0 B17R2.3417 O=C(CC1=CC=CC=C1)C2=C(O)C=CC=C2 T70645 [0,0,0,0,0,0|1,0,0]=1 1 B17R2.3417 O=C(CC1=CC=NC=C1)C2=C(Cl)C=CC=C2 C74059 [0,0,0,0,0,0|3,0,0]=3 2 B16R2.71 FC1=C(OCC2=CC=CC=C2)C=CC=C1 C74898 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.71 IC1=C(OCC2=CC=CC=C2)C=CC=C1 C11685 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 C75880 [1,0,0,0,0,0|3,0,0]=4 5 B16R2.88 O=C(CC1=CC=CC=C1)C2=NC=CC=C2 28067 [1,0,0,0,0,0|2,0,0]=3 6 B16R2.88 O=C(NC1=NC=CC=C1)C2=CC=CC=C2 D86229 [1,0,0,0,0,0|2,0,0]=3 7 B16R2.88 [O-]\[N+](=C/C1=CC=CC=C1)C2=CC=CC=C2 A11906 [1,0,0,0,0,0|2,0,1]=4 8 B18R2.3047 COC1=C(C(=O)CC2=CC=CC=C2)C=CC=C1 C74717 [0,1,0,0,0,0|1,0,0]=2 9 B18R2.6536 NC1=C(C(=O)NC2=CC=CC=C2)C=C(F)C=C1 C75807 [0,1,0,0,0,0|2,0,0]=3 10 B18R2.6536 O=C(CC1=CC=CC=C1)C2=C(O)C=CC(F)=C2 AC5953 [0,1,0,0,0,0|1,0,0]=2 11 B18R2.9218 O=C(CC1=CC=C(Cl)C=C1)C2=C(F)C=CC=C2 33728 [0,1,0,0,0,0|2,0,0]=3 12 B18R2.9218 O=C(NC1=CC=C(Br)C=C1)C2=C(O)C=CC=C2 T70686 [0,1,0,0,0,0|1,0,0]=2 13 B18R2.9218 O=C(NC1=CC=C(Cl)C=C1)C2=C(O)C=CC=C2 D80947 [0,1,0,0,0,0|1,0,0]=2 14 B18R2.32648 NC1=C(NC(=O)C2=CC=CN=C2Cl)C=CC=C1 71308 [0,1,0,0,0,0|3,0,0]=4 15 B18R3.111 O=C1C2=C(C=CC=C2)CN1C3=CC=CC=C3 59726 [0,0,0,1,0,0|2,0,0]=3 16 B18R3.111 O=C1C2=C(C=CC=C2)C[C@@H]1C3=CC=CC=C3 D86929 [0,0,0,1,0,0|2,0,0]=3 17 B18R3.2098 C1=CC=C(CC2=NNC3=C2C=CC=C3)C=C1 C75220 [0,0,0,1,0,0|3,0,0]=4 18 B18R3.47120 NC1=C(C2=CC3=C(C=CC=C3)N2)C=CC=C1 AB10012 [0,0,0,1,0,0|3,0,0]=4 19 B18R3.47120 OC1=C(C2=CC3=C(C=CC=C3)N2)C=CC=C1 78420 [0,0,0,1,0,0|2,0,0]=3 20 B18R3.92719 ClC1=NC2=C(C=CC=C2)SC3=C1C=CC=C3 C72504 [0,0,0,1,0,0|2,1,0]=4 21 B18R3.92719 O=C1CC2=C(C=CC=C2)NC3=C1C=CC=C3 A10686 [0,0,0,1,0,0|2,0,0]=3 22 B18R3.92719 O=C1NC2=C(C=CC=C2)NC3=C1C=CC=C3 C13076 [0,0,0,1,0,0|2,0,0]=3 23 B18R3.92719 O=C1NC2=C(C=CC=C2)NC3=C1C=CC=N3 39339 [0,0,0,1,0,0|3,0,0]=4 24 B16R2.3896 CC1=C([C@@H](N)C2=CC=CC=C2)C=CC=C1 D92981 [0,0,0,0,1,0|2,0,1]=4 25 B16R2.3896 C[C@@H](C1=CC=CC=C1)C2=C(O)C=CC=C2 A11642 [0,0,0,0,1,0|1,0,1]=3 26 B16R2.3896 NC1=C(C(=O)C2=CC=NC=C2)C=CC=C1 P16522 [0,0,0,0,1,0|2,0,0]=3 27 B16R2.3896 NC1=C([C@@H](N)C2=CC=CC=C2)C=CC=C1 31725 [0,0,0,0,1,0|2,0,1]=4 28 B16R2.3896 N[C@@H](C1=CC=CC=C1)C2=C(Br)C=CC=C2 31777 [0,0,0,0,1,0|2,0,1]=4 29 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(O)C=CC=C2 W18696 [0,0,0,0,1,0|0,0,0]=1 30 B16R2.3896 O=C(C1=CC=CC=C1)C2=CC=CN=C2Cl C16395 [0,0,0,0,1,0|2,0,0]=3 31 B16R2.3896 O=C(C1=CN=CC=C1)C2=C(Br)C=CC=C2 W17260 [0,0,0,0,1,0|2,0,0]=3 32 B16R2.3896 O[C@@H](C1=CC=CC=C1)C2=C(Br)C=CC=C2 W18962 [0,0,0,0,1,0|1,0,2]=4 33 B18R2.4001 C\C(=N/NC1=CC=CC=C1)C2=C(N)C=CC=C2 AB22814 [0,0,0,0,0,1|3,0,0]=4 34 B18R2.4001 NC1=C(C(=O)OCC2=CC=CC=C2)C=CC=C1 A12861 [0,0,0,0,0,1|1,0,0]=2 35 B15R2.2195 C1=CC=C(CNC2=CC=CC=C2)C=C1 E70421 [2,0,0,0,0,0|1,0,1]=4 36 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 W19145 [2,0,0,0,0,0|1,0,1]=4 37 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 D72521 [2,0,0,0,0,0|1,1,0]=4 38 B15R2.2195 C1=CC=C([Te][Te]C2=CC=CC=C2)C=C1 T70770 [2,0,0,0,0,0|1,1,0]=4 39 B15R2.2195 C1=CC=C(\C=C\C2=CC=NC=C2)C=C1 F17039 [2,0,0,0,0,0|2,0,0]=4 40 B17R2.262 O=CC1=C(COC2=CC=CC=C2)C=CC=C1 D83304 [1,1,0,0,0,0|0,0,2]=4 41 B17R2.192 CC1=CC=C(C(=O)CC2=CC=NC=C2)C=C1 25890 [1,1,0,0,0,0|2,0,0]=4 42 B17R2.192 O=C(CC1=CC=NC=C1)C2=CC=C(Br)C=C2 C71028 [1,1,0,0,0,0|2,0,0]=4 43 B17R2.192 O=C(NC1=NC=CC=C1)C2=CC=C(Br)C=C2 W13177 [1,1,0,0,0,0|2,0,0]=4 44 B17R2.192 O=C(OC1=CC=CC=C1)C2=CC=C(O)C=C2 D90820 [1,1,0,0,0,0|0,0,0]=2 45 B17R2.209 O=C(CC1=CC=C(Cl)C=C1)C2=CC=CC=C2 W18442 [1,1,0,0,0,0|1,0,0]=3 46 B17R2.209 O=C(NC1=CC=C(Cl)C=C1)C2=NC=CC=C2 F17384 [1,1,0,0,0,0|2,0,0]=4 47 B17R2.5273 O=C(NC1=CC=CC=C1)C2=NC=CC(Cl)=C2 AR3401 [1,1,0,0,0,0|2,0,0]=4 48 B17R2.5293 O=C(CC1=CC=CC(Br)=C1)C2=CC=CC=C2 W18445 [1,1,0,0,0,0|1,0,0]=3 49 B17R2.381 CC1=CC=C(C(=O)C2=C(N)C=CC=C2)C=C1 68216 [0,1,0,0,1,0|1,0,0]=3 50 B17R2.1066 COC1=C([S@@](=O)C2=CC=CC=C2)C=CC=C1 95026 [0,1,0,0,1,0|1,0,0]=3 51 B17R2.5305 NC1=C(C(=O)C2=CC=CC=C2)C=CN=C1Cl 79744 [0,1,0,0,1,0|2,0,0]=4 52 B17R2.5356 CC1=CC(C(=O)C2=CC=CC=C2)=C(N)C=C1 O10039 [0,1,0,0,1,0|1,0,0]=3 53 B17R2.5356 NC1=C(C(=O)C2=CC=CC=C2)C=C(F)C=C1 75422 [0,1,0,0,1,0|1,0,0]=3 54 B17R2.5362 CC1=CC(C)=C(C(=O)C2=CC=CC=C2)C=C1 D78378 [0,1,0,0,1,0|1,0,0]=3 55 B17R2.5362 O=C(C1=CC=CC=C1)C2=CC=C(F)N=C2F D83225 [0,1,0,0,1,0|2,0,0]=4 56 B17R2.20511 NC1=C(C(=O)C2=C(Cl)C=CC=C2)C=CC=C1 D94637 [0,1,0,0,1,0|1,0,0]=3 57 B17R2.20511 O=C(C1=C(Br)C=CC=C1)C2=C(Br)C=CC=C2 AC5733 [0,1,0,0,1,0|1,0,0]=3 58 B17R2.20511 O=C(C1=C(F)C=CC=C1)C2=C(F)C=CC=C2 D80741 [0,1,0,0,1,0|1,0,0]=3 59 B19R2.50170 O=C(NC1=C(Br)C=CC=C1)NC2=C(Br)C=CC=C2 20596 [0,1,0,0,0,1|2,0,0]=4 60 B19R2.4531 O=C(C=CC1=CC=CC=C1)C2=C(O)C=C(O)C=C2 D94576 [0,1,0,0,0,1|1,0,0]=3 61 B19R2.60510 O=C(CC1=CC=CC=C1)C2=C(O)C=C(O)C=C2O T72882 [0,2,0,0,0,0|1,0,0]=3 62 B19R2.151817 O=C(NC1=CC=C(Cl)C=C1)C2=C(F)C=CC=C2F A11199 [0,2,0,0,0,0|2,0,0]=4 63 B19R2.502992 CC1=CC=CC(I)=C1C(=O)NC2=C(C)C=CC=C2 F20161 [0,2,0,0,0,0|2,0,0]=4 64 B19R2.12259 O=C(CC1=CC=C(Cl)C=C1)C2=C(O)C=CC(F)=C2 S10094 [0,2,0,0,0,0|1,0,0]=3 65 B19R2.12259 O=C(NC1=CC=C(Cl)C=C1)C2=C(O)C=CC(Br)=C2 T70837 [0,2,0,0,0,0|1,0,0]=3 66 B19R2.101559 O=C(CC1=CC(F)=CC=C1)C2=C(O)C=CC(F)=C2 C12988 [0,2,0,0,0,0|1,0,0]=3 67 B19R2.12255 NC1=CC=C(NC(=O)C2=C(Cl)C=C(F)C=C2)C=C1 A11742 [0,2,0,0,0,0|2,0,0]=4 68 B19R2.12255 O=C(CC1=CC=C(Cl)C=C1)C2=C(Cl)C=C(Cl)C=C2 33668 [0,2,0,0,0,0|2,0,0]=4 69 B19R2.12255 O=C(CC1=CC=C(F)C=C1)C2=C(Cl)C=C(Cl)C=C2 33726 [0,2,0,0,0,0|2,0,0]=4 70 B19R2.50263 O=C(CC1=CC(F)=C(F)C=C1)C2=C(F)C=CC=C2 33767 [0,2,0,0,0,0|2,0,0]=4 71 B17R2.24238 O=C(O)C1=CC=CN(C2=CC=CC=C2)C1=O 50962 [0,0,1,1,0,0|2,0,0]=4 72 B17R3.1830 C1=CC2=C(C=C1)NC3=C(C=CC=C3)OC2 80148 [1,0,0,1,0,0|1,0,1]=4 73 B17R3.1830 C1=CC2=C(C=C1)OC3=C(C=CC=C3)NC2 74545 [1,0,0,1,0,0|1,0,1]=4 74 B17R3.8708 C1=CC=C(B2OC3=C(C=CC=C3)O2)C=C1 73805 [1,0,0,1,0,0|2,0,0]=4 75 B17R3.8708 C1=CC=C(C2=NC3=C(C=CC=C3)O2)C=C1 65348 [1,0,0,1,0,0|2,0,0]=4 76 B17R3.54615 BrC1=NC2=CC=CC=C2C3=CC=CC=C31 C73355 [1,0,0,1,0,0|2,0,0]=4 77 B17R3.54615 NC1=CC2=CC=CC=C2C3=CC=CC=C13 H10540 [1,0,0,1,0,0|2,0,0]=4 78 B17R3.54615 O=C1OC2=C(C=CC=C2)C3=C1C=CC=C3 A10856 [1,0,0,1,0,0|0,0,0]=2 79 B17R3.8 C1=CC=C(C2=CNC3=C2C=CC=C3)C=C1 Y13578 [0,0,0,1,1,0|2,0,0]=4 80 B17R3.8 C1=CC=C(C2=NNC3=C2C=CC=C3)C=C1 C72228 [0,0,0,1,1,0|2,0,0]=4 81 B17R3.35227 NC1=C2C=CC=CC2=CC3=CC=CC=C31 T71332 [0,0,0,1,1,0|2,0,0]=4 82 B17R3.35227 NC1C2=C(C=CC=C2)OC3=C1C=CC=C3 31857 [0,0,0,1,1,0|1,0,1]=4 83 B17R3.51174 NC1=C2C(=O)C3=C(C=CC=C3)C2=CC=C1 O10371 [0,0,0,1,1,0|1,0,0]=3 84 B17R3.51174 O=C1C2=C(C=CC=C2)C3=CC=CC(Br)=C13 A12460 [0,0,0,1,1,0|1,0,0]=3 85 B17R3.51174 O=C1C2=C(C=CC=C2)C3=CC=CC(F)=C13 W17181 [0,0,0,1,1,0|1,0,0]=3 86 B19R3.9171 O=C1OC(C2=CC=CC=C2)=NC3=C1C=CC=C3 T70020 [0,0,0,1,0,1|1,0,0]=3 87 B19R3.6048 O=C1C(C2=CC=CC=C2)=COC3=C1C=CC=C3 41884 [0,1,0,1,0,0|1,0,0]=3 88 B19R3.6049 O=C1C2=C(C=CC=C2)C(O)=C1C3=CC=NC=C3 C76133 [0,1,0,1,0,0|2,0,0]=4 89 B19R3.157896 O=C1NC2=C(C=CC=C2)C=CC3=C1C=CC=C3 C15374 [0,1,0,1,0,0|2,0,0]=4 90 B19R3.370303 O=C1NC2=C(C=CC=C2)C(=O)C3=C1C=CC=C3 I11159 [0,1,0,1,0,0|1,0,1]=4 91 B19R3.8306 CC1=CC=CC2=C1OC3=C(C=CC=C3)CC2=O 64281 [0,1,0,1,0,0|1,0,0]=3 92 B19R3.5744 O=C1NC2=C(C=CC=C2)NC3=C1C=C(Br)C=C3 P16649 [0,1,0,1,0,0|2,0,0]=4 93 B19R3.5744 O=C1NC2=C(C=CC=C2)SC3=C1C=C(Cl)C=C3 C74626 [0,1,0,1,0,0|1,1,0]=4 94 B19R3.55147 O=C1C2=C(C=CC(Br)=C2)CN1C3=CC=CC=C3 E70366 [0,1,0,1,0,0|2,0,0]=4 95 B19R3.168681 O=C1NC2=C(C=CC=C2)NC3=C1C=CC(Br)=C3 P16650 [0,1,0,1,0,0|2,0,0]=4 96 B19R3.12752 CC1=CC=C(N2SC3=C(C=CC=C3)C2=O)C=C1 F10801 [0,1,0,1,0,0|1,1,0]=4 97 B15R2.38 BrC1=C(NC2=CC=CC=C2)C=CC=C1 W17701 [1,0,0,0,1,0|2,0,0]=4 98 B15R2.38 IC1=C(OC2=CC=CC=C2)C=CC=C1 W17299 [1,0,0,0,1,0|1,0,0]=3 99 B15R2.38 NC1=C(OC2=CC=CC=C2)C=CC=N1 75896 [1,0,0,0,1,0|2,0,0]=4 100 B15R2.38 NC1=C(OC2=CC=CC=C2)C=NC=C1 W10165 [1,0,0,0,1,0|2,0,0]=4 101 B15R2.2226 CP(C1=CC=CC=C1)C2=CC=CC=C2 D94667 [1,0,0,0,1,0|2,0,0]=4 102 B15R2.2226 O=C(C1=CN=CC=C1)C2=CN=CC=C2 C74841 [1,0,0,0,1,0|2,0,0]=4 103 B15R2.395 CN1C=CC=C1C(=O)C2=CC=CC=C2 N16896 [0,0,0,0,2,0|2,0,0]=4 104 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 D77312 [1,0,0,0,0,1|1,0,0]=3 105 B19R2.4485 O=C(NC1=C(O)N=CC=C1)OCC2=CC=CC=C2 78155 [0,0,0,0,0,2|1,0,0]=3 106 B19R2.4485 O=C(\C=C\C1=CC=CC=C1)NC2=C(F)C=CC=C2 C74343 [0,0,0,0,0,2|2,0,0]=4