0 B17R2.3417 FC1=C(C(=S)NC2=CC=CC=C2)C=CC=C1 97986 [0,0,0,0,0,0|2,1,0]=3 1 B17R2.3417 NC1=C(C(=O)OC2=CC=CC=C2)C=CC=C1 T71535 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.3417 O=C(NC1=CC=CC=C1)C2=C(Cl)C=CC=C2 83488 [0,0,0,0,0,0|2,0,0]=2 3 B17R2.3417 O=C(NC1=CC=CC=C1)C2=C(F)C=CC=C2 78467 [0,0,0,0,0,0|2,0,0]=2 4 B16R2.71 BrC1=C(NCC2=CC=CC=C2)C=CC=C1 AC6680 [1,0,0,0,0,0|3,0,0]=4 5 B16R2.71 IC1=C(C#CC2=CC=CC=C2)C=CC=C1 F21412 [1,0,0,0,0,0|2,0,1]=4 6 B16R2.71 OC1=C(C#CC2=CC=CC=C2)C=CC=C1 C93232 [1,0,0,0,0,0|1,0,1]=3 7 B16R2.71 OC1=C(NCC2=NC=CC=C2)C=CC=C1 C14013 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.71 OC1=CC=CN=C1OCC2=CC=CC=C2 C76947 [1,0,0,0,0,0|3,0,0]=4 9 B16R2.88 O=C(CC1=CC=CC=C1)C2=CC=NC=C2 N12958 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.88 O=C(CC1=NC=CC=C1)C2=CC=CC=C2 F50578 [1,0,0,0,0,0|2,0,0]=3 11 B18R2.6485 NC1=CC=CC(F)=C1C(=O)NC2=CC=CC=C2 C14737 [0,1,0,0,0,0|2,0,0]=3 12 B18R2.6485 O=C(NC1=CC=NC=C1)C2=C(Cl)C=CC=C2Cl CS1149 [0,1,0,0,0,0|3,0,0]=4 13 B18R2.6543 NC1=CC(O)=C(C(=O)OC2=CC=CC=C2)C=C1 F19835 [0,1,0,0,0,0|0,0,0]=1 14 B18R2.32648 O=C(CC1=C(Br)C=CC=C1)C2=C(O)C=CC=C2 C92552 [0,1,0,0,0,0|1,0,0]=2 15 B18R2.32648 O=C(CC1=C(I)C=CC=C1)C2=C(O)C=CC=C2 C92553 [0,1,0,0,0,0|1,0,0]=2 16 B18R3.111 BrC1=C(C2=CC=CC=C2)NC3=C1C=CC=C3 D78617 [0,0,0,1,0,0|3,0,0]=4 17 B18R3.111 BrC1=C(C2=CC=CC=C2)SC3=C1C=CC=C3 95204 [0,0,0,1,0,0|2,1,0]=4 18 B18R3.111 O=C1C2=C(CN1C3=CC=CC=C3)N=CC=C2 F17764 [0,0,0,1,0,0|3,0,0]=4 19 B18R3.47120 BrC1=C(C2=CC3=C(C=CC=C3)N2)C=CC=C1 91525 [0,0,0,1,0,0|3,0,0]=4 20 B18R3.47120 CC1=C(C2=NC3=C(C=CC=C3)N2)C=CC=C1 67032 [0,0,0,1,0,0|3,0,0]=4 21 B18R3.47120 FC1=C(C2=NC3=C(C=CC=C3)N2)C=CC=C1 F15017 [0,0,0,1,0,0|3,0,0]=4 22 B18R3.47120 [O-]C1=C(C2=NC3=C(C=CC=C3)O2)C=CC=C1 T70612 [0,0,0,1,0,0|1,0,1]=3 23 B18R3.92719 ClC1=NC2=C(C=CC=C2)OC3=C1C=CC=C3 F50533 [0,0,0,1,0,0|2,0,0]=3 24 B16R2.3005 O=C(NC1=CC=CC=C1)C2=C(Br)C=CN2 95297 [0,0,0,0,1,0|3,0,0]=4 25 B18R2.4001 C\C(=N/CC1=CC=CC=C1)C2=C(O)C=CC=C2 11348 [0,0,0,0,0,1|2,0,0]=3 26 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 W18609 [2,0,0,0,0,0|1,0,1]=4 27 B17R2.262 COC1=C(C#CC2=CC=CC=C2)C=CC=C1 AC6104 [1,1,0,0,0,0|1,0,1]=4 28 B17R2.5360 OC1=C(OCC2=CC=CC=C2)C=CC(Br)=C1 W15301 [1,1,0,0,0,0|2,0,0]=4 29 B17R2.162 O\N=C(/CC1=CC=CC=C1)C2=CC=CC=C2 C16802 [1,1,0,0,0,0|1,0,1]=4 30 B17R2.192 CC1=CC=C([S@](=O)NC2=CC=CC=C2)C=C1 F15144 [1,1,0,0,0,0|2,0,0]=4 31 B17R2.192 O=C(CC1=CC=CC=C1)C2=NC=C(Cl)C=C2 N14255 [1,1,0,0,0,0|2,0,0]=4 32 B17R2.192 O=C(CC1=CC=NC=C1)C2=CC=C(F)C=C2 80632 [1,1,0,0,0,0|2,0,0]=4 33 B17R2.192 O=C(CC1=CN=CC=C1)C2=CC=C(Cl)C=C2 57880 [1,1,0,0,0,0|2,0,0]=4 34 B17R2.209 O=C(NC1=CC=C(Br)C=C1)C2=CC=CC=C2 C16357 [1,1,0,0,0,0|1,0,0]=3 35 B17R2.5273 O=C(CC1=CC=CC=C1)C2=CC(Br)=CN=C2 N14273 [1,1,0,0,0,0|2,0,0]=4 36 B17R2.5273 O=C(CC1=CC=CC=C1)C2=NC=CC(Cl)=C2 N14252 [1,1,0,0,0,0|2,0,0]=4 37 B17R2.5273 O=C(CC1=CN=CC=C1)C2=CC=CC(Cl)=C2 57882 [1,1,0,0,0,0|2,0,0]=4 38 B17R2.5293 O=C(CC1=CC(F)=NC=C1)C2=CC=CC=C2 C92292 [1,1,0,0,0,0|2,0,0]=4 39 B17R2.5293 O=C(NC1=CC(Cl)=NC=C1)C2=CC=CC=C2 D81155 [1,1,0,0,0,0|2,0,0]=4 40 B17R2.10205 [2H]\C(C1=CC=CC=C1)=C(\[2H])C2=CC=CC=C2 D97936 [1,1,0,0,0,0|2,0,0]=4 41 B17R2.381 O=C(C1=CC=C(Cl)C=C1)C2=C(Br)C=CC=C2 D85667 [0,1,0,0,1,0|1,0,0]=3 42 B17R2.381 O=C(C1=CC=C(O)C=C1)C2=C(Cl)C=CC=C2 F11674 [0,1,0,0,1,0|1,0,0]=3 43 B17R2.381 O=C(C1=CC=C(O)C=C1)C2=C(O)C=CC=C2 T71117 [0,1,0,0,1,0|0,0,0]=2 44 B17R2.5362 NC1=C(C(=O)C2=CC=CC=C2)C=CC(Br)=C1 C11088 [0,1,0,0,1,0|1,0,0]=3 45 B19R2.7667 CC1=CC=CC(NC(=O)CC2=CC=CC=C2)=C1C AC9309 [0,1,0,0,0,1|2,0,0]=4 46 B19R2.7732 O=C(NC1=C(Cl)C=C(O)C=C1)OC2=CC=CC=C2 97047 [0,1,0,0,0,1|1,0,0]=3 47 B19R2.12255 O=C(NC1=CC=C(Cl)C=C1)C2=C(F)C=C(F)C=C2 AB10033 [0,2,0,0,0,0|2,0,0]=4 48 B19R2.50263 O=C(NC1=CC(Cl)=C(Cl)C=C1)C2=C(O)C=CC=C2 T70634 [0,2,0,0,0,0|1,0,0]=3 49 B17R3.8708 C1=CC=C(C2=CC3=C(C=CC=C3)O2)C=C1 54408 [1,0,0,1,0,0|1,0,0]=3 50 B17R3.8708 C1=CC=C(N2C=C3C=CC=CC3=N2)C=C1 52798 [1,0,0,1,0,0|2,0,0]=4 51 B17R3.35227 O=C1C2=C(C=CC=C2)NC3=C1C=NC=C3 A11796 [0,0,0,1,1,0|2,0,0]=4 52 B19R3.182 O=C1C2=C(C=CC=C2)CN1CC3=CC=CC=C3 59725 [0,0,0,1,0,1|2,0,0]=4 53 B19R3.6048 O=C1C2=C(C=CC=C2)CCN1C3=CC=CC=C3 D85493 [0,1,0,1,0,0|2,0,0]=4 54 B19R3.6048 O=C1C2=C(C=CC=C2)N=NN1C3=CC=CC=C3 D74469 [0,1,0,1,0,0|2,0,0]=4 55 B19R3.4334 CC1=CC(C2=NC3=C(C=CC=C3)S2)=C(O)C=C1 F13325 [0,1,0,1,0,0|1,1,0]=4 56 B19R3.4334 OC1=C(C2=NC3=C(C=CC=C3)N2)C=C(F)C=C1 D73613 [0,1,0,1,0,0|2,0,0]=4 57 B19R3.12752 CC1=CC=C(N2CC3=C(C=CC=C3)C2=O)C=C1 59727 [0,1,0,1,0,0|2,0,0]=4 58 B19R3.87160 O=C1CC2=C(C=CC(Cl)=C2)OC3=C1C=CC=C3 C11855 [0,1,0,1,0,0|1,0,0]=3 59 B15R2.64 O=C(CC1=CC=CC=C1)C2=CC=CO2 N14290 [1,0,0,0,1,0|2,0,0]=4 60 B15R2.2226 O=C(C1=CN=CC=C1)C2=NC=CC=C2 C10337 [1,0,0,0,1,0|2,0,0]=4 61 B15R2.2226 O=[13C](C1=CC=CC=C1)C2=CC=CC=C2 D99418 [1,0,0,0,1,0|0,0,0]=2 62 B15R2.395 NC1=C(C(=O)C2=CC=CC=C2)C=CS1 83560 [0,0,0,0,2,0|2,0,0]=4 63 B19R2.4485 O=C(CCC1=CC=CC=C1)NC2=C(Br)C=CC=C2 C13230 [0,0,0,0,0,2|2,0,0]=4