0 B28R5.8853298 C1=CC(=CN=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-1348784372 [0,0,0,0,0,0|2,0,0]=2 1 B28R5.8853298 C1=CC2=CC=CC(=C2C=C1)C3=NN4C(=NN=C4C5=CC=NC=C5)S3 MCULE-3429606011 [0,0,0,0,0,0|2,0,0]=2 2 B28R5.8853298 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-9463126743 [0,0,0,0,0,0|1,0,0]=1 3 B28R5.8853298 C1=CN=C(C=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-9590770193 [0,0,0,0,0,0|0,0,0]=0 4 B29R5.261117 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC=CC=C5)S3 MCULE-5184941895 [0,1,0,0,0,0|2,0,0]=3 5 B29R5.261117 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC=CN=C5)S3 MCULE-2663902461 [0,1,0,0,0,0|3,0,0]=4 6 B29R5.261117 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=NC=CC=C5)S3 MCULE-5443145312 [0,1,0,0,0,0|1,0,0]=2 7 B29R5.261117 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=NC=CN=C5)S3 MCULE-8003450346 [0,1,0,0,0,0|2,0,0]=3 8 B29R5.261117 CC1=NC2=CC=CC=C2C(=C1)C3=NN4C(=NN=C4C5=CC=CC=C5)S3 MCULE-1936192825 [0,1,0,0,0,0|2,0,0]=3 9 B29R5.54606543 CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-5770334150 [0,1,0,0,0,0|1,0,0]=2 10 B29R5.56651480 BrC1=CN=CC(=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-2659877555 [0,1,0,0,0,0|2,0,0]=3 11 B29R5.56651480 CC1=CC(=CC=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-5889909877 [0,1,0,0,0,0|1,0,0]=2 12 B29R5.56651480 ClC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-7503707322 [0,1,0,0,0,0|1,0,0]=2 13 B29R5.56651480 FC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-8318382095 [0,1,0,0,0,0|1,0,0]=2 14 B29R5.73163348 BrC1=C(C=CC=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-3342353427 [0,1,0,0,0,0|1,0,0]=2 15 B27R4.215086 C=CCOC1=CC=CC(=C1)C2=NN3C(=NN=C3C4=NC=CC=C4)S2 MCULE-9562527785 [0,0,1,0,0,0|1,0,1]=3 16 B27R4.2425084 S=C1NN=C(N1N=CC2=CC=CC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-8541306590 [0,0,1,0,0,0|1,0,2]=4 17 B27R4.2949330 CN1C(=NN=C1C2=CC=CC=N2)SCC3=C4C=CC=CC4=CC=C3 MCULE-2321964033 [0,0,1,0,0,0|1,0,1]=3 18 B27R4.2949330 CN1C(=NN=C1C2=NC=CN=C2)SCC3=CC=CC4=C3C=CC=C4 MCULE-9292265034 [0,0,1,0,0,0|2,0,1]=4 19 B27R4.2949330 NN1C(=NN=C1C2=CC=CC=C2)SCC3=CC=CC4=C3C=CC=C4 MCULE-6454093937 [0,0,1,0,0,0|1,0,2]=4 20 B27R4.2949330 NN1C(=NN=C1C2=NC=CC=C2)SCC3=CC=CC4=C3C=CC=C4 MCULE-5688458397 [0,0,1,0,0,0|0,0,2]=3 21 B27R5.1659817 C1=CC2=C(C=C1)C(=CN2)C3=NN4C(=NN=C4C5=CC=NC=C5)S3 MCULE-6614548304 [0,0,0,0,1,0|3,0,0]=4 22 B27R5.1659817 C1=CC2=C(C=C1)C(=CN2)C3=NN4C(=NN=C4C5=NC=CN=C5)S3 MCULE-9875044179 [0,0,0,0,1,0|2,0,0]=3 23 B27R5.1659817 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-1953866926 [0,0,0,0,1,0|2,0,0]=3 24 B27R5.1659817 C1=CC=C(N=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-8458575840 [0,0,0,0,1,0|1,0,0]=2 25 B27R5.1659817 C1=CN=CC(=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-4910735244 [0,0,0,0,1,0|3,0,0]=4 26 B27R5.8454633 C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-4945099581 [0,0,0,0,1,0|1,0,0]=2 27 B27R5.8454633 C1=CSC(=C1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-9525504394 [0,0,0,0,1,0|1,0,0]=2 28 B29R5.2893064 C1=CC=C2C(=C1)C=CC=C2CC3=NN4C(=NN=C4C5=CC=CN=C5)S3 MCULE-2252466903 [0,0,0,0,0,1|2,0,0]=3 29 B29R5.2893064 C1=CC=C2C(=C1)C=CC=C2CC3=NN4C(=NN=C4C5=CC=NC=C5)S3 MCULE-2062752271 [0,0,0,0,0,1|2,0,0]=3 30 B29R5.2893064 C1=CN=C(C=C1)C2=NN=C3N2N=C(S3)CC4=C5C=CC=CC5=CC=C4 MCULE-6878865400 [0,0,0,0,0,1|0,0,0]=1 31 B29R5.30855146 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC5=C(C=CC=C5)OC=C4 MCULE-2704909221 [0,0,0,0,0,1|2,0,0]=3 32 B29R5.648980335 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-8874695932 [0,0,0,0,0,1|1,0,0]=2 33 B28R4.8087919 O=C(C=CC1=CC=CC=C1)NC2=NN3C(=NN=C3C4=CC=CC=C4)S2 MCULE-4687022339 [0,1,1,0,0,0|2,0,0]=4 34 B28R4.4972455 OC1=C(C2=C(C=CC=C2)C=C1)C=NN3C(=NN=C3C4=CC=CC=C4)S MCULE-9237451018 [0,1,1,0,0,0|1,0,0]=3 35 B28R4.4972455 OC1=C(C2=C(C=CC=C2)C=C1)C=NN3C(=S)NN=C3C4=CC=CC=N4 MCULE-2489044198 [0,1,1,0,0,0|0,0,2]=4 36 B28R4.25252755 SC1=NN=C(N1N=CC2=CC=CC3=C2C=CC=C3)C4=C(C=CC=C4)Br MCULE-2183438636 [0,1,1,0,0,0|1,0,0]=3 37 B28R4.2281132 CCN1C(=NN=C1C2=CC=CC=N2)SCC3=C4C=CC=CC4=CC=C3 MCULE-1876686259 [0,1,1,0,0,0|1,0,1]=4 38 B28R5.2637435 BrC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-5988460935 [0,1,0,0,1,0|2,0,0]=4 39 B28R5.2637435 FC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-6638649598 [0,1,0,0,1,0|2,0,0]=4 40 B28R5.2763684 BrC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-2791764078 [0,1,0,0,1,0|2,0,0]=4 41 B28R5.2763684 ClC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-1269594273 [0,1,0,0,1,0|2,0,0]=4 42 B28R5.2763684 FC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-9638379675 [0,1,0,0,1,0|2,0,0]=4 43 B28R5.3745509 BrC1=C(C=CC=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-3098214215 [0,1,0,0,1,0|2,0,0]=4 44 B28R5.3745509 ClC1=C(C=CC=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-2446799786 [0,1,0,0,1,0|2,0,0]=4 45 B28R5.3745509 FC1=C(C=CC=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-1944091343 [0,1,0,0,1,0|2,0,0]=4 46 B28R5.4991659 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC=CO5)S3 MCULE-3964745346 [0,1,0,0,1,0|2,0,0]=4 47 B28R5.17895707 CC1=C(C=CO1)C2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-8909946580 [0,1,0,0,1,0|1,0,0]=3 48 B30R5.4728860 CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CC4=C5C=CC=CC5=CC=C4 MCULE-3452748293 [0,1,0,0,0,1|1,0,0]=3 49 B30R5.4973852 BrC1=CN=CC(=C1)C2=NN=C3N2N=C(S3)CC4=C5C=CC=CC5=CC=C4 MCULE-5028605635 [0,1,0,0,0,1|2,0,0]=4 50 B30R5.4973852 ClC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)CC4=C5C=CC=CC5=CC=C4 MCULE-9238733726 [0,1,0,0,0,1|1,0,0]=3 51 B30R5.6942815 BrC1=C(C=CC=C1)C2=NN=C3N2N=C(S3)CC4=C5C=CC=CC5=CC=C4 MCULE-7152345899 [0,1,0,0,0,1|1,0,0]=3 52 B30R5.37663663 CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC5=CC=CC=C5OC=C4 MCULE-1882036284 [0,1,0,0,0,1|2,0,0]=4 53 B30R5.10601439 O=C1C=C(C2=CC=CC=C2O1)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5 MCULE-6059481591 [0,1,0,0,0,1|2,0,0]=4 54 B30R5.78977120 CC1=CC=CC=C1CC2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-4284568124 [0,1,0,0,0,1|1,0,0]=3 55 B30R5.78977120 FC1=C(C=CC=C1)CC2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-1309703931 [0,1,0,0,0,1|1,0,0]=3 56 B30R5.104176864 FC1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-5235017321 [0,1,0,0,0,1|1,0,0]=3 57 B30R5.4728843 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC=C(C=C5)Br)S3 MCULE-4211014704 [0,2,0,0,0,0|2,0,0]=4 58 B30R5.4973838 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC(=CC=C5)Br)S3 MCULE-5476978990 [0,2,0,0,0,0|2,0,0]=4 59 B30R5.4973838 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC(=CC=C5)Cl)S3 MCULE-1754212137 [0,2,0,0,0,0|2,0,0]=4 60 B30R5.4973838 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=CC(=CC=C5)F)S3 MCULE-8446611683 [0,2,0,0,0,0|2,0,0]=4 61 B30R5.6942795 CC1=CC(=C2C=CC=CC2=N1)C3=NN4C(=NN=C4C5=C(C=CC=C5)Br)S3 MCULE-4901476303 [0,2,0,0,0,0|2,0,0]=4 62 B30R5.254696554 CC1=CC(=C2C=C(C=CC2=N1)Br)C3=NN4C(=NN=C4C5=CC=CC=C5)S3 MCULE-6177859374 [0,2,0,0,0,0|2,0,0]=4 63 B30R5.254696554 CC1=CC(=C2C=C(C=CC2=N1)Cl)C3=NN4C(=NN=C4C5=CC=CC=C5)S3 MCULE-4044147375 [0,2,0,0,0,0|2,0,0]=4 64 B30R5.6162577 COC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-6656849854 [0,2,0,0,0,0|1,0,0]=3 65 B30R5.141501921 COC1=C(C=CC=C1)C2=NN=C3N2N=C(S3)C4=CC=CC5=CC=CC=C45 MCULE-2939465848 [0,2,0,0,0,0|1,0,0]=3 66 B28R5.1709338 C1=CC2=CC=C(N=C2C=C1)C3=NN4C(=NN=C4C5=NC=CN=C5)S3 MCULE-7176021749 [0,0,1,1,0,0|2,0,0]=4 67 B28R5.1709338 C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=NC5=C(C=CC=C5)C=C4 MCULE-2754064230 [0,0,1,1,0,0|2,0,0]=4 68 B28R5.1709338 C1=CC=C2C=C(C=CC2=C1)C3=NN4C(=NN=C4C5=CN=CC=C5)S3 MCULE-7059020646 [0,0,1,1,0,0|2,0,0]=4 69 B28R5.1709338 C1=CC=C2C=C(C=CC2=C1)C3=NN4C(=NN=C4C5=NC=CC=C5)S3 MCULE-7539393693 [0,0,1,1,0,0|0,0,0]=2 70 B28R5.1709338 C1=CN=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=C5C=CC=CC5=N4 MCULE-3796082708 [0,0,1,1,0,0|1,0,0]=3 71 B26R4.2258462 SC1=NN=C(N1N=CC2=CNC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-4329436499 [0,0,1,0,1,0|2,0,0]=4 72 B26R5.3666061 C1=COC(=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-6949556541 [0,0,0,0,2,0|2,0,0]=4 73 B26R5.3666061 C1=CSC(=C1)C2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-3619593146 [0,0,0,0,2,0|2,0,0]=4 74 B28R5.8667008 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CNC5=C4C=CC=C5 MCULE-4990310610 [0,0,0,0,1,1|2,0,0]=4 75 B28R5.8859910 C1=CC=C(C=C1)C2=NN=C3N2N=C(CS3)C4=CNC5=C4C=CC=C5 MCULE-6876778816 [0,0,0,0,1,1|2,0,0]=4 76 B28R5.1653497 C1=CC=C2C(=C1)C=CC=C2CC3=NN4C(=NN=C4C5=CC=CO5)S3 MCULE-5622347281 [0,0,0,0,1,1|1,0,0]=3 77 B28R5.1653497 C1=CC=C2C(=C1)C=CC=C2CC3=NN4C(=NN=C4C5=CC=CS5)S3 MCULE-6670697697 [0,0,0,0,1,1|1,0,0]=3 78 B30R5.21768352 C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)CC4=C5C=CC=CC5=CC=C4 MCULE-8070175954 [0,0,0,0,0,2|1,0,0]=3 79 B30R5.22099133 C1=CC=C2C(=C1)C=CC=C2OCC3=NN4C(=NN=C4C5=CC=CN=C5)S3 MCULE-9702955878 [0,0,0,0,0,2|2,0,0]=4 80 B30R5.22099133 C1=CC=C2C(=C1)C=CC=C2OCC3=NN4C(=NN=C4C5=CC=NC=C5)S3 MCULE-5702126159 [0,0,0,0,0,2|2,0,0]=4 81 B30R5.22099133 C1=CN=C(C=C1)C2=NN=C3N2N=C(S3)COC4=C5C=CC=CC5=CC=C4 MCULE-4191889571 [0,0,0,0,0,2|0,0,0]=2 82 B30R5.145277315 C1=CC=C(C=C1)CCC2=NN=C3N2N=C(S3)C4=C5C=CC=CC5=CC=C4 MCULE-2416596105 [0,0,0,0,0,2|1,0,0]=3