C=CC=C2 B9589 [0,0,0,1,0,0|2,0,1]=4 167 B11R2.1 BrC1=NNC2=CC=CC=C21 B4442 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [0,0,0,1,0,0|2,0,1]=4 169 B11R2.1 CC1=CNC2=CC=CC=C12 M2187 [0,0,0,1,0,0|2,0,1]=4 170 B11R2.1 CC1=CSC2=C1C=CC=C2 M3947 [0,0,0,1,0,0|2,0,1]=4 171 B11R2.1 ClC1=NNC2=CC=CC=C21 C15605 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.1 ClC1=NSC2=C1C=CC=C2 C2714 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.1 ClC1CCC2=CC=CC=C21 C17006 [0,0,0,1,0,0|1,0,1]=3 174 B11R2.1 IC1=NNC2=CC=CC=C21 I7268 [0,0,0,1,0,0|3,0,0]=4 175 B11R2.1 NC1=NOC2=CC=CC=C21 B12537 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.1 NC1CCC2=CC=CC=C21 I17072 [0,0,0,1,0,0|1,0,1]=3 177 B11R2.1 O=C1CCC2=CC=CC=C12 I4017 [0,0,0,1,0,0|0,0,0]=1 178 B11R2.1 O=C1COC2=C1C=CC=C2 C11757 [0,0,0,1,0,0|1,0,0]=2 179 B11R2.1 O=C1NN=C2C=CC=CN12 T6811 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.1 O=C1NSC2=CC=CC=C12 B3703 [0,0,0,1,0,0|2,0,0]=3 181 B11R2.1 OC1CCC2=CC=CC=C21 I17073 [0,0,0,1,0,0|0,0,2]=3 182 B9R1.11 CCC(=O)C1=CC=CS1 T3339 [0,0,0,0,1,0|1,0,0]=2 183 B9R1.11 COC(=O)C1=CNC=N1 M12811 [0,0,0,0,1,0|3,0,0]=4 184 B9R1.11 COC(=O)C1=NNC=C1 P14852 [0,0,0,0,1,0|3,0,0]=4 185 B9R1.11 NNC(=O)C1=CC=CS1 T0649 [0,0,0,0,1,0|3,0,0]=4 186 B9R1.11 O=C(CBr)C1=CC=CS1 B4897 [0,0,0,0,1,0|2,0,0]=3 187 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 B0897 [0,0,0,0,0,1|2,0,1]=4 188 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [0,0,0,0,0,1|2,0,1]=4 189 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [0,0,0,0,0,1|2,0,1]=4 190 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,0,1|2,0,1]=4 191 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [0,0,0,0,0,1|2,0,1]=4 192 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C7816 [0,0,0,0,0,1|1,0,0]=2 193 B8R1.2 C#CC1=CC=CC=C1 P18887 [2,0,0,0,0,0|0,0,2]=4 194 B8R1.2 C(=O)C1=CC=CN=C1 P11581 [2,0,0,0,0,0|1,0,0]=3 195 B8R1.2 C(=O)C1=CC=NC=C1 P11582 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.2 CC[N+]1=CC=CC=C1 E8507 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 ClCC1=CC=CN=C1 C1770 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 ClCC1=CC=NC=C1 C2804 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 ClCC1=NC=CC=C1 C5538 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 NCC1=CC=CN=C1 P2319 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 OCC1=NC=CC=C1 P1495 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F1700 [1,1,0,0,0,0|0,0,0]=2 205 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A18848 [1,1,0,0,0,0|0,0,0]=2 206 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B11426 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.13 CC(C)C1=CC=C(S)C=C1 I0763 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,1,0,0,0,0|1,0,1]=4 209 B10R1.13 CC(N)C1=CC=C(O)C=C1 T0856 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 C1062 [1,1,0,0,0,0|0,0,2]=4 211 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M13863 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 M18854 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.13 CC1=CC=C(C(=O)O)C=N1 M5526 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.13 CC1=CC=C(C(=O)O)C=N1 M5526 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.13 CN(C)C1=CC=C(Br)C=C1 B5435 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B5986 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 A12653 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B13676 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C13004 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F12780 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.13 N=C(N)C1=CC=C(I)C=C1 I16414 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A18192 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A9362 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.13 N=C(N)C1=CC=C(O)C=C1 C7930 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H13795 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C18869 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A0176 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 B9721 [1,1,0,0,0,0|1,1,0]=4 229 B10R1.13 NC(=S)C1=CC=C(N)C=C1 A5434 [1,1,0,0,0,0|1,1,0]=4 230 B10R1.13 NC1=CC=C(C(=O)O)C=C1 A11243 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.13 NC1=CC=C(C(=O)O)C=C1 A11243 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.13 NC1=CC=C(C(=O)O)C=N1 A7302 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A19387 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A14646 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A4099 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A4099 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A14647 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 B2712 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 C18851 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 F7471 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 B0745 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 B9108 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 C2910 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 C2910 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.13 O=C(O)C1=CC=C(F)C=C1 F0172 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.13 O=C(O)C1=CC=C(I)C=C1 I4019 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.13 O=C(O)C1=CC=C(O)C=N1 H14882 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.13 O=C(O)C1=CC=C(O)N=C1 H5358 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M3209 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M3209 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B2892 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 C17460 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 S7517 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.13 O=S([O-])C1=CC=C(Cl)C=C1 C8973 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 C1352 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F11154 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.61 CC(=O)C1=C(C)N=CC=N1 A3758 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.61 CC(=O)C1=CC=CC=C1Br B8980 [1,1,0,0,0,0|0,0,0]=2 259 B10R1.61 CC(=O)C1=CC=CC=C1F F0912 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.61 CC(=O)C1=CC=CC=C1N A0266 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.61 CC(=O)C1=CC=CN=C1N A7312 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.61 CC(=O)C1=NC=CC=C1N A12969 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M12881 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.61 CC1=CC=CC=C1C(=N)N M13850 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.61 CC1=CC=CC=C1C(=O)Cl M18896 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.61 CC1=CC=CN=C1C(=O)O M17500 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.61 CC1=NC=CC=C1C(=O)O M17501 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.61 N=C(N)C1=C(O)C=CC=C1 H13821 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.61 N=C(N)C1=CC=CC=C1Br B13674 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.61 N=C(N)C1=CC=CC=C1Cl C13733 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.61 N=C(N)C1=CC=CC=C1F F14049 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B9015 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 C18868 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.61 NC(=O)C1=C(O)C=CC=C1 S1278 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.61 NC(=O)C1=CC=CC=C1N A16466 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.61 NC(=O)C1=NC=CC=C1N A16469 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.61 NC(=O)C1=NC=CC=C1O H17175 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 B9723 [1,1,0,0,0,0|1,1,0]=4 279 B10R1.61 NC1=C(C(=O)O)C=CN=C1 A13797 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.61 NC1=CC=CN=C1C(=O)O A11570 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.61 NC1=NC=CC=C1C(=O)O A2326 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.61 NC1=NC=CC=C1C(=O)O A2326 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 B9882 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 C2477 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 F7469 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B9109 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 B9110 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C5345 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 C17301 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.61 O=C(O)C1=C(O)C=CC=C1 S1290 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.61 O=C(O)C1=CC=CC=C1F F1796 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.61 O=C(O)C1=CC=CC=C1I I1314 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.61 O=C(O)C1=CC=CN=C1Cl C4998 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.61 O=C(O)C1=CC=CN=C1F F11719 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.61 O=C(O)C1=CC=CN=C1O H2508 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.61 O=C(O)C1=CC=CN=C1S M5419 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.61 O=C(O)C1=CC=NC=C1Br B9107 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.61 O=C(O)C1=N(O)C=CC=C1 P17505 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.61 O=C(O)C1=NC=CC=C1Cl C17308 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.61 O=C(O)C1=NC=CC=C1O H5458 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 S7518 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CC=C1 C1351 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.61 O=[N+]([O-])C1=CC=CC=C1F F11152 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 B8981 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A11417 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F0654 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.113 CC(=O)C1=CC=CC(N)=C1 A0078 [1,1,0,0,0,0|0,0,0]=2 308 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 A11415 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.113 CC(=O)C1=NC=CC(C)=C1 A11428 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M14187 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.113 CC(=O)C1=NC=NC(C)=C1 M14187 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.113 CC1=CC(C(=N)N)=CC=C1 M13856 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.113 CC1=CC(C(=N)N)=CC=C1 M19426 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.113 CC1=CC(C(=O)Cl)=CC=C1 M18897 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M11540 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M11540 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M17497 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M17496 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.113 CN(C)C1=CC(O)=CC=C1 D1674 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.113 C[C@@H](N)C1=CC(N)=CC=C1 A7282 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A7283 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.113 C[C@H](N)C1=CC(O)=CC=C1 A12640 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 B13675 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 C13735 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.113 N=C(N)C1=CC=CC(F)=C1 F14047 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.113 NC(=O)C1=CC(N)=CC=C1 A0175 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 C7888 [1,1,0,0,0,0|1,1,0]=4 328 B10R1.113 NC1=CC(C(=O)O)=CC=C1 A11244 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 N1381 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.113 NC1=CN=CC(C(=O)O)=C1 A2778 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.113 NC1=CN=CC(C(=O)O)=C1 A2778 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.113 NC1=NC(C(=O)O)=CC=C1 A11777 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.113 NC1=NC=CC(C(=O)O)=C1 A11776 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 B9883 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 C18856 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 F7470 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 B9063 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 B5429 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 B2652 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.113 O=C(O)C1=CC(Cl)=CN=C1 C7453 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 C3228 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.113 O=C(O)C1=CC(F)=CN=C1 F17488 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.113 O=C(O)C1=CC(F)=NC=C1 F17489 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.113 O=C(O)C1=CC(O)=CC=C1 H16582 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.113 O=C(O)C1=CC(O)=NC=C1 H11542 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 C7454 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F0060 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.113 O=C(O)C1=CC=CC(I)=C1 I4018 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.113 O=C(O)C1=CC=CC(S)=C1 M11264 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H2614 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.113 O=C(O)C1=CN=CC(O)=C1 H2614 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 B2833 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.113 O=C(O)C1=NC(F)=CC=C1 F17487 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.113 O=C(O)C1=NC(O)=CC=C1 H4016 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B2851 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 B2851 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C12505 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 C12505 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.113 O=C(O)C1=NC=CC(I)=C1 I12208 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.113 O=C(O)C1=NC=CC(O)=C1 H17493 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.113 O=[N+]([O-])C1=CC(Cl)=CC=C1 C1350 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 N0309 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 B0312 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 F11153 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.1 CCOC1=CC=C(Br)C=N1 B9112 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 CCOC1=CC=C(I)C=C1 I10965 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.1 CNCC1=CC=C(F)C=C1 F17963 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.1 ClC1=CC=C(CCBr)C=C1 B9884 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.1 FC1=CC=C(CCBr)C=C1 B9148 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.1 FC1=CC=C(CCCl)C=C1 C7477 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.1 NC1=CC=C(CCO)C=C1 A6857 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 NCCC1=CC=C(Br)C=C1 B2101 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 NCCC1=CC=C(Cl)C=C1 C2522 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.1 NCCC1=CC=C(N)C=C1 A18081 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.1 NCCC1=CC=C(N)C=C1 A18082 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.1 OCCC1=CC=C(Br)C=C1 B18704 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.1 OCCC1=CC=C(F)C=C1 F4316 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.4 CCNC1=NC=CC=C1N E16040 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.4 CCOC1=CC=CN=C1N E16039 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.4 ClC1=C(CCBr)C=CC=C1 B9886 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.4 FC1=C(CCBr)C=CC=C1 B9149 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.4 NCCC1=CC=CC=C1N A18075 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.4 NCCC1=CC=CC=C1N A18076 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.4 NCCC1=CC=CC=C1O A15642 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.4 O\N=C\C1=CC=CC=C1Cl C11090 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.10 CCCC1=CC=CC(N)=N1 P17223 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.10 CCOC1=CC(Br)=CC=C1 B18703 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.10 CCOC1=CC(F)=CC=C1 F5499 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.10 CCOC1=CC=CC(N)=N1 E0124 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.10 CCOC1=CC=CC(S)=C1 E1129 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.10 ClC1=CC(CCBr)=CC=C1 C9887 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.10 FCOC1=CC(Br)=CC=C1 F5304 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.10 NCCC1=CC(N)=CC=C1 A18201 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.10 NCCC1=CC=CC(Br)=C1 B18673 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.10 NCCC1=CC=CC(O)=C1 H7973 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.17 CCCCC1=CC=CN=C1 B11443 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.17 CCCCC1=NC=CC=C1 B11448 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.17 CNCCC1=CC=CC=C1 M12421 [1,1,0,0,0,0|0,0,1]=3 407 B10R1.17 CNCCC1=CC=NC=C1 M12425 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.17 CNCCC1=NC=CC=C1 B5398 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.17 CNCCC1=NC=CC=C1 B6262 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.17 NCCOC1=CC=CC=C1 P3356 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.17 OCCOC1=CC=CC=C1 P2904 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.11 CCCC(=O)C1=CC=CS1 T16407 [0,1,0,0,1,0|1,0,0]=3 416 B10R1.11 CCOC(=O)C1=CC=CN1 E4104 [0,1,0,0,1,0|1,0,0]=3 417 B10R1.11 CCOC(=O)C1=CC=CS1 E7422 [0,1,0,0,1,0|1,0,0]=3 418 B10R1.11 CCOC(=O)C1=CNC=N1 E12833 [0,1,0,0,1,0|2,0,0]=4 419 B10R1.11 CCOC(=O)C1=CNC=N1 E12833 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.11 CCOC(=O)C1=CSC=N1 E15150 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.14 COC(=O)C1=CC(Br)=CN1 M15180 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 B10632 [0,1,0,0,1,0|2,0,0]=4 423 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 B10633 [0,1,0,0,1,0|2,0,0]=4 424 B10R1.149 COC(=O)C1=C(C)C=CO1 M4783 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.149 COC(=O)C1=C(N)C=CS1 A4697 [0,1,0,0,1,0|2,0,0]=4 426 B10R1.149 COC(=O)C1=C(N)SC=C1 M7445 [0,1,0,0,1,0|2,0,0]=4 427 B12R1.32 CCCC(=O)OC1=CC=CC=C1 P7639 [0,1,0,0,0,1|0,0,0]=2 428 B12R1.32 CNCC(=O)CC1=CC=CC=C1 M5866 [0,1,0,0,0,1|0,0,0]=2 429 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 C1060 [0,1,0,0,0,1|1,0,0]=3 430 B12R1.34 CN(C(=O)CO)C1=CC=CC=C1 H1068 [0,1,0,0,0,1|1,0,0]=3 431 B12R1.34 CNC(=O)C(Br)C1=CC=CC=C1 B18458 [0,1,0,0,0,1|1,0,0]=3 432 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 M7621 [0,1,0,0,0,1|1,0,0]=3 433 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 M8386 [0,1,0,0,0,1|1,0,0]=3 434 B12R1.34 [C@@H](N)(C(=O)OC)C1=CC=CC=C1 P2153 [0,1,0,0,0,1|1,0,0]=3 435 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 D7719 [0,1,0,0,0,1|2,0,0]=4 436 B12R1.43 CN(C)C(=O)OC1=NC=CC=C1 D13986 [0,1,0,0,0,1|2,0,0]=4 437 B12R1.43 CN(O)C(=O)NC1=CC=CC=C1 H7718 [0,1,0,0,0,1|1,0,0]=3 438 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [0,1,0,0,0,1|1,0,1]=4 439 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 F15737 [0,1,0,0,0,1|0,0,2]=4 440 B12R1.49 CCC(C)OC1=CC=C(Cl)C=C1 C8394 [0,1,0,0,0,1|1,0,1]=4 441 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 M7638 [0,1,0,0,0,1|1,0,0]=3 442 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 A17809 [0,1,0,0,0,1|1,0,0]=3 443 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M7703 [0,1,0,0,0,1|1,0,0]=3 444 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 C9185 [0,1,0,0,0,1|1,0,0]=3 445 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 C8494 [0,1,0,0,0,1|1,0,0]=3 446 B12R1.50 C=CC(=O)CC1=CC(F)=CC=C1 F15736 [0,1,0,0,0,1|0,0,2]=4 447 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 A1583 [0,1,0,0,0,1|0,0,0]=2 448 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 M2025 [0,1,0,0,0,1|1,0,0]=3 449 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 M2025 [0,1,0,0,0,1|1,0,0]=3 450 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 B14248 [0,1,0,0,0,1|1,0,0]=3 451 B12R1.50 O=C(CCl)NC1=CC(F)=CC=C1 C8495 [0,1,0,0,0,1|1,0,0]=3 452 B12R1.371 COC(=O)CC1=CC=CC=C1O H15810 [0,1,0,0,0,1|1,0,0]=3 453 B12R1.371 O=C(CBr)NC1=C(Cl)C=CC=C1 C10994 [0,1,0,0,0,1|1,0,0]=3 454 B12R1.9 CCS(=O)(=O)C1=CC=C(Cl)C=C1 E11200 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C9220 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.3 CCN(CCCl)C1=CC=CC=C1 C8346 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 D7654 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.12 CCN(CC)C1=CC=C([NH3+])C=C1 D12727 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 P0867 [0,2,0,0,0,0|0,0,1]=3 460 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 T7706 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C3843 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H5061 [0,2,0,0,0,0|0,0,0]=2 463 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E3211 [0,2,0,0,0,0|0,0,0]=2 464 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E2355 [0,2,0,0,0,0|0,0,0]=2 465 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 B1320 [0,2,0,0,0,0|0,0,0]=2 466 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 E9097 [0,2,0,0,0,0|0,0,0]=2 467 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E8424 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E16002 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S1319 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S1319 [0,2,0,0,0,0|0,0,2]=4 471 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S6266 [0,2,0,0,0,0|0,0,2]=4 472 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 S9173 [0,2,0,0,0,0|0,0,2]=4 473 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 B10064 [0,2,0,0,0,0|0,0,1]=3 474 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 C8188 [0,2,0,0,0,0|0,0,1]=3 475 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 F7574 [0,2,0,0,0,0|0,0,1]=3 476 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 B18648 [0,2,0,0,0,0|1,0,1]=4 477 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 A14594 [0,2,0,0,0,0|1,0,1]=4 478 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 A14601 [0,2,0,0,0,0|1,0,1]=4 479 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 A18162 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 B18642 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B3795 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 D3857 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 E2895 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 E11148 [0,2,0,0,0,0|0,0,0]=2 485 B12R1.17 CCOC(=O)C1=CC=CC(N)=C1 E7671 [0,2,0,0,0,0|0,0,0]=2 486 B12R1.17 CCOC(=O)C1=CC=CC(N)=N1 A14715 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=C1 E17359 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.17 CCOC(=O)C1=CN=CC(N)=C1 A15168 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.17 N#CCC(=O)C1=CC(F)=CC=C1 F7575 [0,2,0,0,0,0|0,0,1]=3 490 B12R1.17 NC(CCO)C1=CC(F)=CC=C1 A14599 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.17 NC1=CC([C@@H](N)CCO)=CC=C1 A18163 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 B18643 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 B18644 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.17 O=C(N=C=S)C1=CC(Cl)=CC=C1 C8920 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 M9900 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.30 CNCCC(O)C1=CC=CC=C1 M0082 [0,2,0,0,0,0|0,0,2]=4 497 B12R1.107 NC(=S)NC(=O)C1=CC=CC=C1 B8220 [0,2,0,0,0,0|1,0,1]=4 498 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 B7666 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.308 CCCC(=O)C1=C(O)C=CC=C1 H7637 [0,2,0,0,0,0|0,0,0]=2 500 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 A15138 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.308 CCOC(=O)C1=C(O)C=CN=C1 H14849 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 H15787 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E2715 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.308 CCOC(=O)C1=CC=CN=C1N A14508 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.308 CCOC(=O)C1=CC=NC=C1O E16239 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.308 CCOC(=O)C1=NC=CC=C1N A15062 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.308 NC(CCO)C1=C(F)C=CC=C1 A15486 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.308 NC1=CC=CC=C1C(N)CCO A18165 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.308 NC1=CC=CC=C1[C@@H](N)CCO A18164 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.308 O=C(N=C=S)C1=C(Cl)C=CC=C1 C8919 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E0584 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 M1173 [0,2,0,0,0,0|0,0,0]=2 513 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 M2441 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 M18866 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 M10261 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.5 COC(=O)C1=CC=C(OC)N=C1 M5461 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B0872 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 C10062 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 C3480 [0,2,0,0,0,0|0,0,1]=3 520 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C8308 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)N=C1 C16135 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 A3681 [0,2,0,0,0,0|0,0,2]=4 523 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 A13593 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 M10263 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 M5361 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 M1208 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=C1 M12385 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.367 COC(=O)C1=CC=C(C)C(N)=C1 M7672 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.367 COC(=O)C1=CC=C(C)C(N)=C1 M7672 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 A2510 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 A2510 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.367 COC(=O)C1=CC=C(N)C(N)=C1 M11313 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 H14900 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 H14900 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 A15286 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.367 NNC(=O)C1=CC(O)=C(N)C=C1 A14441 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.367 O=C(CBr)C1=CC=C(F)C(F)=C1 D10487 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.367 O=C(CCl)C1=CC=C(O)C(O)=C1 D4702 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.1703 CC1=CC=C(C(=O)CCl)C(O)=C1 C15659 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.1703 CCC(=O)C1=CC=C(F)C=C1F D1767 [0,2,0,0,0,0|0,0,0]=2 541 B12R1.1703 CCC(=O)C1=CC=C(N)C=C1O A14463 [0,2,0,0,0,0|0,0,0]=2 542 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 M4483 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 M7903 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M1209 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1N M11726 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O M7710 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1N A2847 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.1703 COC(=O)C1=CC=C(N)C=C1Cl A11727 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl C14760 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl C14760 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.1703 NCC(=O)C1=C(F)C=C(F)C=C1 A7858 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.1703 NCC(=O)C1=CC=C(Cl)C=C1Cl A9188 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.1703 NNC(=O)C1=CC=C(F)C=C1F D4413 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 B4956 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.1703 O=C(CBr)C1=C(F)C=C(F)C=C1 B10488 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 D2136 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(Cl)C=C1 T0512 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 D1447 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 D8511 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.24 CC1=CC=CC(C(=O)NN)=C1O H7713 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.24 CNC(=O)C1=CC=CC(Br)=C1N A19283 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.24 CNC(=O)C1=CC=CC(F)=C1N A18226 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.24 COC(=O)C1=CC=CC(Br)=C1N M19336 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.24 COC(=O)C1=CC=CC(C)=C1N M12386 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1N M8428 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1N M8428 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.24 COC(=O)C1=CC=CC(N)=C1C M1396 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.24 COC(=O)C1=CC=CC(N)=C1C M1396 [0,2,0,0,0,0|1,0,0]=3 569 B12R1.24 COC(=O)C1=CC=CC(N)=C1N D12472 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.24 N#CC(=O)C1=CC=CC(Cl)=C1Cl D3483 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.354 CCC(=O)C1=CC(Br)=CC=C1O B10262 [0,2,0,0,0,0|0,0,0]=2 572 B12R1.354 CCC(=O)C1=CC(C)=CC=C1O H7641 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 M10298 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 M5449 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 M7802 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.354 COC(=O)C1=C(O)C=CC(C)=C1 M7708 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.354 COC(=O)C1=C(O)C=CC(N)=C1 M12778 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.354 COC(=O)C1=CC(N)=CC=C1C M12387 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.354 COC(=O)C1=CC(O)=CC=C1O M1340 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.354 O=C(CBr)C1=CC(F)=CC=C1O B10427 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.354 O=C(CCl)C1=CC(F)=CC=C1F C2684 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.358 CCC(=O)C1=CC(F)=CC(F)=C1 D7825 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 D4415 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.435 COC(=O)C1=CC(CO)=CC=C1 H14918 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.435 COC(=O)C1=CC=CC(CBr)=N1 B3505 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.435 COC(=O)C1=CC=CC(CO)=N1 M5930 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 M13878 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 M10259 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.435 N#CC1=CC=CC(C(=O)C=O)=C1 O15097 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.435 N#CC1=CC=CC(C(=O)CBr)=C1 B10063 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl C15617 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 B10178 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.564 CC(C)(C)C(N)C1=CC=CC=C1 D7600 [0,2,0,0,0,0|1,0,1]=4 594 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)Cl C8620 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.77 CNC1=CC=CC=C1C(=O)OC D16570 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 H14915 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.77 COC(=O)C1=CC=CC=C1CBr M4485 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.77 COC(=O)C1=CC=CC=C1CBr M4485 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.77 COC(=O)C1=CC=CC=C1CN C9100 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.77 COC(=O)C1=CC=CC=C1[N+]#N M16629 [0,2,0,0,0,0|1,0,0]=3 601 B12R1.3441 COC(=O)C1=C(F)C=CC=C1N A15466 [0,2,0,0,0,0|1,0,0]=3 602 B12R1.3441 COC(=O)C1=C(I)C=CN=C1Cl M14193 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.3441 NNC(=O)C1=C(F)C=CC=C1Cl C4425 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.3441 O=C(CBr)C1=C(F)C=CC=C1F D10489 [0,2,0,0,0,0|1,0,0]=3 605 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P4799 [1,0,0,1,0,0|0,0,2]=4 606 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|0,0,2]=4 607 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|0,0,2]=4 608 B10R2.7 C1=CC2=C(C=C1)OCO2 M1431 [1,0,0,1,0,0|2,0,0]=4 609 B10R2.7 C1=CC=C2OC=CC2=C1 B1365 [1,0,0,1,0,0|1,0,1]=4 610 B10R2.7 C1=CC=C2OC=CC2=C1 B1365 [1,0,0,1,0,0|1,0,1]=4 611 B10R2.7 C1=CN=C2CCCC2=C1 C2921 [1,0,0,1,0,0|1,0,1]=4 612 B10R2.7 C1=CN=C2NCCC2=C1 D12529 [1,0,0,1,0,0|2,0,0]=4 613 B12R2.18 CC1=CC2=CC=CC=C2N1C D1672 [0,0,0,1,0,1|2,0,0]=4 614 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 M5858 [0,0,0,1,0,1|1,0,0]=3 615 B12R2.18 CN1C(=O)SC2=CC=CC=C21 M18425 [0,0,0,1,0,1|1,0,0]=3 616 B12R2.18 CN1C2=CC=CC=C2N=C1N M17400 [0,0,0,1,0,1|2,0,0]=4 617 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O I12742 [0,0,0,1,0,1|1,0,1]=4 618 B12R2.18 O=C1NC2=CC=CC=C2C1=O I0531 [0,0,0,1,0,1|1,0,1]=4 619 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T11003 [0,0,0,1,0,1|1,0,1]=4 620 B12R2.24 O=C1CC2=CC=CC=C2CN1 D13329 [0,0,0,1,0,1|1,0,0]=3 621 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [0,0,0,1,0,1|0,0,0]=2 622 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 O5368 [0,0,0,1,0,1|0,0,0]=2 623 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 B7679 [0,0,0,1,0,1|1,0,0]=3 624 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 B10209 [0,0,0,1,0,1|1,1,0]=4 625 B12R2.32 CSC1=NC2=CC=CC=C2O1 M11740 [0,0,0,1,0,1|1,0,1]=4 626 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 I15653 [0,0,0,1,0,1|2,0,0]=4 627 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 B7651 [0,0,0,1,0,1|1,1,0]=4 628 B12R2.32 OCC1=NC2=C(C=CC=C2)S1 B7680 [0,0,0,1,0,1|1,1,0]=4 629 B12R2.2403 NC1(O)CCC2=C1C=CC=C2 A15409 [0,1,0,1,0,0|0,0,2]=4 630 B12R2.1 BrCC1=NOC2=C1C=CC=C2 B18337 [0,1,0,1,0,0|1,0,1]=4 631 B12R2.1 NCC1=CNC2=CC=CC=C12 A15949 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.1 O=CC1=CNC2=CC=CC=C12 I5032 [0,1,0,1,0,0|1,0,1]=4 633 B12R2.1 O=CC1=NNC2=CC=CC=C21 I7267 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4944 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 P14087 [0,1,0,1,0,0|1,0,0]=3 636 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.1081 CC1NCCC2=C1C=CC=C2 M19306 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.1081 NC1CCNC2=CC=CC=C21 T16044 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.1081 O=C1CCCC2=C1C=CC=N2 T13200 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D19323 [0,1,0,1,0,0|1,0,0]=3 642 B12R2.1081 O=C1CCCC2=C1N=CC=C2 D11093 [0,1,0,1,0,0|1,0,0]=3 643 B12R2.1081 O=C1NN=CC2=CC=CC=C12 P11077 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.1081 O=C1NN=NC2=CC=CC=C12 B16499 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 P16661 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 P16660 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 B9580 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.612 N1CC2=CC(Br)=CC=C2C1=O B19390 [0,1,0,1,0,0|1,0,0]=3 649 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B3805 [0,1,0,1,0,0|0,0,0]=2 650 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B3805 [0,1,0,1,0,0|0,0,0]=2 651 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C0119 [0,1,0,1,0,0|0,0,0]=2 652 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F0986 [0,1,0,1,0,0|0,0,0]=2 653 B12R2.612 O=C1CCC2=CC(O)=CC=C12 H4064 [0,1,0,1,0,0|0,0,0]=2 654 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 B3425 [0,1,0,1,0,0|1,0,0]=3 655 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 B3425 [0,1,0,1,0,0|1,0,0]=3 656 B12R2.132 CC1=CC=C2CCC(Cl)C2=C1 C17003 [0,1,0,1,0,0|1,0,1]=4 657 B12R2.132 CC1=CC=C2CCC(N)C2=C1 M17107 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 B13710 [0,1,0,1,0,0|0,0,0]=2 659 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 C17004 [0,1,0,1,0,0|0,0,0]=2 660 B12R2.132 O=C1CCC2=CC=C(F)C=C12 F14034 [0,1,0,1,0,0|0,0,0]=2 661 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 B19421 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.196 O=C1CCC2=C1C=CC=C2Br B9482 [0,1,0,1,0,0|0,0,0]=2 663 B8R1.7 CC(=O)C1=CC=CN1 A0582 [1,0,0,0,1,0|1,0,0]=3 664 B8R1.7 CC(=O)C1=CC=CO1 A1473 [1,0,0,0,1,0|1,0,0]=3 665 B8R1.7 CC(=O)C1=CC=CS1 A0583 [1,0,0,0,1,0|1,0,0]=3 666 B8R1.7 CC(=O)C1=CNC=C1 P7297 [1,0,0,0,1,0|1,0,0]=3 667 B8R1.7 CC(=O)C1=CNN=C1 A17999 [1,0,0,0,1,0|2,0,0]=4 668 B8R1.7 CC(=O)C1=NC=CS1 A1214 [1,0,0,0,1,0|2,0,0]=4 669 B8R1.7 O=C(O)C1=CC=CS1 T4980 [1,0,0,0,1,0|2,0,0]=4 670 B8R1.7 O=C(O)C1=CC=CS1 T4980 [1,0,0,0,1,0|2,0,0]=4 671 B8R1.7 O=C(O)C1=CNC=C1 P7298 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.7 O=C(O)C1=CNC=C1 P7298 [1,0,0,0,1,0|2,0,0]=4 673 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,0,0,0,0,2|0,0,0]=2 674 B12R1.27 CNC(=S)NCC1=CC=CC=C1 B8222 [0,0,0,0,0,2|1,1,0]=4 675 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B9098 [0,0,0,0,0,2|1,0,0]=3 676 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B7715 [0,0,0,0,0,2|2,0,0]=4