0 B18R2.4001 C\C(=N/NC1=CC=CC=C1)C2=C(N)C=CC=C2 AB22814 [0,0,0,0,0,0|4,0,0]=4 1 B18R2.4001 NC1=C(C(=O)OCC2=CC=CC=C2)C=CC=C1 A12861 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 D77312 [1,0,0,0,0,0|1,0,0]=2 3 B19R2.4401 O=C(NCC1=CN=CC=C1)C2=CC=CC(Cl)=C2Cl C12713 [0,1,0,0,0,0|3,0,0]=4 4 B19R2.4531 O=C(C=CC1=CC=CC=C1)C2=C(O)C=C(O)C=C2 D94576 [0,1,0,0,0,0|1,0,1]=3 5 B19R3.9171 O=C1OC(C2=CC=CC=C2)=NC3=C1C=CC=C3 T70020 [0,0,0,1,0,0|1,0,1]=3 6 B17R2.3417 O=C(CC1=CC=CC=C1)C2=C(O)C=CC=C2 T70645 [0,0,0,0,1,0|0,0,0]=1 7 B17R2.3417 O=C(CC1=CC=NC=C1)C2=C(Cl)C=CC=C2 C74059 [0,0,0,0,1,0|2,0,0]=3 8 B19R2.4485 O=C(NC1=C(O)N=CC=C1)OCC2=CC=CC=C2 78155 [0,0,0,0,0,1|1,0,0]=2 9 B19R2.4485 O=C(\C=C\C1=CC=CC=C1)NC2=C(F)C=CC=C2 C74343 [0,0,0,0,0,1|2,0,1]=4 10 B18R2.253 CC1=CC=C(C(=O)OCC2=CC=CC=C2)C=C1 A11094 [1,1,0,0,0,0|0,0,0]=2 11 B18R2.253 NC1=CC=C(C(=O)OCC2=CC=CC=C2)C=C1 21144 [1,1,0,0,0,0|0,0,0]=2 12 B18R2.253 O=C(CCC1=CC=CC=C1)C2=CC=C(Cl)C=C2 N10438 [1,1,0,0,0,0|1,0,0]=3 13 B18R2.3634 O=C(\C=C(\[O-])C1=CC=CC=C1)C2=CC=CC=C2 11602 [1,1,0,0,0,0|1,0,1]=4 14 B18R2.6463 NC1=CC=CC(C(=O)NCC2=CC=CC=C2)=C1 F20160 [1,1,0,0,0,0|1,0,0]=3 15 B18R2.6463 O=C(OCC1=CC=CC=C1)C2=CC(O)=CC=C2 76477 [1,1,0,0,0,0|0,0,0]=2 16 B18R2.3047 COC1=C(C(=O)CC2=CC=CC=C2)C=CC=C1 C74717 [0,1,0,0,1,0|0,0,0]=2 17 B18R2.6536 NC1=C(C(=O)NC2=CC=CC=C2)C=C(F)C=C1 C75807 [0,1,0,0,1,0|2,0,0]=4 18 B18R2.6536 O=C(CC1=CC=CC=C1)C2=C(O)C=CC(F)=C2 AC5953 [0,1,0,0,1,0|0,0,0]=2 19 B18R2.9218 O=C(CC1=CC=C(Cl)C=C1)C2=C(F)C=CC=C2 33728 [0,1,0,0,1,0|1,0,0]=3 20 B18R2.9218 O=C(NC1=CC=C(Br)C=C1)C2=C(O)C=CC=C2 T70686 [0,1,0,0,1,0|1,0,0]=3 21 B18R2.9218 O=C(NC1=CC=C(Cl)C=C1)C2=C(O)C=CC=C2 D80947 [0,1,0,0,1,0|1,0,0]=3 22 B20R2.75750 O=C(NC1=C(F)C=C(F)C=C1)OCC2=CC=CC=C2 78154 [0,1,0,0,0,1|1,0,0]=3 23 B20R2.15570 O=C(\C=C\C1=CC=C(O)C=C1)C2=C(O)C=C(O)C=C2 I11575 [0,2,0,0,0,0|1,0,1]=4 24 B20R2.4821 CC1=CC(C(=O)CC(=O)C2=CC=CC=C2)=C(O)C=C1 91109 [0,2,0,0,0,0|1,0,1]=4 25 B18R3.111 O=C1C2=C(C=CC=C2)CN1C3=CC=CC=C3 59726 [0,0,0,1,1,0|2,0,0]=4 26 B18R3.111 O=C1C2=C(C=CC=C2)C[C@@H]1C3=CC=CC=C3 D86929 [0,0,0,1,1,0|1,0,0]=3 27 B18R3.2098 C1=CC=C(CC2=NNC3=C2C=CC=C3)C=C1 C75220 [0,0,0,1,1,0|2,0,0]=4 28 B18R3.47120 OC1=C(C2=CC3=C(C=CC=C3)N2)C=CC=C1 78420 [0,0,0,1,1,0|1,0,1]=4 29 B18R3.92719 O=C1CC2=C(C=CC=C2)NC3=C1C=CC=C3 A10686 [0,0,0,1,1,0|1,0,0]=3 30 B18R3.92719 O=C1NC2=C(C=CC=C2)NC3=C1C=CC=C3 C13076 [0,0,0,1,1,0|2,0,0]=4 31 B20R3.13449 O=C1CN(CC2=CC=CC=C2)CC3=C1C=CC=C3 C74929 [0,0,0,1,0,1|2,0,0]=4 32 B20R3.2720 C1=CC=C(COC2=CC=CC3=CC=CC=C32)C=C1 C75838 [0,1,0,1,0,0|2,0,0]=4 33 B20R3.277426 O=C1C=C(C2=CC=CC=C2)OC3=C1C=CC(O)=C3 A12739 [0,1,0,1,0,0|1,0,1]=4 34 B20R3.263189 O=C1C[C@@H](C2=CC=CC=C2)OC3=C1C=C(O)C=C3 A12518 [0,1,0,1,0,0|1,0,0]=3 35 B20R3.5740 O=C1C[C@@H](C2=C(O)C=CC=C2)OC3=C1C=CC=C3 T71923 [0,1,0,1,0,0|1,0,0]=3 36 B20R3.247868 O=C1C=C(C2=CC=CC=C2)OC3=C1C(O)=CC=C3 C13276 [0,1,0,1,0,0|1,0,1]=4 37 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 C75880 [1,0,0,0,1,0|2,0,0]=4 38 B16R2.88 O=C(CC1=CC=CC=C1)C2=NC=CC=C2 28067 [1,0,0,0,1,0|1,0,0]=3 39 B16R2.88 O=C(NC1=NC=CC=C1)C2=CC=CC=C2 D86229 [1,0,0,0,1,0|2,0,0]=4 40 B16R2.71 FC1=C(OCC2=CC=CC=C2)C=CC=C1 C74898 [1,0,0,0,1,0|1,0,0]=3 41 B16R2.71 IC1=C(OCC2=CC=CC=C2)C=CC=C1 C11685 [1,0,0,0,1,0|1,0,0]=3 42 B16R2.3896 C[C@@H](C1=CC=CC=C1)C2=C(O)C=CC=C2 A11642 [0,0,0,0,2,0|1,0,1]=4 43 B16R2.3896 NC1=C(C(=O)C2=CC=NC=C2)C=CC=C1 P16522 [0,0,0,0,2,0|2,0,0]=4 44 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(O)C=CC=C2 W18696 [0,0,0,0,2,0|0,0,0]=2 45 B16R2.3896 O=C(C1=CC=CC=C1)C2=CC=CN=C2Cl C16395 [0,0,0,0,2,0|2,0,0]=4 46 B16R2.3896 O=C(C1=CN=CC=C1)C2=C(Br)C=CC=C2 W17260 [0,0,0,0,2,0|2,0,0]=4