0 B17R2.3417 O=C(NC1=CC=CC=C1)C2=NC=CC=C2I NO12485 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 NO16825 [1,0,0,0,0,0|2,0,0]=3 2 B16R2.88 O=C(NC1=CC=CN=C1)C2=CC=NC=C2 DY552939 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.88 O=C(OC1=CC=CC=C1)C2=CC=NC=C2 DY663863 [1,0,0,0,0,0|1,0,0]=2 4 B18R2.6536 NC1=C(C(=O)NC2=CC=CC=C2)C=C(F)C=C1 DY460776 [0,1,0,0,0,0|2,0,0]=3 5 B18R2.9218 O=C(CC1=CC=C(Cl)C=C1)C2=C(F)C=CC=C2 DY429120 [0,1,0,0,0,0|2,0,0]=3 6 B18R2.9218 O=C(NC1=CC=C(Cl)C=C1)C2=C(O)C=CC=C2 DY551451 [0,1,0,0,0,0|1,0,0]=2 7 B18R2.32648 NC1=C(C(=O)NC2=C(Br)C=CC=C2)C=CC=C1 DY794529 [0,1,0,0,0,0|2,0,0]=3 8 B18R3.111 NC1=C(C2=CC=CC=C2)NC3=CC=CC=C31 DY728155 [0,0,0,1,0,0|3,0,0]=4 9 B18R3.111 O=C1C2=C(C=CC=C2)SC1C3=CC=CC=C3 DY752593 [0,0,0,1,0,0|1,1,0]=3 10 B18R3.47120 NC1=C(C2=NC3=NC=CC=C3O2)C=CC=C1 DY672005 [0,0,0,1,0,0|3,0,0]=4 11 B18R3.92719 O=C1NC2=C(C=CC=C2)CC3=C1C=CC=C3 DY678273 [0,0,0,1,0,0|2,0,0]=3 12 B18R3.92719 O=C1NC2=C(C=CC=C2)SC3=C1C=CC=C3 NO11955 [0,0,0,1,0,0|1,1,0]=3 13 B18R3.92719 O=C1NC2=C(N=CC=C2)NC3=C1C=CC=C3 NO16212 [0,0,0,1,0,0|3,0,0]=4 14 B16R2.3005 O=C(NC1=CC=CC=C1)C2=C(Br)C=CN2 DY585358 [0,0,0,0,1,0|3,0,0]=4 15 B16R2.3896 CC1=C(C(N)C2=CC=CC=C2)C=CC=C1 DY606111 [0,0,0,0,1,0|2,0,1]=4 16 B16R2.3896 NC1=C(C(=O)C2=CC=CC=C2)C=CC=C1 NO19893 [0,0,0,0,1,0|1,0,0]=2 17 B16R2.3896 NC1=C(C(=O)C2=NC=CC=C2)C=CC=C1 DY650791 [0,0,0,0,1,0|2,0,0]=3 18 B16R2.3896 O=C(C1=CC=CC=C1)C2=C(F)C=CC=C2 NO21561 [0,0,0,0,1,0|1,0,0]=2 19 B16R2.3896 O=C(C1=NC=CC=C1)C2=C(F)C=CC=C2 DY713431 [0,0,0,0,1,0|2,0,0]=3 20 B18R2.4001 O=C(\C=C\C1=CC=CC=C1)C2=C(O)C=CC=C2 DY511995 [0,0,0,0,0,1|1,0,0]=2 21 B18R2.4001 O=C(\C=C\C1=CC=CN=C1)C2=C(O)C=CC=C2 DY579105 [0,0,0,0,0,1|2,0,0]=3 22 B17R2.262 NCC1=C(COC2=CC=CC=C2)C=CC=C1 DY772311 [1,1,0,0,0,0|1,0,1]=4 23 B17R2.192 O=C(OC1=CC=CC=C1)C2=CC=C(O)C=C2 DY10321 [1,1,0,0,0,0|0,0,0]=2 24 B17R2.209 NC1=CC=C(NC(=O)C2=NC=CC=C2)C=C1 DY663256 [1,1,0,0,0,0|2,0,0]=4 25 B17R2.209 O=C(Nc1ccc(Cl)cc1)c2ccccn2 DY563391 [1,1,0,0,0,0|2,0,0]=4 26 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC(F)=CC=C2 DY427190 [1,1,0,0,0,0|1,0,0]=3 27 B17R2.5293 CC1=CC=CC(CC(=O)C2=CC=CC=C2)=N1 DY654348 [1,1,0,0,0,0|2,0,0]=4 28 B17R2.5293 NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1 DY528555 [1,1,0,0,0,0|1,0,0]=3 29 B17R2.5293 O=C(CC1=NC=CC(Cl)=C1)C2=CC=CC=C2 DY654082 [1,1,0,0,0,0|2,0,0]=4 30 B17R2.5293 O=C(NC1=CC(Br)=CN=C1)C2=CC=CC=C2 DY715292 [1,1,0,0,0,0|2,0,0]=4 31 B17R2.5293 O=C(NC1=CC(O)=CC=C1)C2=CC=CC=C2 DY794835 [1,1,0,0,0,0|1,0,0]=3 32 B17R2.381 NC1=C(C(=O)C2=CC=C(Br)C=C2)C=CC=C1 NO11788 [0,1,0,0,1,0|1,0,0]=3 33 B17R2.381 O=C(C1=CC=C(F)C=C1)C2=C(Cl)C=CC=C2 DY584664 [0,1,0,0,1,0|1,0,0]=3 34 B17R2.5305 NC1=C(C(=O)C2=CC=CC=C2)C=CC=C1Cl DY560601 [0,1,0,0,1,0|1,0,0]=3 35 B17R2.5305 NC1=C(C(=O)C2=CC=CC=C2)C=CC=C1F DY528027 [0,1,0,0,1,0|1,0,0]=3 36 B17R2.5356 CC1=CC(C(=O)C2=CC=CC=C2)=C(N)C=C1 NO14779 [0,1,0,0,1,0|1,0,0]=3 37 B17R2.5356 CC1=CC(C(=O)C2=CC=CN=C2)=C(C)C=C1 DY650683 [0,1,0,0,1,0|2,0,0]=4 38 B17R2.5356 NC1=C(C(=O)C2=CC=CC=C2)C=C(Br)C=C1 NO14283 [0,1,0,0,1,0|1,0,0]=3 39 B17R2.5356 NC1=C(C(=O)C2=CC=CC=C2)C=C(Cl)C=C1 DY20155 [0,1,0,0,1,0|1,0,0]=3 40 B17R2.5356 O=C(C1=CC=CC=C1)C2=C(Cl)C=CC(Cl)=C2 DY788595 [0,1,0,0,1,0|1,0,0]=3 41 B17R2.5362 CC1=C(C(=O)C2=CC=CC=C2)C=CC(=O)N1 DY659432 [0,1,0,0,1,0|2,0,0]=4 42 B17R2.5362 CC1=C(C(=O)C2=NC=CC=C2)C=CC(F)=C1 DY654094 [0,1,0,0,1,0|2,0,0]=4 43 B17R2.5362 CC1=NC(N)=CC=C1C(=O)C2=CC=CC=C2 DY651692 [0,1,0,0,1,0|2,0,0]=4 44 B17R2.5362 O=C(C1=CC=CC=C1)C2=C(O)C=C(O)C=C2 NO11803 [0,1,0,0,1,0|0,0,0]=2 45 B17R2.20511 CC1=C(C(=O)C2=C(C)C=CN=C2)C=CC=C1 DY651433 [0,1,0,0,1,0|2,0,0]=4 46 B17R2.41752 O=C(C1=CC(Cl)=CC=C1)C2=C(Cl)C=CC=C2 DY601211 [0,1,0,0,1,0|1,0,0]=3 47 B19R2.12083 O=C(CCC1=CC=C(Br)C=C1)C2=C(O)C=CC=C2 DY788799 [0,1,0,0,0,1|1,0,0]=3 48 B19R2.61554 O=C(OCC1=CC=CC=C1)C2=C(Br)C=NC=C2Br DY449374 [0,1,0,0,0,1|2,0,0]=4 49 B19R2.3420 COC1=C(C(=O)NC2=CC(N)=CC=C2)C=CC=C1 DY604108 [0,2,0,0,0,0|1,0,0]=3 50 B19R2.62542 NC1=C(S(=O)(=O)OC2=C(Cl)C=CC=C2)C=CC=C1 DY797517 [0,2,0,0,0,0|2,0,0]=4 51 B19R2.12255 O=C(CC1=CC=C(O)C=C1)C2=C(O)C=C(O)C=C2 DY532173 [0,2,0,0,0,0|1,0,0]=3 52 B19R2.4944 COC1=CC=C(CC(=O)C2=C(F)C=CC=C2)C=C1 DY429114 [0,2,0,0,0,0|2,0,0]=4 53 B19R2.50263 O=C(CC1=CC(F)=C(F)C=C1)C2=C(F)C=CC=C2 DY429108 [0,2,0,0,0,0|2,0,0]=4 54 B19R2.28949 N#CC1=C(NC(=O)C2=C(O)C=CC=C2)C=CC=C1 DY549717 [0,2,0,0,0,0|1,0,0]=3 55 B19R2.50267 CC1=CC=CC(NC(=O)C2=C(O)C=CC=C2)=C1C DY570279 [0,2,0,0,0,0|1,0,0]=3 56 B19R2.502616 CC1=CC=CC(C)=C1NC(=O)C2=C(Br)C=CC=C2 DY792693 [0,2,0,0,0,0|2,0,0]=4 57 B19R2.502616 CC1=CC=CC(C)=C1NC(=O)C2=C(O)C=CC=C2 DY566685 [0,2,0,0,0,0|1,0,0]=3 58 B19R2.191384 CCC1=CC=CC(NC(=O)C2=C(Br)C=CC=C2)=C1 DY613288 [0,2,0,0,0,0|2,0,0]=4 59 B19R2.191384 COC1=CC=CC(NC(=O)C2=C(N)C=CC=C2)=C1 DY613245 [0,2,0,0,0,0|2,0,0]=4 60 B19R2.4541611 CC1=CC(C)=CC(NC(=O)C2=C(O)C=CC=C2)=C1 DY546195 [0,2,0,0,0,0|1,0,0]=3 61 B17R2.5618 O=C(O)C1=C(OC2=CC=CC=C2)C=CC=C1 DY20707 [0,0,1,1,0,0|2,0,0]=4 62 B17R3.8708 C1=CC=C(C2=CC3=C(C=CC=C3)O2)C=C1 DY534357 [1,0,0,1,0,0|1,0,0]=3 63 B17R3.54615 BrC1=CC2=C(C=CC=C2)C3=CC=CC=C13 DY20693 [1,0,0,1,0,0|2,0,0]=4 64 B17R3.54615 O=c1oc2ccccc2c3ccccc13 DY537525 [1,0,0,1,0,0|0,0,0]=2 65 B17R3.31564 NC1=C2C(=O)OC3=C(C=CC=C3)C2=CS1 DY600707 [0,0,0,1,1,0|2,0,0]=4 66 B17R3.35227 BrC1=C2C=CC=CC2=CC3=CC=CC=C31 DY20484 [0,0,0,1,1,0|2,0,0]=4 67 B17R3.35227 CC1=C2C=CC=CC2=CC3=CC=CC=C31 DY571641 [0,0,0,1,1,0|2,0,0]=4 68 B17R3.35227 ClC1=C2C=CC=CC2=NC3=CC=CC=C31 DY20407 [0,0,0,1,1,0|2,0,0]=4 69 B17R3.35227 O=C1C2=CC=CC=C2NC3=C1C=CC=C3 NO19516 [0,0,0,1,1,0|1,0,0]=3 70 B17R3.35227 OC1C2=CC=CC=C2OC3=C1C=CC=C3 DY460104 [0,0,0,1,1,0|0,0,2]=4 71 B19R3.182 O=C1C2=CC=CC=C2N\C1=C/C3=CC=CC=C3 DY708817 [0,0,0,1,0,1|2,0,0]=4 72 B19R3.9171 O=C1C=C(C2=CC=NC=C2)OC3=CC=CC=C13 DY547389 [0,0,0,1,0,1|2,0,0]=4 73 B19R3.6049 O=C1C2=CC=CC=C2C(O)=C1C3=CC=NC=C3 DY566715 [0,1,0,1,0,0|2,0,0]=4 74 B19R3.8306 CC1=CC=CC2=C1OC3=C(C=CC=C3)CC2=O DY106660 [0,1,0,1,0,0|1,0,0]=3 75 B19R3.4334 OC1=C(C2=NC3=C(C=CC=C3)N2)C=C(Br)C=C1 NO12457 [0,1,0,1,0,0|2,0,0]=4 76 B19R3.288 O=C1NC2=CC=CC=C2\C1=C\C3=CC=CC=C3 DY629960 [0,1,0,1,0,0|2,0,0]=4 77 B15R2.38 ClC1=C(CC2=CC=CC=C2)C=CC=C1 DY794055 [1,0,0,0,1,0|1,0,1]=4 78 B15R2.38 ClC1=C(NC2=CC=CC=C2)C=CC=C1 DY584980 [1,0,0,0,1,0|2,0,0]=4 79 B15R2.38 ClC1=C(OC2=CC=CC=C2)C=CC=C1 DY793755 [1,0,0,0,1,0|1,0,0]=3 80 B15R2.38 NC1=CC=CC=C1SC2=CC=CC=C2 DY20575 [1,0,0,0,1,0|1,1,0]=4 81 B15R2.38 NC1=NC=CC=C1OC2=CC=CC=C2 NO17614 [1,0,0,0,1,0|2,0,0]=4 82 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 NO14092 [1,0,0,0,1,0|0,0,1]=3 83 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 DY20802 [1,0,0,0,1,0|1,0,1]=4 84 B15R2.2226 CN(C1=CC=CC=C1)C2=CC=CC=C2 DY460278 [1,0,0,0,1,0|2,0,0]=4 85 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 DY558813 [1,0,0,0,1,0|1,0,0]=3 86 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 NO10990 [1,0,0,0,1,0|1,0,0]=3 87 B15R2.2226 N[NH+](C1=CC=CC=C1)C2=CC=CC=C2 DY20411 [1,0,0,0,1,0|2,0,0]=4 88 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 NO19945 [1,0,0,0,1,0|1,0,0]=3 89 B15R2.2226 O=C(C1=CC=CN=C1)C2=NC=CC=C2 DY601193 [1,0,0,0,1,0|2,0,0]=4 90 B15R2.2226 O=C(C1=NC=CC=C1)C2=NC=CC=C2 NO11214 [1,0,0,0,1,0|2,0,0]=4 91 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 NO11269 [1,0,0,0,1,0|1,0,0]=3 92 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 NO16259 [1,0,0,0,1,0|0,0,2]=4 93 B17R2.2342 O=C(OCC1=CC=CC=C1)C2=CN=CC=C2 DY20700 [1,0,0,0,0,1|1,0,0]=3 94 B17R2.2342 S=C(SCC1=CC=CC=C1)C2=CC=CC=C2 DY545739 [1,0,0,0,0,1|0,2,0]=4