0 B31R4.314687 O=C(Nc1cccc(c1)Nc2cc(ncn2)c3ccccc3)c4cccnc4 27a_106726388718_100011438037 [1,0,0,0,0,0|3,0,0]=4 1 B31R4.314687 O=C(Nc1cccc(c1)Nc2cccc(n2)c3ccccc3)c4ccccc4 27a_100000261839_100012022076 [1,0,0,0,0,0|3,0,0]=4 2 B31R4.314687 O=C(Nc1cccc(c1)Nc2cccc(n2)c3ccccc3)c4cccnc4 27a_106726388718_100012022076 [1,0,0,0,0,0|2,0,0]=3 3 B31R4.314687 O=C(Nc1cccc(c1)Nc2cccc(n2)c3ccccn3)c4cccnc4 27a_106726388718_100011934167 [1,0,0,0,0,0|3,0,0]=4 4 B31R4.314687 O=C(Nc1cccc(c1)Nc2cccc(n2)c3cccnc3)c4ccccc4 27a_100000261839_100012317994 [1,0,0,0,0,0|2,0,0]=3 5 B31R4.314687 O=C(Nc1cccc(c1)Nc2cccc(n2)c3cccnc3)c4cccnc4 27a_106726388718_100012317994 [1,0,0,0,0,0|1,0,0]=2 6 B31R4.314687 O=C(Nc1cccc(c1)Nc2cccc(n2)c3cccnc3)c4ccncc4 27a_100000273840_100012317994 [1,0,0,0,0,0|3,0,0]=4 7 B31R4.314687 O=C(Nc1cccc(c1)Nc2cccc(n2)c3ccncc3)c4cccnc4 27a_106726388718_200012318261 [1,0,0,0,0,0|3,0,0]=4 8 B31R4.314687 O=C(Nc1cccc(c1)Nc2ccnc(n2)c3ccccc3)c4cccnc4 27a_106726388718_100000750259 [1,0,0,0,0,0|3,0,0]=4 9 B31R4.314687 O=C(Nc1cccc(c1)Nc2cncc(n2)c3ccccc3)c4cccnc4 27a_106726388718_100000691699 [1,0,0,0,0,0|3,0,0]=4 10 B31R4.314687 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3)c4ccccc4 27a_100000261839_100011448968 [1,0,0,0,0,0|2,0,0]=3 11 B31R4.314687 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3)c4cccnc4 27a_106726388718_100011448968 [1,0,0,0,0,0|1,0,0]=2 12 B31R4.314687 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3)c4ccncc4 27a_100000273840_100011448968 [1,0,0,0,0,0|3,0,0]=4 13 B31R4.314687 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3)c4ccccc4 27a_100000261839_100012000061 [1,0,0,0,0,0|1,0,0]=2 14 B31R4.314687 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3)c4cccnc4 27a_106726388718_100012000061 [1,0,0,0,0,0|0,0,0]=1 15 B31R4.314687 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3)c4ccncc4 27a_100000273840_100012000061 [1,0,0,0,0,0|2,0,0]=3 16 B31R4.314687 O=C(Nc1cccc(c1)Sc2cccc(n2)c3cccnc3)c4ccccc4 62a_100012317994_100000153631 [1,0,0,0,0,0|3,0,0]=4 17 B31R4.314687 O=C(Nc1cccc(c1)Sc2nccc(n2)c3ccccc3)c4ccccc4 62a_100011448968_100000153631 [1,0,0,0,0,0|3,0,0]=4 18 B31R4.314687 O=C(Nc1cccc(c1)Sc2nccc(n2)c3cccnc3)c4ccccc4 62a_100012000061_100000153631 [1,0,0,0,0,0|2,0,0]=3 19 B31R4.423304 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)OCc4ccccc4 27a_100102952765_100012000061 [1,0,0,0,0,0|2,0,1]=4 20 B33R4.36332013 O=C(Nc1ccc(c(c1)Nc2cccc(n2)c3cccnc3)F)c4ccccc4I 27a_100000511912_100012317994 [0,1,0,0,0,0|3,0,0]=4 21 B33R4.36332013 O=C(Nc1ccc(c(c1)Nc2nccc(n2)c3ccccc3)F)c4ccccc4I 27a_100000511912_100011448968 [0,1,0,0,0,0|3,0,0]=4 22 B33R4.36332013 O=C(Nc1ccc(c(c1)Nc2nccc(n2)c3cccnc3)Cl)c4ccccc4I 27a_100000511943_100012000061 [0,1,0,0,0,0|2,0,0]=3 23 B33R4.36332013 O=C(Nc1ccc(c(c1)Nc2nccc(n2)c3cccnc3)F)c4ccccc4I 27a_100000511912_100012000061 [0,1,0,0,0,0|2,0,0]=3 24 B32R4.3589930 Cc1cc(nc(n1)Nc2cccc(c2)NC(=O)c3ccccc3)c4ccccc4 27a_100000261839_100012350297 [1,1,0,0,0,0|2,0,0]=4 25 B32R4.3589930 Cc1cc(nc(n1)Nc2cccc(c2)NC(=O)c3cccnc3)c4ccccc4 27a_106726388718_100012350297 [1,1,0,0,0,0|1,0,0]=3 26 B32R4.3589930 Cc1cc(nc(n1)c2cccnc2)Nc3cccc(c3)NC(=O)c4cccnc4 27a_106726388718_100000740347 [1,1,0,0,0,0|2,0,0]=4 27 B32R4.3750801 Nc1ccc(cc1)c2ccnc(n2)Nc3cccc(c3)NC(=O)c4ccccc4 27a_100000261839_200010589329 [1,1,0,0,0,0|2,0,0]=4 28 B32R4.3750801 Nc1ccc(cc1)c2ccnc(n2)Nc3cccc(c3)NC(=O)c4cccnc4 27a_106726388718_200010589329 [1,1,0,0,0,0|1,0,0]=3 29 B32R4.3750801 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccc(cc3)F)c4ccccc4 27a_100000261839_100012232393 [1,1,0,0,0,0|2,0,0]=4 30 B32R4.3750801 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccc(cc3)F)c4cccnc4 27a_106726388718_100012232393 [1,1,0,0,0,0|1,0,0]=3 31 B32R4.3945384 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccc(c3)F)c4ccccc4 27a_100000261839_100012356558 [1,1,0,0,0,0|2,0,0]=4 32 B32R4.3945384 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccc(c3)F)c4cccnc4 27a_106726388718_100012356558 [1,1,0,0,0,0|1,0,0]=3 33 B32R4.3945384 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cncc(c3)F)c4ccccc4 27a_100000261839_200012501547 [1,1,0,0,0,0|1,0,0]=3 34 B32R4.3945384 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cncc(c3)F)c4cccnc4 27a_106726388718_200012501547 [1,1,0,0,0,0|0,0,0]=2 35 B32R4.3945384 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cncc(c3)F)c4ccncc4 27a_100000273840_200012501547 [1,1,0,0,0,0|2,0,0]=4 36 B32R4.3945384 O=C(Nc1cccc(c1)Sc2nccc(n2)c3cncc(c3)F)c4ccccc4 62a_200012501547_100000153631 [1,1,0,0,0,0|2,0,0]=4 37 B32R4.5773821 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3F)c4ccccc4 27a_100000261839_100012356570 [1,1,0,0,0,0|2,0,0]=4 38 B32R4.5773821 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3F)c4cccnc4 27a_106726388718_100012356570 [1,1,0,0,0,0|1,0,0]=3 39 B32R4.5773821 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3F)c4ccccc4 27a_100000261839_200010210936 [1,1,0,0,0,0|1,0,0]=3 40 B32R4.5773821 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3F)c4cccnc4 27a_106726388718_200010210936 [1,1,0,0,0,0|0,0,0]=2 41 B32R4.5773821 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3F)c4ccncc4 27a_100000273840_200010210936 [1,1,0,0,0,0|2,0,0]=4 42 B32R4.5773821 O=C(Nc1cccc(c1)Sc2nccc(n2)c3cccnc3F)c4ccccc4 62a_200010210936_100000153631 [1,1,0,0,0,0|2,0,0]=4 43 B32R4.10274194 Cc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cccc(n3)c4cccnc4 27a_200000612868_100012317994 [1,1,0,0,0,0|2,0,0]=4 44 B32R4.10274194 Cc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4ccccc4 27a_200000612868_100011448968 [1,1,0,0,0,0|2,0,0]=4 45 B32R4.10274194 Cc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4 27a_200000612868_100012000061 [1,1,0,0,0,0|1,0,0]=3 46 B32R4.10274194 O=C(Nc1cccc(c1)Nc2cccc(n2)c3cccnc3)c4ccc(cc4)Br 27a_100000612865_100012317994 [1,1,0,0,0,0|2,0,0]=4 47 B32R4.10274194 O=C(Nc1cccc(c1)Nc2cccc(n2)c3cccnc3)c4ccc(cc4)Cl 27a_100000404362_100012317994 [1,1,0,0,0,0|2,0,0]=4 48 B32R4.10274194 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3)c4ccc(cc4)Br 27a_100000612865_100011448968 [1,1,0,0,0,0|2,0,0]=4 49 B32R4.10274194 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3)c4ccc(cc4)Cl 27a_100000404362_100011448968 [1,1,0,0,0,0|2,0,0]=4 50 B32R4.10274194 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3)c4ccc(cc4)Br 27a_100000612865_100012000061 [1,1,0,0,0,0|1,0,0]=3 51 B32R4.10274194 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3)c4ccc(cc4)Cl 27a_100000404362_100012000061 [1,1,0,0,0,0|1,0,0]=3 52 B32R4.58450969 Cc1cccc(c1)C(=O)Nc2cccc(c2)Nc3cccc(n3)c4cccnc4 27a_106630657941_100012317994 [1,1,0,0,0,0|2,0,0]=4 53 B32R4.58450969 Cc1cccc(c1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4ccccc4 27a_106630657941_100011448968 [1,1,0,0,0,0|2,0,0]=4 54 B32R4.58450969 Cc1cccc(c1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4 27a_106630657941_100012000061 [1,1,0,0,0,0|1,0,0]=3 55 B34R4.335430767 O=C(Nc1ccc(c(c1)Nc2nccc(n2)c3cncc(c3)F)Cl)c4ccccc4I 27a_100000511943_200012501547 [0,2,0,0,0,0|2,0,0]=4 56 B34R4.335430767 O=C(Nc1ccc(c(c1)Nc2nccc(n2)c3cncc(c3)F)F)c4ccccc4I 27a_100000511912_200012501547 [0,2,0,0,0,0|2,0,0]=4 57 B32R4.301203 O=C(Nc1ccc(cc1)CNc2nccc(n2)c3cccnc3)c4cccnc4 27a_100000630909_100012000061 [0,0,1,1,0,0|0,0,2]=4 58 B32R5.2317422 c1cncc(c1)c2ccnc(n2)Nc3ccc4[nH]c(nc4c3)c5cccnc5 27a_100000299070_100012000061 [1,0,0,1,0,0|1,0,1]=4 59 B30R4.6708 O=C(Nc1cccc(c1)c2cc(ccn2)c3ccccc3)c4cccnc4 271570a_200010725342_100000733892 [1,0,0,0,1,0|2,0,0]=4 60 B30R4.6708 O=C(Nc1cccc(c1)c2cccc(c2)c3cccnc3)c4cccnc4 271570a_200010725342_100010074666 [1,0,0,0,1,0|2,0,0]=4 61 B30R4.6708 O=C(Nc1cccc(c1)c2cccc(n2)c3ccccc3)c4cccnc4 271570a_200010725342_100012022076 [1,0,0,0,1,0|2,0,0]=4 62 B30R4.6708 O=C(Nc1cccc(c1)c2cccc(n2)c3cccnc3)c4ccccc4 271570a_100017122680_100012317994 [1,0,0,0,1,0|2,0,0]=4 63 B30R4.6708 O=C(Nc1cccc(c1)c2cccc(n2)c3cccnc3)c4cccnc4 271570a_200010725342_100012317994 [1,0,0,0,1,0|1,0,0]=3 64 B30R4.6708 O=C(Nc1cccc(c1)c2nccc(n2)c3ccccc3)c4ccccc4 271570a_100017122680_100011448968 [1,0,0,0,1,0|2,0,0]=4 65 B30R4.6708 O=C(Nc1cccc(c1)c2nccc(n2)c3ccccc3)c4cccnc4 271570a_200010725342_100011448968 [1,0,0,0,1,0|1,0,0]=3 66 B30R4.6708 O=C(Nc1cccc(c1)c2nccc(n2)c3cccnc3)c4ccccc4 271570a_100017122680_100012000061 [1,0,0,0,1,0|1,0,0]=3 67 B30R4.6708 O=C(Nc1cccc(c1)c2nccc(n2)c3cccnc3)c4ccccn4 271570a_200018232592_100012000061 [1,0,0,0,1,0|2,0,0]=4 68 B30R4.6708 O=C(Nc1cccc(c1)c2nccc(n2)c3cccnc3)c4cccnc4 271570a_200010725342_100012000061 [1,0,0,0,1,0|0,0,0]=2 69 B30R4.234317 O=C(Nc1cccc(c1)Nc2cccc(n2)c3cccnc3)c4ccco4 27a_100000186508_100012317994 [1,0,0,0,1,0|2,0,0]=4 70 B30R4.234317 O=C(Nc1cccc(c1)Nc2cccc(n2)c3cccnc3)c4cccs4 27a_100000188680_100012317994 [1,0,0,0,1,0|2,0,0]=4 71 B30R4.234317 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3)c4ccco4 27a_100000186508_100011448968 [1,0,0,0,1,0|2,0,0]=4 72 B30R4.234317 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccccc3)c4cccs4 27a_100000188680_100011448968 [1,0,0,0,1,0|2,0,0]=4 73 B30R4.234317 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3)c4ccco4 27a_100000186508_100012000061 [1,0,0,0,1,0|1,0,0]=3 74 B30R4.234317 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccnc3)c4cccs4 27a_100000188680_100012000061 [1,0,0,0,1,0|1,0,0]=3 75 B30R4.234320 O=C(Nc1cccc(c1)Nc2nc(cs2)c3ccccc3)c4cccnc4 27a_106726388718_100011830410 [1,0,0,0,1,0|2,0,0]=4 76 B30R4.234320 O=C(Nc1cccc(c1)Nc2ncc(o2)c3ccccc3)c4cccnc4 27a_106726388718_100000729704 [1,0,0,0,1,0|2,0,0]=4 77 B30R4.234320 O=C(Nc1cccc(c1)Nc2ncc(s2)c3ccccc3)c4cccnc4 27a_106726388718_100000685549 [1,0,0,0,1,0|2,0,0]=4 78 B30R4.234320 O=C(Nc1cccc(c1)Nc2noc(n2)c3ccccc3)c4cccnc4 27a_106726388718_200000701163 [1,0,0,0,1,0|2,0,0]=4 79 B30R4.6019553 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccco3)c4ccccc4 27a_100000261839_100011935169 [1,0,0,0,1,0|2,0,0]=4 80 B30R4.6019553 O=C(Nc1cccc(c1)Nc2nccc(n2)c3ccco3)c4cccnc4 27a_106726388718_100011935169 [1,0,0,0,1,0|1,0,0]=3 81 B30R4.6019553 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccs3)c4ccccc4 27a_100000261839_200011934877 [1,0,0,0,1,0|2,0,0]=4 82 B30R4.6019553 O=C(Nc1cccc(c1)Nc2nccc(n2)c3cccs3)c4cccnc4 27a_106726388718_200011934877 [1,0,0,0,1,0|1,0,0]=3 83 B30R4.6019553 O=C(Nc1cccc(c1)Nc2nccc(n2)n3cccn3)c4ccccc4 27a_100000261839_100000755582 [1,0,0,0,1,0|2,0,0]=4 84 B30R4.6019553 O=C(Nc1cccc(c1)Nc2nccc(n2)n3cccn3)c4cccnc4 27a_106726388718_100000755582 [1,0,0,0,1,0|1,0,0]=3 85 B30R4.11848766 O=C(c1ccccc1)c2cccc(c2)Sc3nccc(n3)c4cccnc4 62a_100011267660_100012000061 [1,0,0,0,1,0|2,0,0]=4 86 B30R4.11848766 O=C(c1ccccc1)c2cccc(c2)Sc3nccc(n3)c4cccnc4 62a_100012000061_100011267660 [1,0,0,0,1,0|2,0,0]=4 87 B30R4.304395 Cc1ccc(cc1c2nccc(n2)c3cccnc3)OCc4cccnc4 271570a_106741698540_100012000061 [1,0,0,0,1,0|1,0,1]=4 88 B32R4.301915 O=C(Nc1cccc(c1)NCc2cccc(c2)c3cccnc3)c4cccnc4 207a_106726388718_100000690492 [1,0,0,0,0,1|2,0,0]=4 89 B32R4.301915 O=C(Nc1cccc(c1)NCc2cccc(c2)c3cccnc3)c4cccnc4 270302a_106726388718_100000690492 [1,0,0,0,0,1|2,0,0]=4 90 B32R4.301915 O=C(Nc1cccc(c1)NCc2cccc(n2)c3ccccc3)c4cccnc4 207a_106726388718_100000101198 [1,0,0,0,0,1|2,0,0]=4 91 B32R4.8039900 O=C(Nc1cccc(c1)Nc2nccc(n2)Nc3ccccc3)c4ccccc4 27a_100000261839_200011209915 [1,0,0,0,0,1|2,0,0]=4 92 B32R4.8039900 O=C(Nc1cccc(c1)Nc2nccc(n2)Nc3ccccc3)c4cccnc4 27a_106726388718_200011209915 [1,0,0,0,0,1|1,0,0]=3 93 B32R4.8039900 O=C(Nc1cccc(c1)Nc2nccc(n2)Oc3ccccc3)c4ccccc4 27a_100000261839_100000722766 [1,0,0,0,0,1|2,0,0]=4 94 B32R4.8039900 O=C(Nc1cccc(c1)Nc2nccc(n2)Oc3ccccc3)c4cccnc4 27a_106726388718_100000722766 [1,0,0,0,0,1|1,0,0]=3 95 B32R4.65158234 O=C(Cc1ccccc1)Nc2cccc(c2)Nc3cccc(n3)c4cccnc4 27a_100015185495_100012317994 [1,0,0,0,0,1|2,0,0]=4 96 B32R4.65158234 O=C(Cc1ccccc1)Nc2cccc(c2)Nc3nccc(n3)c4ccccc4 27a_100015185495_100011448968 [1,0,0,0,0,1|2,0,0]=4 97 B32R4.65158234 O=C(Cc1ccccc1)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4 27a_100015185495_100012000061 [1,0,0,0,0,1|1,0,0]=3 98 B32R4.65158234 O=C(Nc1ccccc1)Nc2cccc(c2)Nc3cccc(n3)c4cccnc4 27a_100015206546_100012317994 [1,0,0,0,0,1|2,0,0]=4 99 B32R4.65158234 O=C(Nc1ccccc1)Nc2cccc(c2)Nc3nccc(n3)c4ccccc4 27a_100015206546_100011448968 [1,0,0,0,0,1|2,0,0]=4 100 B32R4.65158234 O=C(Nc1ccccc1)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4 27a_100015206546_100012000061 [1,0,0,0,0,1|1,0,0]=3 101 B32R4.7253285 Cc1ccc(c(c1)Nc2cccc(n2)c3cccnc3)NC(=O)c4ccccc4 27a_200015182940_100012317994 [0,0,0,0,1,1|2,0,0]=4 102 B32R4.7253285 Cc1ccc(c(c1)Nc2nccc(n2)c3ccccc3)NC(=O)c4ccccc4 27a_200015182940_100011448968 [0,0,0,0,1,1|2,0,0]=4 103 B32R4.7253285 Cc1ccc(c(c1)Nc2nccc(n2)c3cccnc3)NC(=O)c4ccccc4 27a_200015182940_100012000061 [0,0,0,0,1,1|1,0,0]=3