0 B23R3.1974194 C(=C(c1ccccc1)c2ccccc2)CN3CCCOC3 270004a_100000131196_100000050448 [0,0,0,0,0,0|1,0,2]=3 1 B23R3.1974194 C(=C(c1ccccc1)c2ccccc2)CN3CCOCC3 270004a_100015191051_100000050448 [0,0,0,0,0,0|1,0,2]=3 2 B23R3.1974194 C(=C(c1ccccc1)c2ccccc2)CN3CCSCC3 270004a_100000737611_100000050448 [0,0,0,0,0,0|1,0,2]=3 3 B23R3.1974194 C1=C(CSCC1)CNC(c2ccccc2)c3ccccc3 270004a_100000162943_100000707794 [0,0,0,0,0,0|3,0,1]=4 4 B23R3.1974194 C1=CC(CCC1)NCC(c2ccccc2)c3ccccc3 2230a_100000739227_100000751183 [0,0,0,0,0,0|2,0,2]=4 5 B23R3.1974194 C1=CC(CCC1)OCC(c2ccccc2)c3ccccc3 7a_100011215272_100000751183 [0,0,0,0,0,0|2,0,2]=4 6 B23R3.1974194 C1=CCC(CC1)CNC(c2ccccc2)c3ccccc3 270004a_100000162943_100000189434 [0,0,0,0,0,0|2,0,2]=4 7 B23R3.1974194 C1=CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000698166_100000050448 [0,0,0,0,0,0|0,0,4]=4 8 B23R3.1974194 C1=CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000698166_100009813428 [0,0,0,0,0,0|0,0,2]=2 9 B23R3.1974194 C1=CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000698166_100009813428 [0,0,0,0,0,0|0,0,2]=2 10 B23R3.1974194 C1=CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100000698166_100009813428 [0,0,0,0,0,0|0,0,2]=2 11 B23R3.1974194 C1=CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000698166_100010140906 [0,0,0,0,0,0|1,0,2]=3 12 B23R3.1974194 C1=CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000698166_100010140906 [0,0,0,0,0,0|1,0,2]=3 13 B23R3.1974194 c1ccc(cc1)C(CCN2CCCOC2)c3ccccc3 2230a_100000131196_100009813428 [0,0,0,0,0,0|1,0,0]=1 14 B23R3.1974194 c1ccc(cc1)C(CCN2CCCOC2)c3ccccc3 269982a_100000131196_100009813428 [0,0,0,0,0,0|1,0,0]=1 15 B23R3.1974194 c1ccc(cc1)C(CCN2CCCOC2)c3ccccc3 34a_100000131196_100009813428 [0,0,0,0,0,0|1,0,0]=1 16 B23R3.1974194 c1ccc(cc1)C(CCN2CCOCC2)c3ccccc3 2230a_100015191051_100009813428 [0,0,0,0,0,0|1,0,0]=1 17 B23R3.1974194 c1ccc(cc1)C(CCN2CCOCC2)c3ccccc3 269982a_100015191051_100009813428 [0,0,0,0,0,0|1,0,0]=1 18 B23R3.1974194 c1ccc(cc1)C(CCN2CCOCC2)c3ccccc3 34a_100015191051_100009813428 [0,0,0,0,0,0|1,0,0]=1 19 B23R3.1974194 c1ccc(cc1)C(CCN2CCSCC2)c3ccccc3 2230a_100000737611_100009813428 [0,0,0,0,0,0|1,0,0]=1 20 B23R3.1974194 c1ccc(cc1)C(CCN2CCSCC2)c3ccccc3 269982a_100000737611_100009813428 [0,0,0,0,0,0|1,0,0]=1 21 B23R3.1974194 c1ccc(cc1)C(CNC2CCCCC2)c3ccccc3 270004a_100000739227_100000210434 [0,0,0,0,0,0|2,0,0]=2 22 B23R3.1974194 c1ccc(cc1)C(CNC2CCCCC2)c3ccccc3 34a_100000739227_100000210327 [0,0,0,0,0,0|2,0,0]=2 23 B23R3.1974194 c1ccc(cc1)C(CNC2CCCOC2)c3ccccc3 270004a_100000739227_100000753404 [0,0,0,0,0,0|3,0,0]=3 24 B23R3.1974194 c1ccc(cc1)C(CNC2CCCOC2)c3ccccc3 34a_100000739227_100000693364 [0,0,0,0,0,0|3,0,0]=3 25 B23R3.1974194 c1ccc(cc1)C(CNC2CCCSC2)c3ccccc3 270004a_100000739227_100000057913 [0,0,0,0,0,0|3,0,0]=3 26 B23R3.1974194 c1ccc(cc1)C(CNC2CCNCC2)c3ccccc3 270004a_100000739227_100015192401 [0,0,0,0,0,0|3,0,0]=3 27 B23R3.1974194 c1ccc(cc1)C(CNC2CCOCC2)c3ccccc3 270004a_100000739227_100011217826 [0,0,0,0,0,0|3,0,0]=3 28 B23R3.1974194 c1ccc(cc1)C(CNC2CCSCC2)c3ccccc3 270004a_100000739227_100000203788 [0,0,0,0,0,0|3,0,0]=3 29 B23R3.1974194 c1ccc(cc1)C(CNC2CCSCC2)c3ccccc3 34a_100000739227_100000069128 [0,0,0,0,0,0|3,0,0]=3 30 B23R3.1974194 c1ccc(cc1)C(COC2CCCOC2)c3ccccc3 34a_100011215272_100000693364 [0,0,0,0,0,0|3,0,0]=3 31 B23R3.1974194 c1ccc(cc1)C(COC2CCCOC2)c3ccccc3 7a_100011215272_100000693364 [0,0,0,0,0,0|3,0,0]=3 32 B23R3.1974194 c1ccc(cc1)C(COC2CCOCC2)c3ccccc3 7a_100011215272_100000686592 [0,0,0,0,0,0|3,0,0]=3 33 B23R3.1974194 c1ccc(cc1)C(COC2CCSCC2)c3ccccc3 34a_100011215272_100000069128 [0,0,0,0,0,0|3,0,0]=3 34 B23R3.1974194 c1ccc(cc1)C(COC2CCSCC2)c3ccccc3 7a_100011215272_100011500858 [0,0,0,0,0,0|3,0,0]=3 35 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 2230a_100000162943_100000211423 [0,0,0,0,0,0|2,0,0]=2 36 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 2230a_100000210473_100000211591 [0,0,0,0,0,0|2,0,0]=2 37 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 269862a_100000162943_100000211278 [0,0,0,0,0,0|2,0,0]=2 38 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 270004a_100000210473_100000210122 [0,0,0,0,0,0|2,0,0]=2 39 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 34a_100000162943_100000211423 [0,0,0,0,0,0|2,0,0]=2 40 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccccn3 2230a_100000689936_100000211423 [0,0,0,0,0,0|3,0,0]=3 41 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccccn3 269862a_100000689936_100000211278 [0,0,0,0,0,0|3,0,0]=3 42 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccccn3 270004a_100000210473_100000210380 [0,0,0,0,0,0|3,0,0]=3 43 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3cccnc3 2230a_100011232609_100000211423 [0,0,0,0,0,0|3,0,0]=3 44 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3cccnc3 270004a_100000210473_100000735413 [0,0,0,0,0,0|3,0,0]=3 45 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccncc3 2230a_100025760769_100000211423 [0,0,0,0,0,0|3,0,0]=3 46 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCC2)c3ccncc3 269862a_100025760769_100000211278 [0,0,0,0,0,0|3,0,0]=3 47 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 2230a_100000162943_100000211543 [0,0,0,0,0,0|3,0,0]=3 48 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 2230a_100000174945_100000211591 [0,0,0,0,0,0|3,0,0]=3 49 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100000210122 [0,0,0,0,0,0|3,0,0]=3 50 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 34a_100000162943_100000211543 [0,0,0,0,0,0|3,0,0]=3 51 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3ccccn3 2230a_100000689936_100000211543 [0,0,0,0,0,0|4,0,0]=4 52 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3ccccn3 270004a_100000174945_100000210380 [0,0,0,0,0,0|4,0,0]=4 53 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3cccnc3 2230a_100011232609_100000211543 [0,0,0,0,0,0|4,0,0]=4 54 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3cccnc3 270004a_100000174945_100000735413 [0,0,0,0,0,0|4,0,0]=4 55 B23R3.1974194 c1ccc(cc1)C(NCC2CCCCO2)c3ccncc3 2230a_100025760769_100000211543 [0,0,0,0,0,0|4,0,0]=4 56 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 2230a_100000162943_100000741521 [0,0,0,0,0,0|3,0,0]=3 57 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 2230a_100000720124_100000211591 [0,0,0,0,0,0|3,0,0]=3 58 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100000210122 [0,0,0,0,0,0|3,0,0]=3 59 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 34a_100000162943_100000741521 [0,0,0,0,0,0|3,0,0]=3 60 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3ccccn3 2230a_100000689936_100000741521 [0,0,0,0,0,0|4,0,0]=4 61 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3ccccn3 270004a_100000720124_100000210380 [0,0,0,0,0,0|4,0,0]=4 62 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3cccnc3 2230a_100011232609_100000741521 [0,0,0,0,0,0|4,0,0]=4 63 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3cccnc3 270004a_100000720124_100000735413 [0,0,0,0,0,0|4,0,0]=4 64 B23R3.1974194 c1ccc(cc1)C(NCC2CCCOC2)c3ccncc3 2230a_100025760769_100000741521 [0,0,0,0,0,0|4,0,0]=4 65 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 2230a_100000162943_100000754603 [0,0,0,0,0,0|3,0,0]=3 66 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 2230a_100000746373_100000211591 [0,0,0,0,0,0|3,0,0]=3 67 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 269862a_100000162943_100000749017 [0,0,0,0,0,0|3,0,0]=3 68 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100000210122 [0,0,0,0,0,0|3,0,0]=3 69 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 34a_100000162943_100000754603 [0,0,0,0,0,0|3,0,0]=3 70 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccccn3 2230a_100000689936_100000754603 [0,0,0,0,0,0|4,0,0]=4 71 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccccn3 269862a_100000689936_100000749017 [0,0,0,0,0,0|4,0,0]=4 72 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccccn3 270004a_100000746373_100000210380 [0,0,0,0,0,0|4,0,0]=4 73 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3cccnc3 2230a_100011232609_100000754603 [0,0,0,0,0,0|4,0,0]=4 74 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3cccnc3 270004a_100000746373_100000735413 [0,0,0,0,0,0|4,0,0]=4 75 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccncc3 2230a_100025760769_100000754603 [0,0,0,0,0,0|4,0,0]=4 76 B23R3.1974194 c1ccc(cc1)C(NCC2CCOCC2)c3ccncc3 269862a_100025760769_100000749017 [0,0,0,0,0,0|4,0,0]=4 77 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 2230a_100015188806_100000211591 [0,0,0,0,0,0|3,0,0]=3 78 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 269862a_100000162943_100000067145 [0,0,0,0,0,0|3,0,0]=3 79 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 270004a_100000162943_100000067145 [0,0,0,0,0,0|3,0,0]=3 80 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 270004a_100015188806_100000210122 [0,0,0,0,0,0|3,0,0]=3 81 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccccn3 269862a_100000689936_100000067145 [0,0,0,0,0,0|4,0,0]=4 82 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccccn3 270004a_100000689936_100000067145 [0,0,0,0,0,0|4,0,0]=4 83 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccccn3 270004a_100015188806_100000210380 [0,0,0,0,0,0|4,0,0]=4 84 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3cccnc3 270004a_100011232609_100000067145 [0,0,0,0,0,0|4,0,0]=4 85 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3cccnc3 270004a_100015188806_100000735413 [0,0,0,0,0,0|4,0,0]=4 86 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccncc3 269862a_100025760769_100000067145 [0,0,0,0,0,0|4,0,0]=4 87 B23R3.1974194 c1ccc(cc1)C(NCC2CCSCC2)c3ccncc3 270004a_100025760769_100000067145 [0,0,0,0,0,0|4,0,0]=4 88 B23R3.1974194 c1ccc(cc1)C(NC[C@H]2COCCO2)c3ccccc3 2230a_100010981119_100000211591 [0,0,0,0,0,0|4,0,0]=4 89 B23R3.1974194 c1ccc(cc1)C(NC[C@H]2COCCO2)c3ccccc3 270004a_100010981119_100000210122 [0,0,0,0,0,0|4,0,0]=4 90 B23R3.1974194 c1ccc(cc1)C(OCC2CCCCC2)c3ccccn3 7a_100000180852_100000211423 [0,0,0,0,0,0|3,0,0]=3 91 B23R3.1974194 c1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 34a_100000211180_100000211543 [0,0,0,0,0,0|3,0,0]=3 92 B23R3.1974194 c1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 7a_100000211180_100000211543 [0,0,0,0,0,0|3,0,0]=3 93 B23R3.1974194 c1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 7a_100000211370_100011216954 [0,0,0,0,0,0|3,0,0]=3 94 B23R3.1974194 c1ccc(cc1)C(OCC2CCCCO2)c3ccccn3 7a_100000180852_100000211543 [0,0,0,0,0,0|4,0,0]=4 95 B23R3.1974194 c1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 34a_100000211180_100000741521 [0,0,0,0,0,0|3,0,0]=3 96 B23R3.1974194 c1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 7a_100000211180_100000741521 [0,0,0,0,0,0|3,0,0]=3 97 B23R3.1974194 c1ccc(cc1)C(OCC2CCCOC2)c3ccccn3 7a_100000180852_100000741521 [0,0,0,0,0,0|4,0,0]=4 98 B23R3.1974194 c1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 34a_100000211180_100000754603 [0,0,0,0,0,0|3,0,0]=3 99 B23R3.1974194 c1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 7a_100000211180_100000754603 [0,0,0,0,0,0|3,0,0]=3 100 B23R3.1974194 c1ccc(cc1)C(OCC2CCOCC2)c3ccccn3 7a_100000180852_100000754603 [0,0,0,0,0,0|4,0,0]=4 101 B23R3.1974194 c1ccc(cc1)C(OCC2CCSCC2)c3ccccc3 7a_100000070558_100011216954 [0,0,0,0,0,0|3,0,0]=3 102 B23R3.1974194 c1ccc(cc1)C(SCC2CCCOC2)c3ccccc3 62a_100000211591_100000741521 [0,0,0,0,0,0|3,0,0]=3 103 B23R3.1974194 c1ccc(cc1)C(SCC2CCCOC2)c3ccccc3 62a_100000741521_100011216954 [0,0,0,0,0,0|3,0,0]=3 104 B23R3.1974194 c1ccc(cc1)C(SCC2CCOCC2)c3ccccc3 62a_100000211591_100000749018 [0,0,0,0,0,0|3,0,0]=3 105 B23R3.1974194 c1ccc(cc1)C(SCC2CCOCC2)c3ccccc3 62a_100000754603_100011216954 [0,0,0,0,0,0|3,0,0]=3 106 B23R3.1974194 c1ccc(cc1)[S+](CCN2CCCOC2)c3ccccc3 2230a_100000131196_100010140906 [0,0,0,0,0,0|2,0,0]=2 107 B23R3.1974194 c1ccc(cc1)[S+](CCN2CCCOC2)c3ccccc3 269982a_100000131196_100010140906 [0,0,0,0,0,0|2,0,0]=2 108 B23R3.1974194 c1ccc(cc1)[S+](CCN2CCOCC2)c3ccccc3 2230a_100015191051_100010140906 [0,0,0,0,0,0|2,0,0]=2 109 B23R3.1974194 c1ccc(cc1)[S+](CCN2CCOCC2)c3ccccc3 269982a_100015191051_100010140906 [0,0,0,0,0,0|2,0,0]=2 110 B23R3.1974194 c1ccc(cc1)[S+](CCN2CCSCC2)c3ccccc3 2230a_100000737611_100010140906 [0,0,0,0,0,0|2,0,0]=2 111 B23R3.1974194 c1ccc(cc1)[S+](CCN2CCSCC2)c3ccccc3 269982a_100000737611_100010140906 [0,0,0,0,0,0|2,0,0]=2 112 B23R3.1974194 c1ccc(nc1)C(NCC2CCCCC2)c3ccccn3 269862a_100009954364_100000211278 [0,0,0,0,0,0|4,0,0]=4 113 B23R3.1974194 c1ccc(nc1)C(NCC2CCCCC2)c3cccnc3 270004a_100000210473_100011376182 [0,0,0,0,0,0|4,0,0]=4 114 B23R3.1974194 c1cncc(c1)C(NCC2CCCCC2)c3cccnc3 270004a_100000210473_200011376183 [0,0,0,0,0,0|4,0,0]=4 115 B24R3.6559 CC(CC(c1ccccc1)c2ccccc2)N3CC=CCC3 270004a_100000698166_200000011111 [0,1,0,0,0,0|0,0,2]=3 116 B24R3.6559 CC(CC(c1ccccc1)c2ccccc2)N3CCCOC3 270004a_100000131196_200000011111 [0,1,0,0,0,0|1,0,0]=2 117 B24R3.6559 CC(CC(c1ccccc1)c2ccccc2)N3CCOCC3 270004a_100015191051_200000011111 [0,1,0,0,0,0|1,0,0]=2 118 B24R3.6559 CC(CC(c1ccccc1)c2ccccc2)N3CCSCC3 270004a_100000737611_200000011111 [0,1,0,0,0,0|1,0,0]=2 119 B24R3.6559 CC(NC(c1ccccc1)c2ccccc2)C3CCCCN3 269862a_100000162943_200011997754 [0,1,0,0,0,0|3,0,0]=4 120 B24R3.6559 CC(NC(c1ccccc1)c2ccccc2)C3CCCNC3 269862a_100000162943_100011320585 [0,1,0,0,0,0|3,0,0]=4 121 B24R3.6559 CC(NC(c1ccccc1)c2ccccc2)C3CCNCC3 269862a_100000162943_100015204191 [0,1,0,0,0,0|3,0,0]=4 122 B24R3.6559 CC(NC(c1ccccc1)c2ccccc2)C3CCOCC3 269862a_100000162943_100000759496 [0,1,0,0,0,0|3,0,0]=4 123 B24R3.6559 CC(NC(c1ccccc1)c2ccccn2)C3CCCCC3 269862a_100000689936_100000210989 [0,1,0,0,0,0|3,0,0]=4 124 B24R3.6559 CC(NC(c1ccccc1)c2ccncc2)C3CCCCC3 269862a_100025760769_100000210989 [0,1,0,0,0,0|3,0,0]=4 125 B24R3.6559 C[C@@H](NC(c1ccccc1)c2ccccn2)C3CCCCC3 270004a_100025707633_100000210380 [0,1,0,0,0,0|3,0,0]=4 126 B24R3.6559 C[C@@H](NC(c1ccccc1)c2cccnc2)C3CCCCC3 270004a_100025707633_100000735413 [0,1,0,0,0,0|3,0,0]=4 127 B24R3.6559 C[C@@H](OC(c1ccccc1)c2ccccc2)C3CCOCC3 7a_100000703848_100011216954 [0,1,0,0,0,0|3,0,0]=4 128 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)C3CCCOC3 1458a_100000499737_100000693364 [0,1,0,0,0,0|2,0,1]=4 129 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)C3CCOCC3 1458a_100000499737_100011324220 [0,1,0,0,0,0|2,0,1]=4 130 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CC=CCC3 11a_100000698166_100000499737 [0,1,0,0,0,0|0,0,3]=4 131 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CC=CCC3 1626a_100000698166_100000499737 [0,1,0,0,0,0|0,0,3]=4 132 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CC=CCC3 240690a_100000698166_100000499737 [0,1,0,0,0,0|0,0,3]=4 133 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CC=CCC3 527a_100000698166_100000499737 [0,1,0,0,0,0|0,0,3]=4 134 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCCOC3 11a_100000131196_100000499737 [0,1,0,0,0,0|1,0,1]=3 135 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCCOC3 240690a_100000131196_100000499737 [0,1,0,0,0,0|1,0,1]=3 136 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCOCC3 11a_100015191051_100000499737 [0,1,0,0,0,0|1,0,1]=3 137 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCOCC3 1626a_100015191051_100000499737 [0,1,0,0,0,0|1,0,1]=3 138 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCOCC3 240690a_100015191051_100000499737 [0,1,0,0,0,0|1,0,1]=3 139 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCOCC3 527a_100015191051_100000499737 [0,1,0,0,0,0|1,0,1]=3 140 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCSCC3 11a_100000737611_100000499737 [0,1,0,0,0,0|1,0,1]=3 141 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCSCC3 240690a_100000737611_100000499737 [0,1,0,0,0,0|1,0,1]=3 142 B24R3.6559 O=C(CC(c1ccccc1)c2ccccc2)N3CCSCC3 527a_100000737611_100000499737 [0,1,0,0,0,0|1,0,1]=3 143 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)C3CCCCC3 1458a_200020607205_100000210327 [0,1,0,0,0,0|2,0,1]=4 144 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCCOC3 11a_100000131196_200020607205 [0,1,0,0,0,0|2,0,1]=4 145 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCCOC3 240690a_100000131196_200020607205 [0,1,0,0,0,0|2,0,1]=4 146 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCOCC3 11a_100015191051_200020607205 [0,1,0,0,0,0|2,0,1]=4 147 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCOCC3 1626a_100015191051_200020607205 [0,1,0,0,0,0|2,0,1]=4 148 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCOCC3 240690a_100015191051_200020607205 [0,1,0,0,0,0|2,0,1]=4 149 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCOCC3 527a_100015191051_200020607205 [0,1,0,0,0,0|2,0,1]=4 150 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCSCC3 11a_100000737611_200020607205 [0,1,0,0,0,0|2,0,1]=4 151 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCSCC3 240690a_100000737611_200020607205 [0,1,0,0,0,0|2,0,1]=4 152 B24R3.6559 O=C(CP(c1ccccc1)c2ccccc2)N3CCSCC3 527a_100000737611_200020607205 [0,1,0,0,0,0|2,0,1]=4 153 B24R3.6559 O=C(NC(c1ccccc1)c2ccccc2)C3CCCCC3 11a_100000162943_100000210647 [0,1,0,0,0,0|2,0,1]=4 154 B24R3.6559 O=C(NC(c1ccccc1)c2ccccc2)C3CCCCC3 1626a_100000162943_100000210647 [0,1,0,0,0,0|2,0,1]=4 155 B24R3.6559 O=C(NC(c1ccccc1)c2ccccc2)C3CCCCC3 240690a_100000162943_100000210647 [0,1,0,0,0,0|2,0,1]=4 156 B24R3.6559 O=C(NC(c1ccccc1)c2ccccc2)C3CCCCC3 527a_100000162943_100000210647 [0,1,0,0,0,0|2,0,1]=4 157 B24R3.21177 Brc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 2230a_100011212009_100000211543 [0,1,0,0,0,0|3,0,0]=4 158 B24R3.21177 Brc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100011267660 [0,1,0,0,0,0|3,0,0]=4 159 B24R3.21177 Brc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 34a_100011212009_100000211543 [0,1,0,0,0,0|3,0,0]=4 160 B24R3.21177 Brc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 2230a_100011212009_100000741521 [0,1,0,0,0,0|3,0,0]=4 161 B24R3.21177 Brc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100011267660 [0,1,0,0,0,0|3,0,0]=4 162 B24R3.21177 Brc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 34a_100011212009_100000741521 [0,1,0,0,0,0|3,0,0]=4 163 B24R3.21177 Brc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 2230a_100011212009_100000754603 [0,1,0,0,0,0|3,0,0]=4 164 B24R3.21177 Brc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 269862a_100011212009_100000749017 [0,1,0,0,0,0|3,0,0]=4 165 B24R3.21177 Brc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100011267660 [0,1,0,0,0,0|3,0,0]=4 166 B24R3.21177 Brc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 34a_100011212009_100000754603 [0,1,0,0,0,0|3,0,0]=4 167 B24R3.21177 Cc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100011217825 [0,1,0,0,0,0|3,0,0]=4 168 B24R3.21177 Cc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100011217825 [0,1,0,0,0,0|3,0,0]=4 169 B24R3.21177 Cc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100011217825 [0,1,0,0,0,0|3,0,0]=4 170 B24R3.21177 Cc1cccc(c1)C(NCC2CCSCC2)c3ccccc3 270004a_100015188806_100011217825 [0,1,0,0,0,0|3,0,0]=4 171 B24R3.21177 Clc1cccc(c1)C(NCC2CCCCC2)c3ccccn3 270004a_100000210473_100000688346 [0,1,0,0,0,0|3,0,0]=4 172 B24R3.21177 Clc1cccc(c1)C(NCC2CCCCC2)c3cccnc3 270004a_100000210473_100000752423 [0,1,0,0,0,0|3,0,0]=4 173 B24R3.21177 Clc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 2230a_100000741085_100000211543 [0,1,0,0,0,0|3,0,0]=4 174 B24R3.21177 Clc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100011215489 [0,1,0,0,0,0|3,0,0]=4 175 B24R3.21177 Clc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 34a_100000741085_100000211543 [0,1,0,0,0,0|3,0,0]=4 176 B24R3.21177 Clc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 2230a_100000741085_100000741521 [0,1,0,0,0,0|3,0,0]=4 177 B24R3.21177 Clc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100011215489 [0,1,0,0,0,0|3,0,0]=4 178 B24R3.21177 Clc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 34a_100000741085_100000741521 [0,1,0,0,0,0|3,0,0]=4 179 B24R3.21177 Clc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 2230a_100000741085_100000754603 [0,1,0,0,0,0|3,0,0]=4 180 B24R3.21177 Clc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 269862a_100000741085_100000749017 [0,1,0,0,0,0|3,0,0]=4 181 B24R3.21177 Clc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100011215489 [0,1,0,0,0,0|3,0,0]=4 182 B24R3.21177 Clc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 34a_100000741085_100000754603 [0,1,0,0,0,0|3,0,0]=4 183 B24R3.21177 Clc1cccc(c1)C(OCC2CCCOC2)c3ccccc3 34a_100000733576_100000741521 [0,1,0,0,0,0|3,0,0]=4 184 B24R3.21177 Clc1cccc(c1)C(OCC2CCCOC2)c3ccccc3 7a_100000733576_100000741521 [0,1,0,0,0,0|3,0,0]=4 185 B24R3.21177 Clc1cccc(c1)C(OCC2CCOCC2)c3ccccc3 34a_100000733576_100000754603 [0,1,0,0,0,0|3,0,0]=4 186 B24R3.21177 Clc1cccc(c1)C(OCC2CCOCC2)c3ccccc3 7a_100000733576_100000754603 [0,1,0,0,0,0|3,0,0]=4 187 B24R3.21177 Fc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 2230a_100000686443_100000211543 [0,1,0,0,0,0|3,0,0]=4 188 B24R3.21177 Fc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_200011219850 [0,1,0,0,0,0|3,0,0]=4 189 B24R3.21177 Fc1cccc(c1)C(NCC2CCCCO2)c3ccccc3 34a_100000686443_100000211543 [0,1,0,0,0,0|3,0,0]=4 190 B24R3.21177 Fc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 2230a_100000686443_100000741521 [0,1,0,0,0,0|3,0,0]=4 191 B24R3.21177 Fc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_200011219850 [0,1,0,0,0,0|3,0,0]=4 192 B24R3.21177 Fc1cccc(c1)C(NCC2CCCOC2)c3ccccc3 34a_100000686443_100000741521 [0,1,0,0,0,0|3,0,0]=4 193 B24R3.21177 Fc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 2230a_100000686443_100000754603 [0,1,0,0,0,0|3,0,0]=4 194 B24R3.21177 Fc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 269862a_100000686443_100000749017 [0,1,0,0,0,0|3,0,0]=4 195 B24R3.21177 Fc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_200011219850 [0,1,0,0,0,0|3,0,0]=4 196 B24R3.21177 Fc1cccc(c1)C(NCC2CCOCC2)c3ccccc3 34a_100000686443_100000754603 [0,1,0,0,0,0|3,0,0]=4 197 B24R3.21177 Fc1cccc(c1)C(NCC2CCSCC2)c3ccccc3 269862a_100000686443_100000067145 [0,1,0,0,0,0|3,0,0]=4 198 B24R3.21177 Fc1cccc(c1)C(NCC2CCSCC2)c3ccccc3 270004a_100000686443_100000067145 [0,1,0,0,0,0|3,0,0]=4 199 B24R3.21177 Fc1cccc(c1)C(NCC2CCSCC2)c3ccccc3 270004a_100015188806_200011219850 [0,1,0,0,0,0|3,0,0]=4 200 B24R3.21177 Fc1cccc(c1)C(OCC2CCCCO2)c3ccccc3 34a_100000749007_100000211543 [0,1,0,0,0,0|3,0,0]=4 201 B24R3.21177 Fc1cccc(c1)C(OCC2CCCCO2)c3ccccc3 7a_100000749007_100000211543 [0,1,0,0,0,0|3,0,0]=4 202 B24R3.21177 Fc1cccc(c1)C(OCC2CCCOC2)c3ccccc3 34a_100000749007_100000741521 [0,1,0,0,0,0|3,0,0]=4 203 B24R3.21177 Fc1cccc(c1)C(OCC2CCCOC2)c3ccccc3 7a_100000749007_100000741521 [0,1,0,0,0,0|3,0,0]=4 204 B24R3.21177 Fc1cccc(c1)C(OCC2CCOCC2)c3ccccc3 34a_100000749007_100000754603 [0,1,0,0,0,0|3,0,0]=4 205 B24R3.21177 Fc1cccc(c1)C(OCC2CCOCC2)c3ccccc3 7a_100000749007_100000754603 [0,1,0,0,0,0|3,0,0]=4 206 B24R3.21837 Brc1ccccc1C(NCC2CCCCO2)c3ccccc3 2230a_100011211563_100000211543 [0,1,0,0,0,0|3,0,0]=4 207 B24R3.21837 Brc1ccccc1C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100000198044 [0,1,0,0,0,0|3,0,0]=4 208 B24R3.21837 Brc1ccccc1C(NCC2CCCCO2)c3ccccc3 34a_100011211563_100000211543 [0,1,0,0,0,0|3,0,0]=4 209 B24R3.21837 Brc1ccccc1C(NCC2CCCOC2)c3ccccc3 2230a_100011211563_100000741521 [0,1,0,0,0,0|3,0,0]=4 210 B24R3.21837 Brc1ccccc1C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100000198044 [0,1,0,0,0,0|3,0,0]=4 211 B24R3.21837 Brc1ccccc1C(NCC2CCCOC2)c3ccccc3 34a_100011211563_100000741521 [0,1,0,0,0,0|3,0,0]=4 212 B24R3.21837 Brc1ccccc1C(NCC2CCOCC2)c3ccccc3 2230a_100011211563_100000754603 [0,1,0,0,0,0|3,0,0]=4 213 B24R3.21837 Brc1ccccc1C(NCC2CCOCC2)c3ccccc3 269862a_100011211563_100000749017 [0,1,0,0,0,0|3,0,0]=4 214 B24R3.21837 Brc1ccccc1C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100000198044 [0,1,0,0,0,0|3,0,0]=4 215 B24R3.21837 Brc1ccccc1C(NCC2CCOCC2)c3ccccc3 34a_100011211563_100000754603 [0,1,0,0,0,0|3,0,0]=4 216 B24R3.21837 Cc1ccccc1C(NCC2CCCCC2)c3ccncc3 2230a_100015184055_100000211423 [0,1,0,0,0,0|3,0,0]=4 217 B24R3.21837 Cc1ccccc1C(NCC2CCCCC2)c3ccncc3 269862a_100015184055_100000211278 [0,1,0,0,0,0|3,0,0]=4 218 B24R3.21837 Cc1ccccc1C(NCC2CCCCO2)c3ccccc3 2230a_100000174945_100000230135 [0,1,0,0,0,0|3,0,0]=4 219 B24R3.21837 Cc1ccccc1C(NCC2CCCCO2)c3ccccc3 2230a_100000222801_100000211543 [0,1,0,0,0,0|3,0,0]=4 220 B24R3.21837 Cc1ccccc1C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100000735561 [0,1,0,0,0,0|3,0,0]=4 221 B24R3.21837 Cc1ccccc1C(NCC2CCCCO2)c3ccccc3 34a_100000222801_100000211543 [0,1,0,0,0,0|3,0,0]=4 222 B24R3.21837 Cc1ccccc1C(NCC2CCCOC2)c3ccccc3 2230a_100000222801_100000741521 [0,1,0,0,0,0|3,0,0]=4 223 B24R3.21837 Cc1ccccc1C(NCC2CCCOC2)c3ccccc3 2230a_100000720124_100000230135 [0,1,0,0,0,0|3,0,0]=4 224 B24R3.21837 Cc1ccccc1C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100000735561 [0,1,0,0,0,0|3,0,0]=4 225 B24R3.21837 Cc1ccccc1C(NCC2CCCOC2)c3ccccc3 34a_100000222801_100000741521 [0,1,0,0,0,0|3,0,0]=4 226 B24R3.21837 Cc1ccccc1C(NCC2CCOCC2)c3ccccc3 2230a_100000222801_100000754603 [0,1,0,0,0,0|3,0,0]=4 227 B24R3.21837 Cc1ccccc1C(NCC2CCOCC2)c3ccccc3 2230a_100000746373_100000230135 [0,1,0,0,0,0|3,0,0]=4 228 B24R3.21837 Cc1ccccc1C(NCC2CCOCC2)c3ccccc3 269862a_100000222801_100000749017 [0,1,0,0,0,0|3,0,0]=4 229 B24R3.21837 Cc1ccccc1C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100000735561 [0,1,0,0,0,0|3,0,0]=4 230 B24R3.21837 Cc1ccccc1C(NCC2CCOCC2)c3ccccc3 34a_100000222801_100000754603 [0,1,0,0,0,0|3,0,0]=4 231 B24R3.21837 Cc1ccccc1C(NCC2CCSCC2)c3ccccc3 2230a_100015188806_100000230135 [0,1,0,0,0,0|3,0,0]=4 232 B24R3.21837 Cc1ccccc1C(NCC2CCSCC2)c3ccccc3 269862a_100000222801_100000067145 [0,1,0,0,0,0|3,0,0]=4 233 B24R3.21837 Cc1ccccc1C(NCC2CCSCC2)c3ccccc3 270004a_100000222801_100000067145 [0,1,0,0,0,0|3,0,0]=4 234 B24R3.21837 Cc1ccccc1C(NCC2CCSCC2)c3ccccc3 270004a_100015188806_100000735561 [0,1,0,0,0,0|3,0,0]=4 235 B24R3.21837 Cc1ccccc1C(OCC2CCCCO2)c3ccccc3 34a_100000212071_100000211543 [0,1,0,0,0,0|3,0,0]=4 236 B24R3.21837 Cc1ccccc1C(OCC2CCCCO2)c3ccccc3 7a_100000211370_100000230135 [0,1,0,0,0,0|3,0,0]=4 237 B24R3.21837 Cc1ccccc1C(OCC2CCCCO2)c3ccccc3 7a_100000212071_100000211543 [0,1,0,0,0,0|3,0,0]=4 238 B24R3.21837 Cc1ccccc1C(OCC2CCCOC2)c3ccccc3 34a_100000212071_100000741521 [0,1,0,0,0,0|3,0,0]=4 239 B24R3.21837 Cc1ccccc1C(OCC2CCCOC2)c3ccccc3 7a_100000212071_100000741521 [0,1,0,0,0,0|3,0,0]=4 240 B24R3.21837 Cc1ccccc1C(OCC2CCOCC2)c3ccccc3 34a_100000212071_100000754603 [0,1,0,0,0,0|3,0,0]=4 241 B24R3.21837 Cc1ccccc1C(OCC2CCOCC2)c3ccccc3 7a_100000212071_100000754603 [0,1,0,0,0,0|3,0,0]=4 242 B24R3.21837 Clc1ccccc1C(NCC2CCCCC2)c3ccccn3 270004a_100000210473_100011400554 [0,1,0,0,0,0|3,0,0]=4 243 B24R3.21837 Clc1ccccc1C(NCC2CCCCC2)c3cccnc3 270004a_100000210473_200011400555 [0,1,0,0,0,0|3,0,0]=4 244 B24R3.21837 Clc1ccccc1C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100011215288 [0,1,0,0,0,0|3,0,0]=4 245 B24R3.21837 Clc1ccccc1C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100011215288 [0,1,0,0,0,0|3,0,0]=4 246 B24R3.21837 Clc1ccccc1C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100011215288 [0,1,0,0,0,0|3,0,0]=4 247 B24R3.21837 Clc1ccccc1C(OCC2CCCOC2)c3ccccc3 34a_200011400577_100000741521 [0,1,0,0,0,0|3,0,0]=4 248 B24R3.21837 Clc1ccccc1C(OCC2CCCOC2)c3ccccc3 7a_200011400577_100000741521 [0,1,0,0,0,0|3,0,0]=4 249 B24R3.21837 Clc1ccccc1C(OCC2CCOCC2)c3ccccc3 34a_200011400577_100000754603 [0,1,0,0,0,0|3,0,0]=4 250 B24R3.21837 Clc1ccccc1C(OCC2CCOCC2)c3ccccc3 7a_200011400577_100000754603 [0,1,0,0,0,0|3,0,0]=4 251 B24R3.21837 Fc1ccccc1C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100011217773 [0,1,0,0,0,0|3,0,0]=4 252 B24R3.21837 Fc1ccccc1C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100011217773 [0,1,0,0,0,0|3,0,0]=4 253 B24R3.21837 Fc1ccccc1C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100011217773 [0,1,0,0,0,0|3,0,0]=4 254 B24R3.21837 Fc1ccccc1C(NCC2CCSCC2)c3ccccc3 270004a_100015188806_100011217773 [0,1,0,0,0,0|3,0,0]=4 255 B24R3.21837 Nc1ccccc1C(OCC2CCCCC2)c3ccccc3 34a_100000246470_100000211423 [0,1,0,0,0,0|2,0,0]=3 256 B24R3.21837 Nc1ccccc1C(OCC2CCCCC2)c3ccccc3 7a_100000246470_100000211423 [0,1,0,0,0,0|2,0,0]=3 257 B24R3.21837 Nc1ccccc1C(OCC2CCCCO2)c3ccccc3 34a_100000246470_100000211543 [0,1,0,0,0,0|3,0,0]=4 258 B24R3.21837 Nc1ccccc1C(OCC2CCCCO2)c3ccccc3 7a_100000246470_100000211543 [0,1,0,0,0,0|3,0,0]=4 259 B24R3.21837 Nc1ccccc1C(OCC2CCCOC2)c3ccccc3 34a_100000246470_100000741521 [0,1,0,0,0,0|3,0,0]=4 260 B24R3.21837 Nc1ccccc1C(OCC2CCCOC2)c3ccccc3 7a_100000246470_100000741521 [0,1,0,0,0,0|3,0,0]=4 261 B24R3.21837 Nc1ccccc1C(OCC2CCOCC2)c3ccccc3 34a_100000246470_100000754603 [0,1,0,0,0,0|3,0,0]=4 262 B24R3.21837 Nc1ccccc1C(OCC2CCOCC2)c3ccccc3 7a_100000246470_100000754603 [0,1,0,0,0,0|3,0,0]=4 263 B24R3.35684 CC1CCCCC1NCC(c2ccccc2)c3ccccc3 269862a_100000739227_100000210921 [0,1,0,0,0,0|2,0,0]=3 264 B24R3.35684 CC1CCCCC1NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000210921 [0,1,0,0,0,0|2,0,0]=3 265 B24R3.35684 CC1CCCCN1CC=C(c2ccccc2)c3ccccc3 270004a_100000211376_100000050448 [0,1,0,0,0,0|0,0,2]=3 266 B24R3.35684 CC1CCCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_100000211376_100010140906 [0,1,0,0,0,0|1,0,0]=2 267 B24R3.35684 CC1CCCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_100000211376_100010140906 [0,1,0,0,0,0|1,0,0]=2 268 B24R3.35684 CC1CNCCC1NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000703950 [0,1,0,0,0,0|3,0,0]=4 269 B24R3.35684 CC1COCCC1NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000755695 [0,1,0,0,0,0|3,0,0]=4 270 B24R3.35684 CN1CCCCC1CNC(c2ccccc2)c3ccccc3 270004a_100011228421_100000210122 [0,1,0,0,0,0|3,0,0]=4 271 B24R3.35684 CN1CCCCC1CNC(c2ccccc2)c3ccccc3 34a_100000162943_100015186950 [0,1,0,0,0,0|3,0,0]=4 272 B24R3.35684 CN1CCCCC1COC(c2ccccc2)c3ccccc3 34a_100000211180_100015186950 [0,1,0,0,0,0|3,0,0]=4 273 B24R3.35684 CN1CCCCC1COC(c2ccccc2)c3ccccc3 7a_100000211180_100015185383 [0,1,0,0,0,0|3,0,0]=4 274 B24R3.35684 CN1CCCCC1CSC(c2ccccc2)c3ccccc3 62a_100000211591_100015185383 [0,1,0,0,0,0|3,0,0]=4 275 B24R3.35684 CN1CCCCC1CSC(c2ccccc2)c3ccccc3 62a_100015185383_100011216954 [0,1,0,0,0,0|3,0,0]=4 276 B24R3.35684 C[C@H]1COCCN1CC=C(c2ccccc2)c3ccccc3 270004a_100009815349_100000050448 [0,1,0,0,0,0|1,0,2]=4 277 B24R3.35684 C[C@H]1COCCN1CCC(c2ccccc2)c3ccccc3 2230a_100009815349_100009813428 [0,1,0,0,0,0|1,0,0]=2 278 B24R3.35684 C[C@H]1COCCN1CCC(c2ccccc2)c3ccccc3 269982a_100009815349_100009813428 [0,1,0,0,0,0|1,0,0]=2 279 B24R3.35684 C[C@H]1COCCN1CCC(c2ccccc2)c3ccccc3 34a_100009815349_100009813428 [0,1,0,0,0,0|1,0,0]=2 280 B24R3.35684 C[C@H]1COCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_100009815349_100010140906 [0,1,0,0,0,0|2,0,0]=3 281 B24R3.35684 C[C@H]1COCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_100009815349_100010140906 [0,1,0,0,0,0|2,0,0]=3 282 B24R3.35684 FC1CCCCC1NCC(c2ccccc2)c3ccccc3 34a_100000739227_100015423560 [0,1,0,0,0,0|2,0,0]=3 283 B24R3.35684 O=C1CCCCC1COC(c2ccccc2)c3ccccc3 7a_100009861125_100011216954 [0,1,0,0,0,0|2,0,1]=4 284 B24R3.35684 O=C1CCCCC1NCC(c2ccccc2)c3ccccc3 34a_100000739227_100000754470 [0,1,0,0,0,0|2,0,1]=4 285 B24R3.35684 O=C1CCCCC1OCC(c2ccccc2)c3ccccc3 34a_100011215272_100000754470 [0,1,0,0,0,0|2,0,1]=4 286 B24R3.35684 O=C1CCCCC1OCC(c2ccccc2)c3ccccc3 7a_100011215272_100000204591 [0,1,0,0,0,0|2,0,1]=4 287 B24R3.35684 OC1CCCCC1CNC(c2ccccc2)c3ccccc3 270004a_100011216029_100000210122 [0,1,0,0,0,0|2,0,0]=3 288 B24R3.35684 OC1CCCCC1CNC(c2ccccc2)c3ccccn3 270004a_100011216029_100000210380 [0,1,0,0,0,0|3,0,0]=4 289 B24R3.35684 OC1CCCCC1CNC(c2ccccc2)c3cccnc3 270004a_100011216029_100000735413 [0,1,0,0,0,0|3,0,0]=4 290 B24R3.35684 OC1CCCCC1NCC(c2ccccc2)c3ccccc3 34a_100000739227_100000038908 [0,1,0,0,0,0|2,0,0]=3 291 B24R3.35684 OC1CCCCC1OCC(c2ccccc2)c3ccccc3 34a_100011215272_100000038908 [0,1,0,0,0,0|2,0,0]=3 292 B24R3.67298 CN(CC1CCCCC1)C(c2ccccc2)c3ccccn3 270004a_100000736448_100000210380 [0,1,0,0,0,0|3,0,0]=4 293 B24R3.67298 CN(CC1CCCCC1)C(c2ccccc2)c3cccnc3 270004a_100000736448_100000735413 [0,1,0,0,0,0|3,0,0]=4 294 B24R3.67298 CN(CC1CCCCO1)C(c2ccccc2)c3ccccc3 2230a_100000225654_100000211591 [0,1,0,0,0,0|3,0,0]=4 295 B24R3.67298 CN(CC1CCCCO1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100000211543 [0,1,0,0,0,0|3,0,0]=4 296 B24R3.67298 CN(CC1CCCCO1)C(c2ccccc2)c3ccccc3 269982a_100000225654_100000211591 [0,1,0,0,0,0|3,0,0]=4 297 B24R3.67298 CN(CC1CCCCO1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000211543 [0,1,0,0,0,0|3,0,0]=4 298 B24R3.67298 CN(CC1CCCCO1)C(c2ccccc2)c3ccccc3 270004a_100000225654_100000210122 [0,1,0,0,0,0|3,0,0]=4 299 B24R3.67298 CN(CC1CCCOC1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100000741521 [0,1,0,0,0,0|3,0,0]=4 300 B24R3.67298 CN(CC1CCCOC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000741521 [0,1,0,0,0,0|3,0,0]=4 301 B24R3.67298 CN(CC1CCOCC1)C(c2ccccc2)c3ccccc3 2230a_100025706683_100000211591 [0,1,0,0,0,0|3,0,0]=4 302 B24R3.67298 CN(CC1CCOCC1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100000754603 [0,1,0,0,0,0|3,0,0]=4 303 B24R3.67298 CN(CC1CCOCC1)C(c2ccccc2)c3ccccc3 269982a_100025706683_100000211591 [0,1,0,0,0,0|3,0,0]=4 304 B24R3.67298 CN(CC1CCOCC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000754603 [0,1,0,0,0,0|3,0,0]=4 305 B24R3.67298 CN(CC1CCOCC1)C(c2ccccc2)c3ccccc3 270004a_100025706683_100000210122 [0,1,0,0,0,0|3,0,0]=4 306 B24R3.67298 CN(CC1CCSCC1)C(c2ccccc2)c3ccccc3 2230a_100011935259_100000211591 [0,1,0,0,0,0|3,0,0]=4 307 B24R3.67298 CN(CC1CCSCC1)C(c2ccccc2)c3ccccc3 269982a_100011935259_100000211591 [0,1,0,0,0,0|3,0,0]=4 308 B24R3.67298 CN(CC1CCSCC1)C(c2ccccc2)c3ccccc3 270004a_100011935259_100000210122 [0,1,0,0,0,0|3,0,0]=4 309 B24R3.67298 CN(CC1CCSCC1)C(c2ccccc2)c3ccccc3 270004a_100103148541_100000067145 [0,1,0,0,0,0|3,0,0]=4 310 B24R3.67298 O=C(CC1CCCCO1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000211543 [0,1,0,0,0,0|2,0,1]=4 311 B24R3.67298 O=C(CC1CCCCO1)C(c2ccccc2)c3ccccc3 1458a_100000238585_100011216954 [0,1,0,0,0,0|2,0,1]=4 312 B24R3.67298 O=C(CC1CCCOC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000741521 [0,1,0,0,0,0|2,0,1]=4 313 B24R3.67298 O=C(CC1CCCOC1)C(c2ccccc2)c3ccccc3 1458a_100000741523_100011216954 [0,1,0,0,0,0|2,0,1]=4 314 B24R3.67298 O=C(CC1CCOCC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000754603 [0,1,0,0,0,0|2,0,1]=4 315 B24R3.67298 O=C(CC1CCOCC1)C(c2ccccc2)c3ccccc3 1458a_100000757261_100011216954 [0,1,0,0,0,0|2,0,1]=4 316 B24R3.67298 O=C(CN1CCCCC1)C(c2ccccc2)c3ccccc3 1458a_100000740322_100011216954 [0,1,0,0,0,0|0,0,1]=2 317 B24R3.67298 O=C(CN1CCCOC1)N(c2ccccc2)c3ccccc3 2230a_100000131196_200015198546 [0,1,0,0,0,0|2,0,1]=4 318 B24R3.67298 O=C(CN1CCCOC1)N(c2ccccc2)c3ccccc3 269982a_100000131196_200015198546 [0,1,0,0,0,0|2,0,1]=4 319 B24R3.67298 O=C(CN1CCOCC1)C(c2ccccc2)c3ccccc3 1458a_100000740321_100011216954 [0,1,0,0,0,0|1,0,1]=3 320 B24R3.67298 O=C(CN1CCOCC1)N(c2ccccc2)c3ccccc3 2230a_100015191051_200015198546 [0,1,0,0,0,0|2,0,1]=4 321 B24R3.67298 O=C(CN1CCOCC1)N(c2ccccc2)c3ccccc3 269982a_100015191051_200015198546 [0,1,0,0,0,0|2,0,1]=4 322 B24R3.67298 O=C(CN1CCSCC1)N(c2ccccc2)c3ccccc3 2230a_100000737611_200015198546 [0,1,0,0,0,0|2,0,1]=4 323 B24R3.67298 O=C(CN1CCSCC1)N(c2ccccc2)c3ccccc3 269982a_100000737611_200015198546 [0,1,0,0,0,0|2,0,1]=4 324 B24R3.67298 O=C(NC1CCCCC1)C(c2ccccc2)c3ccccc3 11a_100000182618_100000210944 [0,1,0,0,0,0|2,0,1]=4 325 B24R3.67298 O=C(NC1CCCCC1)C(c2ccccc2)c3ccccc3 1626a_100000182618_100000210944 [0,1,0,0,0,0|2,0,1]=4 326 B24R3.67298 O=C(NC1CCCCC1)C(c2ccccc2)c3ccccc3 240690a_100000182618_100000210944 [0,1,0,0,0,0|2,0,1]=4 327 B24R3.67298 O=C(NC1CCCCC1)C(c2ccccc2)c3ccccc3 527a_100000182618_100000210944 [0,1,0,0,0,0|2,0,1]=4 328 B24R3.89641 Brc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 2230a_100000745999_100000211543 [0,1,0,0,0,0|3,0,0]=4 329 B24R3.89641 Brc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100000718703 [0,1,0,0,0,0|3,0,0]=4 330 B24R3.89641 Brc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 34a_100000745999_100000211543 [0,1,0,0,0,0|3,0,0]=4 331 B24R3.89641 Brc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 2230a_100000745999_100000741521 [0,1,0,0,0,0|3,0,0]=4 332 B24R3.89641 Brc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100000718703 [0,1,0,0,0,0|3,0,0]=4 333 B24R3.89641 Brc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 34a_100000745999_100000741521 [0,1,0,0,0,0|3,0,0]=4 334 B24R3.89641 Brc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 2230a_100000745999_100000754603 [0,1,0,0,0,0|3,0,0]=4 335 B24R3.89641 Brc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 269862a_100000745999_100000749017 [0,1,0,0,0,0|3,0,0]=4 336 B24R3.89641 Brc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100000718703 [0,1,0,0,0,0|3,0,0]=4 337 B24R3.89641 Brc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 34a_100000745999_100000754603 [0,1,0,0,0,0|3,0,0]=4 338 B24R3.89641 Brc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 34a_100011217567_100000741521 [0,1,0,0,0,0|3,0,0]=4 339 B24R3.89641 Brc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 7a_100011217567_100000741521 [0,1,0,0,0,0|3,0,0]=4 340 B24R3.89641 Brc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 34a_100011217567_100000754603 [0,1,0,0,0,0|3,0,0]=4 341 B24R3.89641 Brc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 7a_100011217567_100000754603 [0,1,0,0,0,0|3,0,0]=4 342 B24R3.89641 Cc1ccc(cc1)C(NCC2CCCCC2)c3ccncc3 269862a_200015185284_100000211278 [0,1,0,0,0,0|3,0,0]=4 343 B24R3.89641 Cc1ccc(cc1)C(NCC2CCCCC2)c3ccncc3 34a_200015185284_100000211423 [0,1,0,0,0,0|3,0,0]=4 344 B24R3.89641 Cc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 2230a_100000736602_100000211543 [0,1,0,0,0,0|3,0,0]=4 345 B24R3.89641 Cc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100000210966 [0,1,0,0,0,0|3,0,0]=4 346 B24R3.89641 Cc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 34a_100000736602_100000211543 [0,1,0,0,0,0|3,0,0]=4 347 B24R3.89641 Cc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 2230a_100000736602_100000741521 [0,1,0,0,0,0|3,0,0]=4 348 B24R3.89641 Cc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100000210966 [0,1,0,0,0,0|3,0,0]=4 349 B24R3.89641 Cc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 34a_100000736602_100000741521 [0,1,0,0,0,0|3,0,0]=4 350 B24R3.89641 Cc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 2230a_100000736602_100000754603 [0,1,0,0,0,0|3,0,0]=4 351 B24R3.89641 Cc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 269862a_100000736602_100000749017 [0,1,0,0,0,0|3,0,0]=4 352 B24R3.89641 Cc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100000210966 [0,1,0,0,0,0|3,0,0]=4 353 B24R3.89641 Cc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 34a_100000736602_100000754603 [0,1,0,0,0,0|3,0,0]=4 354 B24R3.89641 Cc1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 269862a_100000736602_100000067145 [0,1,0,0,0,0|3,0,0]=4 355 B24R3.89641 Cc1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 270004a_100000736602_100000067145 [0,1,0,0,0,0|3,0,0]=4 356 B24R3.89641 Cc1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 270004a_100015188806_100000210966 [0,1,0,0,0,0|3,0,0]=4 357 B24R3.89641 Cc1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 34a_100000212064_100000211543 [0,1,0,0,0,0|3,0,0]=4 358 B24R3.89641 Cc1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 7a_100000212064_100000211543 [0,1,0,0,0,0|3,0,0]=4 359 B24R3.89641 Cc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 34a_100000212064_100000741521 [0,1,0,0,0,0|3,0,0]=4 360 B24R3.89641 Cc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 7a_100000212064_100000741521 [0,1,0,0,0,0|3,0,0]=4 361 B24R3.89641 Cc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 34a_100000212064_100000754603 [0,1,0,0,0,0|3,0,0]=4 362 B24R3.89641 Cc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 7a_100000212064_100000754603 [0,1,0,0,0,0|3,0,0]=4 363 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCCC2)c3ccccn3 2230a_100000210473_200010188304 [0,1,0,0,0,0|3,0,0]=4 364 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCCC2)c3ccccn3 270004a_100000210473_100000753647 [0,1,0,0,0,0|3,0,0]=4 365 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCCC2)c3cccnc3 270004a_100000210473_100000753233 [0,1,0,0,0,0|3,0,0]=4 366 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 2230a_100000174945_100000211669 [0,1,0,0,0,0|3,0,0]=4 367 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 2230a_100000737946_100000211543 [0,1,0,0,0,0|3,0,0]=4 368 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100000211064 [0,1,0,0,0,0|3,0,0]=4 369 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 34a_100000737946_100000211543 [0,1,0,0,0,0|3,0,0]=4 370 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 2230a_100000720124_100000211669 [0,1,0,0,0,0|3,0,0]=4 371 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 2230a_100000737946_100000741521 [0,1,0,0,0,0|3,0,0]=4 372 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100000211064 [0,1,0,0,0,0|3,0,0]=4 373 B24R3.89641 Clc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 34a_100000737946_100000741521 [0,1,0,0,0,0|3,0,0]=4 374 B24R3.89641 Clc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 2230a_100000737946_100000754603 [0,1,0,0,0,0|3,0,0]=4 375 B24R3.89641 Clc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 2230a_100000746373_100000211669 [0,1,0,0,0,0|3,0,0]=4 376 B24R3.89641 Clc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 269862a_100000737946_100000749017 [0,1,0,0,0,0|3,0,0]=4 377 B24R3.89641 Clc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100000211064 [0,1,0,0,0,0|3,0,0]=4 378 B24R3.89641 Clc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 34a_100000737946_100000754603 [0,1,0,0,0,0|3,0,0]=4 379 B24R3.89641 Clc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 34a_100000211768_100000741521 [0,1,0,0,0,0|3,0,0]=4 380 B24R3.89641 Clc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 7a_100000211768_100000741521 [0,1,0,0,0,0|3,0,0]=4 381 B24R3.89641 Clc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 34a_100000211768_100000754603 [0,1,0,0,0,0|3,0,0]=4 382 B24R3.89641 Clc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 7a_100000211768_100000754603 [0,1,0,0,0,0|3,0,0]=4 383 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCCC2)c3ccncc3 2230a_100000751741_100000211423 [0,1,0,0,0,0|3,0,0]=4 384 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCCC2)c3ccncc3 269862a_100000751741_100000211278 [0,1,0,0,0,0|3,0,0]=4 385 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCCC2)c3ccncc3 34a_100000751741_100000211423 [0,1,0,0,0,0|3,0,0]=4 386 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 2230a_100000737529_100000211543 [0,1,0,0,0,0|3,0,0]=4 387 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 270004a_100000174945_100000210425 [0,1,0,0,0,0|3,0,0]=4 388 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 34a_100000737529_100000211543 [0,1,0,0,0,0|3,0,0]=4 389 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 2230a_100000737529_100000741521 [0,1,0,0,0,0|3,0,0]=4 390 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 270004a_100000720124_100000210425 [0,1,0,0,0,0|3,0,0]=4 391 B24R3.89641 Fc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 34a_100000737529_100000741521 [0,1,0,0,0,0|3,0,0]=4 392 B24R3.89641 Fc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 2230a_100000737529_100000754603 [0,1,0,0,0,0|3,0,0]=4 393 B24R3.89641 Fc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 269862a_100000737529_100000749017 [0,1,0,0,0,0|3,0,0]=4 394 B24R3.89641 Fc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 270004a_100000746373_100000210425 [0,1,0,0,0,0|3,0,0]=4 395 B24R3.89641 Fc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 34a_100000737529_100000754603 [0,1,0,0,0,0|3,0,0]=4 396 B24R3.89641 Fc1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 269862a_100000737529_100000067145 [0,1,0,0,0,0|3,0,0]=4 397 B24R3.89641 Fc1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 270004a_100000737529_100000067145 [0,1,0,0,0,0|3,0,0]=4 398 B24R3.89641 Fc1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 270004a_100015188806_100000210425 [0,1,0,0,0,0|3,0,0]=4 399 B24R3.89641 Fc1ccc(cc1)C(OCC2CCCCC2)c3ccncc3 34a_100000748166_100000211423 [0,1,0,0,0,0|3,0,0]=4 400 B24R3.89641 Fc1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 34a_200000246460_100000211543 [0,1,0,0,0,0|3,0,0]=4 401 B24R3.89641 Fc1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 7a_200000246460_100000211543 [0,1,0,0,0,0|3,0,0]=4 402 B24R3.89641 Fc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 34a_200000246460_100000741521 [0,1,0,0,0,0|3,0,0]=4 403 B24R3.89641 Fc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 7a_200000246460_100000741521 [0,1,0,0,0,0|3,0,0]=4 404 B24R3.89641 Fc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 34a_200000246460_100000754603 [0,1,0,0,0,0|3,0,0]=4 405 B24R3.89641 Fc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 7a_200000246460_100000754603 [0,1,0,0,0,0|3,0,0]=4 406 B24R3.89641 Nc1ccc(cc1)C(OCC2CCCCC2)c3ccccc3 34a_100011236343_100000211423 [0,1,0,0,0,0|2,0,0]=3 407 B24R3.89641 Nc1ccc(cc1)C(OCC2CCCCC2)c3ccccc3 7a_100011236343_100000211423 [0,1,0,0,0,0|2,0,0]=3 408 B24R3.89641 Nc1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 34a_100011236343_100000211543 [0,1,0,0,0,0|3,0,0]=4 409 B24R3.89641 Nc1ccc(cc1)C(OCC2CCCCO2)c3ccccc3 7a_100011236343_100000211543 [0,1,0,0,0,0|3,0,0]=4 410 B24R3.89641 Nc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 34a_100011236343_100000741521 [0,1,0,0,0,0|3,0,0]=4 411 B24R3.89641 Nc1ccc(cc1)C(OCC2CCCOC2)c3ccccc3 7a_100011236343_100000741521 [0,1,0,0,0,0|3,0,0]=4 412 B24R3.89641 Nc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 34a_100011236343_100000754603 [0,1,0,0,0,0|3,0,0]=4 413 B24R3.89641 Nc1ccc(cc1)C(OCC2CCOCC2)c3ccccc3 7a_100011236343_100000754603 [0,1,0,0,0,0|3,0,0]=4 414 B24R3.89641 Oc1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 34a_100000198503_100000211423 [0,1,0,0,0,0|2,0,0]=3 415 B24R3.89641 Oc1ccc(cc1)C(NCC2CCCCO2)c3ccccc3 34a_100000198503_100000211543 [0,1,0,0,0,0|3,0,0]=4 416 B24R3.89641 Oc1ccc(cc1)C(NCC2CCCOC2)c3ccccc3 34a_100000198503_100000741521 [0,1,0,0,0,0|3,0,0]=4 417 B24R3.89641 Oc1ccc(cc1)C(NCC2CCOCC2)c3ccccc3 34a_100000198503_100000754603 [0,1,0,0,0,0|3,0,0]=4 418 B24R3.89641 Oc1ccc(cc1)C(NCC2CCSCC2)c3ccccc3 270004a_100000198503_100000067145 [0,1,0,0,0,0|3,0,0]=4 419 B24R3.89720 C=C1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100010272673 [0,1,0,0,0,0|2,0,1]=4 420 B24R3.89720 C=C1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000752442_100000050448 [0,1,0,0,0,0|0,0,3]=4 421 B24R3.89720 C=C1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000752442_100009813428 [0,1,0,0,0,0|0,0,1]=2 422 B24R3.89720 C=C1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000752442_100009813428 [0,1,0,0,0,0|0,0,1]=2 423 B24R3.89720 C=C1CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100000752442_100009813428 [0,1,0,0,0,0|0,0,1]=2 424 B24R3.89720 C=C1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000752442_100010140906 [0,1,0,0,0,0|1,0,1]=3 425 B24R3.89720 C=C1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000752442_100010140906 [0,1,0,0,0,0|1,0,1]=3 426 B24R3.89720 CC1=CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000693516_100009813428 [0,1,0,0,0,0|0,0,2]=3 427 B24R3.89720 CC1=CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000693516_100009813428 [0,1,0,0,0,0|0,0,2]=3 428 B24R3.89720 CC1=CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100000693516_100009813428 [0,1,0,0,0,0|0,0,2]=3 429 B24R3.89720 CC1=CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000693516_100010140906 [0,1,0,0,0,0|1,0,2]=4 430 B24R3.89720 CC1=CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000693516_100010140906 [0,1,0,0,0,0|1,0,2]=4 431 B24R3.89720 CC1CCC(CC1)CNC(c2ccccc2)c3ccccn3 270004a_103436935547_100000210380 [0,1,0,0,0,0|3,0,0]=4 432 B24R3.89720 CC1CCC(CC1)CNC(c2ccccc2)c3cccnc3 270004a_103436935547_100000735413 [0,1,0,0,0,0|3,0,0]=4 433 B24R3.89720 CC1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000185489 [0,1,0,0,0,0|2,0,0]=3 434 B24R3.89720 CC1CCC(CC1)NCC(c2ccccc2)c3ccccc3 34a_100000739227_200011216234 [0,1,0,0,0,0|2,0,0]=3 435 B24R3.89720 CC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000188429_100000050448 [0,1,0,0,0,0|0,0,2]=3 436 B24R3.89720 CC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000188429_100009813428 [0,1,0,0,0,0|0,0,0]=1 437 B24R3.89720 CC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000188429_100009813428 [0,1,0,0,0,0|0,0,0]=1 438 B24R3.89720 CC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100000188429_100009813428 [0,1,0,0,0,0|0,0,0]=1 439 B24R3.89720 CC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000188429_100010140906 [0,1,0,0,0,0|1,0,0]=2 440 B24R3.89720 CC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000188429_100010140906 [0,1,0,0,0,0|1,0,0]=2 441 B24R3.89720 CN1CCC(CC1)CNC(c2ccccc2)c3ccccc3 270004a_100000746316_100000210122 [0,1,0,0,0,0|3,0,0]=4 442 B24R3.89720 CN1CCC(CC1)CSC(c2ccccc2)c3ccccc3 62a_100000211591_100015183002 [0,1,0,0,0,0|3,0,0]=4 443 B24R3.89720 CN1CCC(CC1)CSC(c2ccccc2)c3ccccc3 62a_100015183002_100011216954 [0,1,0,0,0,0|3,0,0]=4 444 B24R3.89720 CN1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000210137 [0,1,0,0,0,0|3,0,0]=4 445 B24R3.89720 CN1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000188432_100000050448 [0,1,0,0,0,0|1,0,2]=4 446 B24R3.89720 CN1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000188432_100009813428 [0,1,0,0,0,0|1,0,0]=2 447 B24R3.89720 CN1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000188432_100009813428 [0,1,0,0,0,0|1,0,0]=2 448 B24R3.89720 CN1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000188432_100010140906 [0,1,0,0,0,0|2,0,0]=3 449 B24R3.89720 CN1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000188432_100010140906 [0,1,0,0,0,0|2,0,0]=3 450 B24R3.89720 FC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100015193889_100000050448 [0,1,0,0,0,0|0,0,2]=3 451 B24R3.89720 FC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100015193889_100009813428 [0,1,0,0,0,0|0,0,0]=1 452 B24R3.89720 FC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100015193889_100009813428 [0,1,0,0,0,0|0,0,0]=1 453 B24R3.89720 FC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100015193889_100009813428 [0,1,0,0,0,0|0,0,0]=1 454 B24R3.89720 FC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015193889_100010140906 [0,1,0,0,0,0|1,0,0]=2 455 B24R3.89720 FC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015193889_100010140906 [0,1,0,0,0,0|1,0,0]=2 456 B24R3.89720 O=S1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000752083_100000050448 [0,1,0,0,0,0|1,0,2]=4 457 B24R3.89720 O=S1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000752083_100009813428 [0,1,0,0,0,0|1,0,0]=2 458 B24R3.89720 O=S1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000752083_100009813428 [0,1,0,0,0,0|1,0,0]=2 459 B24R3.89720 O=S1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000752083_100010140906 [0,1,0,0,0,0|2,0,0]=3 460 B24R3.89720 O=S1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000752083_100010140906 [0,1,0,0,0,0|2,0,0]=3 461 B24R3.89720 OC1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000764474 [0,1,0,0,0,0|2,0,0]=3 462 B24R3.89720 OC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100025773856_100000050448 [0,1,0,0,0,0|0,0,2]=3 463 B24R3.89720 OC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100025773856_100009813428 [0,1,0,0,0,0|0,0,0]=1 464 B24R3.89720 OC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100025773856_100009813428 [0,1,0,0,0,0|0,0,0]=1 465 B24R3.89720 OC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100025773856_100010140906 [0,1,0,0,0,0|1,0,0]=2 466 B24R3.89720 OC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100025773856_100010140906 [0,1,0,0,0,0|1,0,0]=2 467 B24R3.243784 CC1=CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100000725631_100009813428 [0,1,0,0,0,0|0,0,2]=3 468 B24R3.243784 CC1=CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100000725631_100009813428 [0,1,0,0,0,0|0,0,2]=3 469 B24R3.243784 CC1=CCCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100000725631_100009813428 [0,1,0,0,0,0|0,0,2]=3 470 B24R3.243784 CC1=CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000725631_100010140906 [0,1,0,0,0,0|1,0,2]=4 471 B24R3.243784 CC1=CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000725631_100010140906 [0,1,0,0,0,0|1,0,2]=4 472 B24R3.243784 CC1CC(CCO1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000755752 [0,1,0,0,0,0|3,0,0]=4 473 B24R3.243784 CC1CCCC(C1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000183594 [0,1,0,0,0,0|2,0,0]=3 474 B24R3.243784 CC1CN(CCO1)CC=C(c2ccccc2)c3ccccc3 270004a_100000729577_100000050448 [0,1,0,0,0,0|1,0,2]=4 475 B24R3.243784 CC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 2230a_100000729577_100009813428 [0,1,0,0,0,0|1,0,0]=2 476 B24R3.243784 CC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 269982a_100000729577_100009813428 [0,1,0,0,0,0|1,0,0]=2 477 B24R3.243784 CC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 34a_100000729577_100009813428 [0,1,0,0,0,0|1,0,0]=2 478 B24R3.243784 CC1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000729577_100010140906 [0,1,0,0,0,0|2,0,0]=3 479 B24R3.243784 CC1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000729577_100010140906 [0,1,0,0,0,0|2,0,0]=3 480 B24R3.243784 CN1CCCC(C1)CNC(c2ccccc2)c3ccccc3 34a_100000162943_100015183302 [0,1,0,0,0,0|3,0,0]=4 481 B24R3.243784 CN1CCCC(C1)COC(c2ccccc2)c3ccccc3 34a_100000211180_100015183302 [0,1,0,0,0,0|3,0,0]=4 482 B24R3.243784 CN1CCCC(C1)COC(c2ccccc2)c3ccccc3 7a_100000211180_100000752043 [0,1,0,0,0,0|3,0,0]=4 483 B24R3.243784 CN1CCCC(C1)CSC(c2ccccc2)c3ccccc3 62a_100000211591_100000752043 [0,1,0,0,0,0|3,0,0]=4 484 B24R3.243784 CN1CCCC(C1)CSC(c2ccccc2)c3ccccc3 62a_100000752043_100011216954 [0,1,0,0,0,0|3,0,0]=4 485 B24R3.243784 CN1CCC[C@H](C1)CNC(c2ccccc2)c3ccccc3 270004a_100016993746_100000210122 [0,1,0,0,0,0|3,0,0]=4 486 B24R3.243784 C[C@@H]1CC(CCN1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100016994030 [0,1,0,0,0,0|3,0,0]=4 487 B24R3.243784 C[C@H]1CCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100000717927_100000050448 [0,1,0,0,0,0|0,0,2]=3 488 B24R3.243784 C[C@H]1CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100000717927_100009813428 [0,1,0,0,0,0|0,0,0]=1 489 B24R3.243784 C[C@H]1CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100000717927_100009813428 [0,1,0,0,0,0|0,0,0]=1 490 B24R3.243784 C[C@H]1CCCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100000717927_100009813428 [0,1,0,0,0,0|0,0,0]=1 491 B24R3.243784 C[C@H]1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000717927_100010140906 [0,1,0,0,0,0|1,0,0]=2 492 B24R3.243784 C[C@H]1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000717927_100010140906 [0,1,0,0,0,0|1,0,0]=2 493 B24R3.243784 FC1CCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100000697950_100000050448 [0,1,0,0,0,0|0,0,2]=3 494 B24R3.243784 FC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100000697950_100009813428 [0,1,0,0,0,0|0,0,0]=1 495 B24R3.243784 FC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100000697950_100009813428 [0,1,0,0,0,0|0,0,0]=1 496 B24R3.243784 FC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100000697950_100009813428 [0,1,0,0,0,0|0,0,0]=1 497 B24R3.243784 FC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000697950_100010140906 [0,1,0,0,0,0|1,0,0]=2 498 B24R3.243784 FC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000697950_100010140906 [0,1,0,0,0,0|1,0,0]=2 499 B24R3.243784 O=C1CN(CCN1)CCC(c2ccccc2)c3ccccc3 2230a_100000184651_100009813428 [0,1,0,0,0,0|1,0,1]=3 500 B24R3.243784 O=C1CN(CCN1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000184651_100010140906 [0,1,0,0,0,0|2,0,1]=4 501 B24R3.243784 O=C1CN(CCO1)CCC(c2ccccc2)c3ccccc3 2230a_100000131268_100009813428 [0,1,0,0,0,0|1,0,1]=3 502 B24R3.243784 O=C1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000131268_100010140906 [0,1,0,0,0,0|2,0,1]=4 503 B24R3.243784 OC1CCCC(C1)CNC(c2ccccc2)c3ccccc3 2230a_100011254705_100000211591 [0,1,0,0,0,0|2,0,0]=3 504 B24R3.243784 OC1CCCC(C1)CNC(c2ccccc2)c3ccccc3 270004a_100011254705_100000210122 [0,1,0,0,0,0|2,0,0]=3 505 B24R3.243784 OC1CCCC(C1)CNC(c2ccccc2)c3ccccn3 270004a_100011254705_100000210380 [0,1,0,0,0,0|3,0,0]=4 506 B24R3.243784 OC1CCCC(C1)CNC(c2ccccc2)c3cccnc3 270004a_100011254705_100000735413 [0,1,0,0,0,0|3,0,0]=4 507 B24R3.243784 OC1CCCC(C1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100012613340 [0,1,0,0,0,0|2,0,0]=3 508 B24R3.243784 OC1CCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100000211013_100000050448 [0,1,0,0,0,0|0,0,2]=3 509 B24R3.243784 OC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100000211013_100009813428 [0,1,0,0,0,0|0,0,0]=1 510 B24R3.243784 OC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100000211013_100009813428 [0,1,0,0,0,0|0,0,0]=1 511 B24R3.243784 OC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000211013_100010140906 [0,1,0,0,0,0|1,0,0]=2 512 B24R3.243784 OC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000211013_100010140906 [0,1,0,0,0,0|1,0,0]=2 513 B24R3.243784 OC1CN(CCO1)CC=C(c2ccccc2)c3ccccc3 270004a_100000688207_100000050448 [0,1,0,0,0,0|1,0,2]=4 514 B24R3.243784 OC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 2230a_100000688207_100009813428 [0,1,0,0,0,0|1,0,0]=2 515 B24R3.243784 OC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 269982a_100000688207_100009813428 [0,1,0,0,0,0|1,0,0]=2 516 B24R3.243784 OC1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000688207_100010140906 [0,1,0,0,0,0|2,0,0]=3 517 B24R3.243784 OC1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000688207_100010140906 [0,1,0,0,0,0|2,0,0]=3 518 B24R3.1994292 CC(CNC1CCCCC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100000210434 [0,1,0,0,0,0|2,0,0]=3 519 B24R3.1994292 CC(CNC1CCCOC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100000753404 [0,1,0,0,0,0|3,0,0]=4 520 B24R3.1994292 CC(CNC1CCCSC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100000057913 [0,1,0,0,0,0|3,0,0]=4 521 B24R3.1994292 CC(CNC1CCNCC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100015192401 [0,1,0,0,0,0|3,0,0]=4 522 B24R3.1994292 CC(CNC1CCOCC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100011217826 [0,1,0,0,0,0|3,0,0]=4 523 B24R3.1994292 CC(CNC1CCSCC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100000203788 [0,1,0,0,0,0|3,0,0]=4 524 B24R3.1994292 CC(OCC1CCCCC1)(c2ccccc2)c3ccccn3 7a_200000075192_100000211423 [0,1,0,0,0,0|3,0,0]=4 525 B24R3.1994292 CC(OCC1CCCCO1)(c2ccccc2)c3ccccc3 7a_100011202337_100000211543 [0,1,0,0,0,0|3,0,0]=4 526 B24R3.1994292 CC(OCC1CCCOC1)(c2ccccc2)c3ccccc3 7a_100011202337_100000741521 [0,1,0,0,0,0|3,0,0]=4 527 B24R3.1994292 CC(OCC1CCOCC1)(c2ccccc2)c3ccccc3 7a_100011202337_100000754603 [0,1,0,0,0,0|3,0,0]=4 528 B24R3.1994292 O=P(COC1CCCCC1)(c2ccccc2)c3ccccc3 34a_200000030349_100000210327 [0,1,0,0,0,0|3,0,0]=4 529 B24R3.1994292 O=P(COC1CCCCC1)(c2ccccc2)c3ccccc3 7a_200000030349_100000210327 [0,1,0,0,0,0|3,0,0]=4 530 B24R3.14922733 CC1(CCCCC1)CNC(c2ccccc2)c3ccccn3 269862a_100000689936_100011935227 [0,1,0,0,0,0|3,0,0]=4 531 B24R3.14922733 CC1(CCCCC1)CNC(c2ccccc2)c3ccccn3 270004a_100000706052_100000210380 [0,1,0,0,0,0|3,0,0]=4 532 B24R3.14922733 CC1(CCCCC1)CNC(c2ccccc2)c3cccnc3 270004a_100000706052_100000735413 [0,1,0,0,0,0|3,0,0]=4 533 B24R3.14922733 CC1(CCCCC1)CNC(c2ccccc2)c3ccncc3 269862a_100025760769_100011935227 [0,1,0,0,0,0|3,0,0]=4 534 B24R3.14922733 CC1(CCOCC1)CNC(c2ccccc2)c3ccccc3 2230a_100000695556_100000211591 [0,1,0,0,0,0|3,0,0]=4 535 B24R3.14922733 CC1(CCOCC1)CNC(c2ccccc2)c3ccccc3 269862a_100000162943_100000701351 [0,1,0,0,0,0|3,0,0]=4 536 B24R3.14922733 CC1(CCOCC1)CNC(c2ccccc2)c3ccccc3 270004a_100000695556_100000210122 [0,1,0,0,0,0|3,0,0]=4 537 B24R3.14922733 CC1(CCOCC1)COC(c2ccccc2)c3ccccc3 7a_100000704393_100011216954 [0,1,0,0,0,0|3,0,0]=4 538 B24R3.14922733 FC1(CCOCC1)CNC(c2ccccc2)c3ccccc3 2230a_100016991512_100000211591 [0,1,0,0,0,0|3,0,0]=4 539 B24R3.14922733 FC1(CCOCC1)CNC(c2ccccc2)c3ccccc3 270004a_100016991512_100000210122 [0,1,0,0,0,0|3,0,0]=4 540 B24R3.14922733 OC1(CCCCC1)CNC(c2ccccc2)c3ccccc3 2230a_100000748649_100000211591 [0,1,0,0,0,0|2,0,0]=3 541 B24R3.14922733 OC1(CCCCC1)CNC(c2ccccc2)c3ccccc3 270004a_100000748649_100000210122 [0,1,0,0,0,0|2,0,0]=3 542 B24R3.14922733 OC1(CCCCC1)CNC(c2ccccc2)c3ccccn3 270004a_100000748649_100000210380 [0,1,0,0,0,0|3,0,0]=4 543 B24R3.14922733 OC1(CCCCC1)CNC(c2ccccc2)c3cccnc3 270004a_100000748649_100000735413 [0,1,0,0,0,0|3,0,0]=4 544 B24R3.14922733 OC1(CCOCC1)CNC(c2ccccc2)c3ccccc3 2230a_100000704115_100000211591 [0,1,0,0,0,0|3,0,0]=4 545 B24R3.14922733 OC1(CCOCC1)CNC(c2ccccc2)c3ccccc3 270004a_100000704115_100000210122 [0,1,0,0,0,0|3,0,0]=4 546 B24R3.14922733 OC1(CCSCC1)CNC(c2ccccc2)c3ccccc3 2230a_100000758141_100000211591 [0,1,0,0,0,0|3,0,0]=4 547 B24R3.14922733 OC1(CCSCC1)CNC(c2ccccc2)c3ccccc3 270004a_100000758141_100000210122 [0,1,0,0,0,0|3,0,0]=4 548 B22R2.15786 C#CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000731252 [0,0,1,0,0,0|0,0,2]=3 549 B22R2.15786 C#CCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000695029 [0,0,1,0,0,0|0,0,2]=3 550 B22R2.15786 C#CCCCNCCC(c1ccccc1)c2ccccc2 34a_100000718082_100009813428 [0,0,1,0,0,0|0,0,2]=3 551 B22R2.15786 C#CCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000731252 [0,0,1,0,0,0|1,0,2]=4 552 B22R2.15786 C#CCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000695029 [0,0,1,0,0,0|1,0,2]=4 553 B22R2.15786 C#CCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000695029 [0,0,1,0,0,0|1,0,2]=4 554 B22R2.15786 C#CCCCOCCC(c1ccccc1)c2ccccc2 34a_100000215630_100009813428 [0,0,1,0,0,0|1,0,2]=4 555 B22R2.15786 C#CCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215417 [0,0,1,0,0,0|1,0,2]=4 556 B22R2.15786 C#CCCCOCCC(c1ccccc1)c2ccccc2 7a_100000215630_100009813428 [0,0,1,0,0,0|1,0,2]=4 557 B22R2.15786 C=CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011713584 [0,0,1,0,0,0|0,0,2]=3 558 B22R2.15786 C=CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000700776_100009813428 [0,0,1,0,0,0|0,0,2]=3 559 B22R2.15786 C=CCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000757094 [0,0,1,0,0,0|0,0,2]=3 560 B22R2.15786 C=CCCCNCCC(c1ccccc1)c2ccccc2 34a_100000700776_100009813428 [0,0,1,0,0,0|0,0,2]=3 561 B22R2.15786 C=CCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011713584 [0,0,1,0,0,0|1,0,2]=4 562 B22R2.15786 C=CCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000757094 [0,0,1,0,0,0|1,0,2]=4 563 B22R2.15786 C=CCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000700776_100010140906 [0,0,1,0,0,0|1,0,2]=4 564 B22R2.15786 C=COCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000039644 [0,0,1,0,0,0|1,0,2]=4 565 B22R2.15786 C=COCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000039644 [0,0,1,0,0,0|1,0,2]=4 566 B22R2.15786 CC#CCCOCCC(c1ccccc1)c2ccccc2 34a_100000750427_100009813428 [0,0,1,0,0,0|1,0,2]=4 567 B22R2.15786 CC/C=C\CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100103147603 [0,0,1,0,0,0|0,0,2]=3 568 B22R2.15786 CC/C=C\CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100103147603 [0,0,1,0,0,0|0,0,2]=3 569 B22R2.15786 CC/C=C\CNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100103147603 [0,0,1,0,0,0|1,0,2]=4 570 B22R2.15786 CC/C=C\CNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100103147603 [0,0,1,0,0,0|1,0,2]=4 571 B22R2.15786 CCC#CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100009813939 [0,0,1,0,0,0|0,0,2]=3 572 B22R2.15786 CCC#CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100009813939 [0,0,1,0,0,0|0,0,2]=3 573 B22R2.15786 CCC#CCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100009813939 [0,0,1,0,0,0|1,0,2]=4 574 B22R2.15786 CCC#CCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100009813939 [0,0,1,0,0,0|1,0,2]=4 575 B22R2.15786 CCC#CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100009813939 [0,0,1,0,0,0|1,0,2]=4 576 B22R2.15786 CCC#CCOCCC(c1ccccc1)c2ccccc2 34a_100000032950_100009813428 [0,0,1,0,0,0|1,0,2]=4 577 B22R2.15786 CCC#CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100009813939 [0,0,1,0,0,0|1,0,2]=4 578 B22R2.15786 CCCCC#CCOC(c1ccccc1)c2ccccc2 7a_200000034558_100011216954 [0,0,1,0,0,0|2,0,1]=4 579 B22R2.15786 CCCCCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210681 [0,0,1,0,0,0|3,0,0]=4 580 B22R2.15786 CCCCCCCNC(c1ccccc1)c2ccccn2 270004a_100000229938_100000210380 [0,0,1,0,0,0|3,0,0]=4 581 B22R2.15786 CCCCCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210681 [0,0,1,0,0,0|3,0,0]=4 582 B22R2.15786 CCCCCCCNC(c1ccccc1)c2cccnc2 270004a_100000229938_100000735413 [0,0,1,0,0,0|3,0,0]=4 583 B22R2.15786 CCCCCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210681 [0,0,1,0,0,0|3,0,0]=4 584 B22R2.15786 CCCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210314 [0,0,1,0,0,0|2,0,0]=3 585 B22R2.15786 CCCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210314 [0,0,1,0,0,0|2,0,0]=3 586 B22R2.15786 CCCCCNCC=C(c1ccccc1)c2ccccc2 270004a_100000209983_100000050448 [0,0,1,0,0,0|0,0,2]=3 587 B22R2.15786 CCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000209983_100009813428 [0,0,1,0,0,0|0,0,0]=1 588 B22R2.15786 CCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210326 [0,0,1,0,0,0|0,0,0]=1 589 B22R2.15786 CCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000718602 [0,0,1,0,0,0|0,0,0]=1 590 B22R2.15786 CCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210326 [0,0,1,0,0,0|1,0,0]=2 591 B22R2.15786 CCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000718602 [0,0,1,0,0,0|1,0,0]=2 592 B22R2.15786 CCCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000209983_100010140906 [0,0,1,0,0,0|1,0,0]=2 593 B22R2.15786 CCCCCNN=CC(c1ccccc1)c2ccccc2 4a_100000694160_100000183636 [0,0,1,0,0,0|1,0,1]=3 594 B22R2.15786 CCCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000210253_100010140906 [0,0,1,0,0,0|2,0,0]=3 595 B22R2.15786 CCCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000210211 [0,0,1,0,0,0|3,0,0]=4 596 B22R2.15786 CCCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000210210 [0,0,1,0,0,0|3,0,0]=4 597 B22R2.15786 CCCCNCCOC(c1ccccc1)c2ccccc2 2230a_100000102301_100000734929 [0,0,1,0,0,0|3,0,0]=4 598 B22R2.15786 CCCCNCCOC(c1ccccc1)c2ccccc2 7a_106832991798_100000734929 [0,0,1,0,0,0|3,0,0]=4 599 B22R2.15786 CCCCOCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000743108 [0,0,1,0,0,0|3,0,0]=4 600 B22R2.15786 CCCCOCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000743108 [0,0,1,0,0,0|3,0,0]=4 601 B22R2.15786 CCCCOCCOC(c1ccccc1)c2ccccc2 34a_100000210227_100000734929 [0,0,1,0,0,0|3,0,0]=4 602 B22R2.15786 CCCCOCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000743108 [0,0,1,0,0,0|3,0,0]=4 603 B22R2.15786 CCCCOCCOC(c1ccccc1)c2ccccc2 7a_100000210227_100000734929 [0,0,1,0,0,0|3,0,0]=4 604 B22R2.15786 CCCCOCCOC(c1ccccc1)c2ccccc2 7a_100000210238_100011216954 [0,0,1,0,0,0|3,0,0]=4 605 B22R2.15786 CCCCOCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000743108 [0,0,1,0,0,0|3,0,0]=4 606 B22R2.15786 CCCCOCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011995733 [0,0,1,0,0,0|3,0,0]=4 607 B22R2.15786 CCCCOCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011995733 [0,0,1,0,0,0|3,0,0]=4 608 B22R2.15786 CCCCOCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011995733 [0,0,1,0,0,0|3,0,0]=4 609 B22R2.15786 CCCCSCCNC(c1ccccc1)c2ccccc2 2230a_100025743550_100000211591 [0,0,1,0,0,0|3,0,0]=4 610 B22R2.15786 CCCCSCCNC(c1ccccc1)c2ccccc2 270004a_100025743550_100000210122 [0,0,1,0,0,0|3,0,0]=4 611 B22R2.15786 CCCOCCCNC(c1ccccc1)c2ccccc2 2230a_100011217757_100000211591 [0,0,1,0,0,0|3,0,0]=4 612 B22R2.15786 CCCOCCCNC(c1ccccc1)c2ccccc2 270004a_100011217757_100000210122 [0,0,1,0,0,0|3,0,0]=4 613 B22R2.15786 CCCOCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011215938 [0,0,1,0,0,0|3,0,0]=4 614 B22R2.15786 CCCOCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011215938 [0,0,1,0,0,0|3,0,0]=4 615 B22R2.15786 CCCOCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011215938 [0,0,1,0,0,0|3,0,0]=4 616 B22R2.15786 CCCOCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100011215938 [0,0,1,0,0,0|3,0,0]=4 617 B22R2.15786 CCOCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100012232248 [0,0,1,0,0,0|3,0,0]=4 618 B22R2.15786 CCOCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100012232248 [0,0,1,0,0,0|3,0,0]=4 619 B22R2.15786 CCOCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100012232248 [0,0,1,0,0,0|3,0,0]=4 620 B22R2.15786 CCOCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100012232248 [0,0,1,0,0,0|3,0,0]=4 621 B22R2.15786 CCOCCNCC=C(c1ccccc1)c2ccccc2 270004a_102516460346_100000050448 [0,0,1,0,0,0|1,0,2]=4 622 B22R2.15786 CCOCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011215890 [0,0,1,0,0,0|1,0,0]=2 623 B22R2.15786 CCOCCNCCC(c1ccccc1)c2ccccc2 2230a_102516460346_100009813428 [0,0,1,0,0,0|1,0,0]=2 624 B22R2.15786 CCOCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210147 [0,0,1,0,0,0|1,0,0]=2 625 B22R2.15786 CCOCCNCCC(c1ccccc1)c2ccccc2 34a_102516460346_100009813428 [0,0,1,0,0,0|1,0,0]=2 626 B22R2.15786 CCOCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011215890 [0,0,1,0,0,0|2,0,0]=3 627 B22R2.15786 CCOCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210147 [0,0,1,0,0,0|2,0,0]=3 628 B22R2.15786 CCOCCNCC[S+](c1ccccc1)c2ccccc2 2230a_102516460346_100010140906 [0,0,1,0,0,0|2,0,0]=3 629 B22R2.15786 CCOCCNN=CC(c1ccccc1)c2ccccc2 4a_100000732670_100000183636 [0,0,1,0,0,0|2,0,1]=4 630 B22R2.15786 CCOCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210147 [0,0,1,0,0,0|2,0,0]=3 631 B22R2.15786 CCOCCOCCC(c1ccccc1)c2ccccc2 34a_100000210136_100009813428 [0,0,1,0,0,0|2,0,0]=3 632 B22R2.15786 CCOCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215890 [0,0,1,0,0,0|2,0,0]=3 633 B22R2.15786 CCOCCOCCC(c1ccccc1)c2ccccc2 7a_100000210136_100009813428 [0,0,1,0,0,0|2,0,0]=3 634 B22R2.15786 CCOCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000210147 [0,0,1,0,0,0|3,0,0]=4 635 B22R2.15786 CCOCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100011215890 [0,0,1,0,0,0|3,0,0]=4 636 B22R2.15786 CCOCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000210136_100010140906 [0,0,1,0,0,0|3,0,0]=4 637 B22R2.15786 CCOCCSCCC(c1ccccc1)c2ccccc2 62a_100000210147_100009813428 [0,0,1,0,0,0|2,0,0]=3 638 B22R2.15786 CCOCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100011215890 [0,0,1,0,0,0|2,0,0]=3 639 B22R2.15786 CCOCCSCC[S+](c1ccccc1)c2ccccc2 62a_100000210147_100010140906 [0,0,1,0,0,0|3,0,0]=4 640 B22R2.15786 CCOCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100011215890 [0,0,1,0,0,0|3,0,0]=4 641 B22R2.15786 CCSCCNCC=C(c1ccccc1)c2ccccc2 270004a_100000106463_100000050448 [0,0,1,0,0,0|1,0,2]=4 642 B22R2.15786 CCSCCNCCC(c1ccccc1)c2ccccc2 2230a_100000106463_100009813428 [0,0,1,0,0,0|1,0,0]=2 643 B22R2.15786 CCSCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000757381 [0,0,1,0,0,0|1,0,0]=2 644 B22R2.15786 CCSCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000757381 [0,0,1,0,0,0|1,0,0]=2 645 B22R2.15786 CCSCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000757381 [0,0,1,0,0,0|2,0,0]=3 646 B22R2.15786 CCSCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000757381 [0,0,1,0,0,0|2,0,0]=3 647 B22R2.15786 CCSCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000106463_100010140906 [0,0,1,0,0,0|2,0,0]=3 648 B22R2.15786 CCSCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000757381 [0,0,1,0,0,0|2,0,0]=3 649 B22R2.15786 CCSCCOCCC(c1ccccc1)c2ccccc2 34a_100000212035_100009813428 [0,0,1,0,0,0|2,0,0]=3 650 B22R2.15786 CCSCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000757381 [0,0,1,0,0,0|2,0,0]=3 651 B22R2.15786 CCSCCOCCC(c1ccccc1)c2ccccc2 7a_100000212035_100009813428 [0,0,1,0,0,0|2,0,0]=3 652 B22R2.15786 CCSCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000757381 [0,0,1,0,0,0|3,0,0]=4 653 B22R2.15786 CCSCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000757381 [0,0,1,0,0,0|3,0,0]=4 654 B22R2.15786 CCSCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000212035_100010140906 [0,0,1,0,0,0|3,0,0]=4 655 B22R2.15786 CNCCCOCCC(c1ccccc1)c2ccccc2 34a_100000213112_100009813428 [0,0,1,0,0,0|2,0,0]=3 656 B22R2.15786 COCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000747528_100000211591 [0,0,1,0,0,0|3,0,0]=4 657 B22R2.15786 COCCCCCNC(c1ccccc1)c2ccccc2 270004a_100000747528_100000210122 [0,0,1,0,0,0|3,0,0]=4 658 B22R2.15786 COCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000730899 [0,0,1,0,0,0|3,0,0]=4 659 B22R2.15786 COCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000755781 [0,0,1,0,0,0|3,0,0]=4 660 B22R2.15786 COCCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000755781 [0,0,1,0,0,0|3,0,0]=4 661 B22R2.15786 COCCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000730899 [0,0,1,0,0,0|3,0,0]=4 662 B22R2.15786 COCCCNCC=C(c1ccccc1)c2ccccc2 270004a_100150723488_100000050448 [0,0,1,0,0,0|1,0,2]=4 663 B22R2.15786 COCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000740836 [0,0,1,0,0,0|1,0,0]=2 664 B22R2.15786 COCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000740836 [0,0,1,0,0,0|1,0,0]=2 665 B22R2.15786 COCCCNCCC(c1ccccc1)c2ccccc2 34a_100150723488_100009813428 [0,0,1,0,0,0|1,0,0]=2 666 B22R2.15786 COCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000740836 [0,0,1,0,0,0|2,0,0]=3 667 B22R2.15786 COCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000740836 [0,0,1,0,0,0|2,0,0]=3 668 B22R2.15786 COCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000740836 [0,0,1,0,0,0|2,0,0]=3 669 B22R2.15786 COCCCOCCC(c1ccccc1)c2ccccc2 34a_100000740835_100009813428 [0,0,1,0,0,0|2,0,0]=3 670 B22R2.15786 COCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000740836 [0,0,1,0,0,0|2,0,0]=3 671 B22R2.15786 COCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000740836 [0,0,1,0,0,0|3,0,0]=4 672 B22R2.15786 COCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000740836 [0,0,1,0,0,0|3,0,0]=4 673 B22R2.15786 COCCCSCCC(c1ccccc1)c2ccccc2 62a_100000709357_100009813428 [0,0,1,0,0,0|2,0,0]=3 674 B22R2.15786 COCCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000709357 [0,0,1,0,0,0|2,0,0]=3 675 B22R2.15786 COCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100000709357_100010140906 [0,0,1,0,0,0|3,0,0]=4 676 B22R2.15786 COCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000709357 [0,0,1,0,0,0|3,0,0]=4 677 B22R2.15786 CSCCCNCC=C(c1ccccc1)c2ccccc2 270004a_100000749238_100000050448 [0,0,1,0,0,0|1,0,2]=4 678 B22R2.15786 CSCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000749238_100009813428 [0,0,1,0,0,0|1,0,0]=2 679 B22R2.15786 CSCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000749238_100010140906 [0,0,1,0,0,0|2,0,0]=3 680 B22R2.15786 CSCCCOCCC(c1ccccc1)c2ccccc2 34a_100000690336_100009813428 [0,0,1,0,0,0|2,0,0]=3 681 B22R2.15786 CSCCCOCCC(c1ccccc1)c2ccccc2 7a_100000690336_100009813428 [0,0,1,0,0,0|2,0,0]=3 682 B22R2.15786 CSCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000690336_100010140906 [0,0,1,0,0,0|3,0,0]=4 683 B22R2.15786 ClCCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000210776_100010140906 [0,0,1,0,0,0|3,0,0]=4 684 B22R2.15786 FCCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100015922095 [0,0,1,0,0,0|3,0,0]=4 685 B22R2.15786 FCCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100015922095 [0,0,1,0,0,0|3,0,0]=4 686 B22R2.15786 FCCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000729378 [0,0,1,0,0,0|3,0,0]=4 687 B22R2.15786 FCCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000729378 [0,0,1,0,0,0|3,0,0]=4 688 B22R2.15786 FCCCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000729378 [0,0,1,0,0,0|3,0,0]=4 689 B22R2.15786 FCCCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000729378 [0,0,1,0,0,0|3,0,0]=4 690 B22R2.15786 FCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000729493 [0,0,1,0,0,0|1,0,0]=2 691 B22R2.15786 FCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000729493 [0,0,1,0,0,0|1,0,0]=2 692 B22R2.15786 FCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000729493 [0,0,1,0,0,0|2,0,0]=3 693 B22R2.15786 FCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000729493 [0,0,1,0,0,0|2,0,0]=3 694 B22R2.15786 FCCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000729493 [0,0,1,0,0,0|2,0,0]=3 695 B22R2.15786 FCCCCOCCC(c1ccccc1)c2ccccc2 34a_100011995726_100009813428 [0,0,1,0,0,0|2,0,0]=3 696 B22R2.15786 FCCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000729493 [0,0,1,0,0,0|2,0,0]=3 697 B22R2.15786 FCCCCOCCC(c1ccccc1)c2ccccc2 7a_100011995726_100009813428 [0,0,1,0,0,0|2,0,0]=3 698 B22R2.15786 FCCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000729493 [0,0,1,0,0,0|3,0,0]=4 699 B22R2.15786 FCCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000729493 [0,0,1,0,0,0|3,0,0]=4 700 B22R2.15786 FCCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100011995726_100010140906 [0,0,1,0,0,0|3,0,0]=4 701 B22R2.15786 N#CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000687738 [0,0,1,0,0,0|1,0,1]=3 702 B22R2.15786 N#CCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000687738 [0,0,1,0,0,0|2,0,1]=4 703 B22R2.15786 N#CCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000687738 [0,0,1,0,0,0|2,0,1]=4 704 B22R2.15786 NCCCCOCCC(c1ccccc1)c2ccccc2 34a_100000750430_100009813428 [0,0,1,0,0,0|2,0,0]=3 705 B22R2.15786 O=CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200011292268 [0,0,1,0,0,0|1,0,1]=3 706 B22R2.15786 O=CCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200011292268 [0,0,1,0,0,0|2,0,1]=4 707 B22R2.15786 O=CCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_200011292268 [0,0,1,0,0,0|2,0,1]=4 708 B22R2.15786 O=CCCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_200011292268 [0,0,1,0,0,0|2,0,1]=4 709 B22R2.15786 O=CCCCSCCC(c1ccccc1)c2ccccc2 62a_200011292268_100009813428 [0,0,1,0,0,0|2,0,1]=4 710 B22R2.15786 OCC#CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200000047223 [0,0,1,0,0,0|1,0,2]=4 711 B22R2.15786 OCC#CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_200000047223 [0,0,1,0,0,0|1,0,2]=4 712 B22R2.15786 OCCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000766143 [0,0,1,0,0,0|3,0,0]=4 713 B22R2.15786 OCCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000686447_100000211591 [0,0,1,0,0,0|3,0,0]=4 714 B22R2.15786 OCCCCCCNC(c1ccccc1)c2ccccc2 270004a_100000686447_100000210122 [0,0,1,0,0,0|3,0,0]=4 715 B22R2.15786 OCCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000766143 [0,0,1,0,0,0|3,0,0]=4 716 B22R2.15786 OCCCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000766143 [0,0,1,0,0,0|3,0,0]=4 717 B22R2.15786 OCCCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000766143 [0,0,1,0,0,0|3,0,0]=4 718 B22R2.15786 OCCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000746330 [0,0,1,0,0,0|3,0,0]=4 719 B22R2.15786 OCCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000746330 [0,0,1,0,0,0|3,0,0]=4 720 B22R2.15786 OCCCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000746330 [0,0,1,0,0,0|3,0,0]=4 721 B22R2.15786 OCCCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000746330 [0,0,1,0,0,0|3,0,0]=4 722 B22R2.15786 OCCCCNCC=C(c1ccccc1)c2ccccc2 270004a_100000750430_100000050448 [0,0,1,0,0,0|1,0,2]=4 723 B22R2.15786 OCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210776 [0,0,1,0,0,0|1,0,0]=2 724 B22R2.15786 OCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000750430_100009813428 [0,0,1,0,0,0|1,0,0]=2 725 B22R2.15786 OCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011216708 [0,0,1,0,0,0|1,0,0]=2 726 B22R2.15786 OCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000750430_100009813428 [0,0,1,0,0,0|1,0,0]=2 727 B22R2.15786 OCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210776 [0,0,1,0,0,0|2,0,0]=3 728 B22R2.15786 OCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011216708 [0,0,1,0,0,0|2,0,0]=3 729 B22R2.15786 OCCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000750430_100010140906 [0,0,1,0,0,0|2,0,0]=3 730 B22R2.15786 OCCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011216708 [0,0,1,0,0,0|2,0,0]=3 731 B22R2.15786 OCCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210776 [0,0,1,0,0,0|2,0,0]=3 732 B22R2.15786 OCCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100011216708 [0,0,1,0,0,0|3,0,0]=4 733 B22R2.15786 OCCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000210776 [0,0,1,0,0,0|3,0,0]=4 734 B22R2.15786 OCCCCSCCC(c1ccccc1)c2ccccc2 62a_100000210776_100009813428 [0,0,1,0,0,0|2,0,0]=3 735 B22R2.15786 OCCCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000210776 [0,0,1,0,0,0|2,0,0]=3 736 B22R2.15786 OCCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100000210776_100010140906 [0,0,1,0,0,0|3,0,0]=4 737 B22R2.15786 OCCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000210776 [0,0,1,0,0,0|3,0,0]=4 738 B22R2.150464 C#CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000688953 [0,0,1,0,0,0|0,0,2]=3 739 B22R2.150464 C#CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000730999 [0,0,1,0,0,0|0,0,2]=3 740 B22R2.150464 C#CCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000688953 [0,0,1,0,0,0|0,0,2]=3 741 B22R2.150464 C/C=C/CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100102629194 [0,0,1,0,0,0|0,0,2]=3 742 B22R2.150464 C/C=C/CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100102629194 [0,0,1,0,0,0|0,0,2]=3 743 B22R2.150464 C=CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100020639649_100009813428 [0,0,1,0,0,0|0,0,2]=3 744 B22R2.150464 C=CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000754431 [0,0,1,0,0,0|0,0,2]=3 745 B22R2.150464 C=CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100020639649_100009813428 [0,0,1,0,0,0|0,0,2]=3 746 B22R2.150464 C=CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000754431 [0,0,1,0,0,0|0,0,2]=3 747 B22R2.150464 C=CCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000754431 [0,0,1,0,0,0|0,0,2]=3 748 B22R2.150464 C=CCCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100020639649_100010140906 [0,0,1,0,0,0|1,0,2]=4 749 B22R2.150464 C=CCCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100020639649_100010140906 [0,0,1,0,0,0|1,0,2]=4 750 B22R2.150464 CC#CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000748600 [0,0,1,0,0,0|0,0,2]=3 751 B22R2.150464 CC#CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000748600 [0,0,1,0,0,0|0,0,2]=3 752 B22R2.150464 CC=CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000070051 [0,0,1,0,0,0|0,0,2]=3 753 B22R2.150464 CC=CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000070051 [0,0,1,0,0,0|0,0,2]=3 754 B22R2.150464 CCCCC(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_100000210211 [0,0,1,0,0,0|3,0,0]=4 755 B22R2.150464 CCCCC(=O)CC[S+](c1ccccc1)c2ccccc2 1458a_100000210183_100010140906 [0,0,1,0,0,0|3,0,0]=4 756 B22R2.150464 CCCCC(=O)NCC(c1ccccc1)c2ccccc2 1626a_100000739227_100000210183 [0,0,1,0,0,0|3,0,0]=4 757 B22R2.150464 CCCCC(=O)NCC(c1ccccc1)c2ccccc2 240690a_100000739227_100000210183 [0,0,1,0,0,0|3,0,0]=4 758 B22R2.150464 CCCCC(=O)NCC(c1ccccc1)c2ccccc2 527a_100000739227_100000210183 [0,0,1,0,0,0|3,0,0]=4 759 B22R2.150464 CCCCC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_200011215066 [0,0,1,0,0,0|2,0,0]=3 760 B22R2.150464 CCCCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000210087 [0,0,1,0,0,0|2,0,0]=3 761 B22R2.150464 CCCCC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_200011215066 [0,0,1,0,0,0|2,0,0]=3 762 B22R2.150464 CCCCN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100000207549_100000050448 [0,0,1,0,0,0|0,0,2]=3 763 B22R2.150464 CCCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000207549_100009813428 [0,0,1,0,0,0|0,0,0]=1 764 B22R2.150464 CCCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210211 [0,0,1,0,0,0|0,0,0]=1 765 B22R2.150464 CCCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000207549_100009813428 [0,0,1,0,0,0|0,0,0]=1 766 B22R2.150464 CCCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210211 [0,0,1,0,0,0|0,0,0]=1 767 B22R2.150464 CCCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210210 [0,0,1,0,0,0|0,0,0]=1 768 B22R2.150464 CCCCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000207549_100010140906 [0,0,1,0,0,0|1,0,0]=2 769 B22R2.150464 CCCCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000207549_100010140906 [0,0,1,0,0,0|1,0,0]=2 770 B22R2.150464 CCCOC(C)CNC(c1ccccc1)c2ccccc2 2230a_100015185124_100000211591 [0,0,1,0,0,0|3,0,0]=4 771 B22R2.150464 CCCOC(C)CNC(c1ccccc1)c2ccccc2 270004a_100015185124_100000210122 [0,0,1,0,0,0|3,0,0]=4 772 B22R2.150464 CCOCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000211967_100009813428 [0,0,1,0,0,0|3,0,0]=4 773 B22R2.150464 CCOCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000739092 [0,0,1,0,0,0|1,0,0]=2 774 B22R2.150464 CCSCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000230394_100009813428 [0,0,1,0,0,0|3,0,0]=4 775 B22R2.150464 CCSCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_200011216171 [0,0,1,0,0,0|3,0,0]=4 776 B22R2.150464 CN(CC=C(c1ccccc1)c2ccccc2)CCCO 270004a_100000213112_100000050448 [0,0,1,0,0,0|1,0,2]=4 777 B22R2.150464 CN(CCC#N)CCC(c1ccccc1)c2ccccc2 2230a_100000184479_100009813428 [0,0,1,0,0,0|1,0,1]=3 778 B22R2.150464 CN(CCC#N)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011215226 [0,0,1,0,0,0|1,0,1]=3 779 B22R2.150464 CN(CCC#N)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011215226 [0,0,1,0,0,0|1,0,1]=3 780 B22R2.150464 CN(CCC#N)CC[S+](c1ccccc1)c2ccccc2 2230a_100000184479_100010140906 [0,0,1,0,0,0|2,0,1]=4 781 B22R2.150464 CN(CCC(c1ccccc1)c2ccccc2)CSC#N 269982a_100025726140_100000211825 [0,0,1,0,0,0|2,0,1]=4 782 B22R2.150464 CN(CCCF)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011934791 [0,0,1,0,0,0|1,0,0]=2 783 B22R2.150464 CN(CCCF)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011934791 [0,0,1,0,0,0|1,0,0]=2 784 B22R2.150464 CN(CCCF)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011934791 [0,0,1,0,0,0|1,0,0]=2 785 B22R2.150464 CN(CCCO)CCC(c1ccccc1)c2ccccc2 2230a_100000213112_100009813428 [0,0,1,0,0,0|1,0,0]=2 786 B22R2.150464 CN(CCCO)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000230001 [0,0,1,0,0,0|1,0,0]=2 787 B22R2.150464 CN(CCCO)CCC(c1ccccc1)c2ccccc2 269982a_100000213112_100009813428 [0,0,1,0,0,0|1,0,0]=2 788 B22R2.150464 CN(CCCO)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011215043 [0,0,1,0,0,0|1,0,0]=2 789 B22R2.150464 CN(CCCO)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000230001 [0,0,1,0,0,0|1,0,0]=2 790 B22R2.150464 CN(CCCO)CC[S+](c1ccccc1)c2ccccc2 2230a_100000213112_100010140906 [0,0,1,0,0,0|2,0,0]=3 791 B22R2.150464 CN(CCCO)CC[S+](c1ccccc1)c2ccccc2 269982a_100000213112_100010140906 [0,0,1,0,0,0|2,0,0]=3 792 B22R2.150464 COCCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000749529_100009813428 [0,0,1,0,0,0|3,0,0]=4 793 B22R2.150464 COCCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000742357 [0,0,1,0,0,0|3,0,0]=4 794 B22R2.150464 COCCN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100000743101_100000050448 [0,0,1,0,0,0|1,0,2]=4 795 B22R2.150464 COCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000743101_100009813428 [0,0,1,0,0,0|1,0,0]=2 796 B22R2.150464 COCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011201679 [0,0,1,0,0,0|1,0,0]=2 797 B22R2.150464 COCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000743101_100009813428 [0,0,1,0,0,0|1,0,0]=2 798 B22R2.150464 COCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000233755 [0,0,1,0,0,0|1,0,0]=2 799 B22R2.150464 COCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011201679 [0,0,1,0,0,0|1,0,0]=2 800 B22R2.150464 COCCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000743101_100010140906 [0,0,1,0,0,0|2,0,0]=3 801 B22R2.150464 COCCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000743101_100010140906 [0,0,1,0,0,0|2,0,0]=3 802 B22R2.150464 CSCCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000174002_100009813428 [0,0,1,0,0,0|3,0,0]=4 803 B22R2.150464 CSCCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100011217047 [0,0,1,0,0,0|3,0,0]=4 804 B22R2.150464 CSCCN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100000686725_100000050448 [0,0,1,0,0,0|1,0,2]=4 805 B22R2.150464 CSCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000686725_100009813428 [0,0,1,0,0,0|1,0,0]=2 806 B22R2.150464 CSCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000751147 [0,0,1,0,0,0|1,0,0]=2 807 B22R2.150464 CSCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000686725_100009813428 [0,0,1,0,0,0|1,0,0]=2 808 B22R2.150464 CSCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000212216 [0,0,1,0,0,0|1,0,0]=2 809 B22R2.150464 CSCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000212216 [0,0,1,0,0,0|1,0,0]=2 810 B22R2.150464 CSCCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000686725_100010140906 [0,0,1,0,0,0|2,0,0]=3 811 B22R2.150464 CSCCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000686725_100010140906 [0,0,1,0,0,0|2,0,0]=3 812 B22R2.150464 C[C@H](CCCO)CNC(c1ccccc1)c2ccccc2 2230a_100160569302_100000211591 [0,0,1,0,0,0|3,0,0]=4 813 B22R2.150464 C[C@H](CCCO)CNC(c1ccccc1)c2ccccc2 270004a_100160569302_100000210122 [0,0,1,0,0,0|3,0,0]=4 814 B22R2.718999 C#CCN(CC)CCC(c1ccccc1)c2ccccc2 2230a_100000744766_100009813428 [0,0,1,0,0,0|0,0,2]=3 815 B22R2.718999 C#CCN(CC)CCC(c1ccccc1)c2ccccc2 269982a_100000744766_100009813428 [0,0,1,0,0,0|0,0,2]=3 816 B22R2.718999 C#CCN(CC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000744766_100010140906 [0,0,1,0,0,0|1,0,2]=4 817 B22R2.718999 C#CCN(CC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000744766_100010140906 [0,0,1,0,0,0|1,0,2]=4 818 B22R2.718999 CCC(COC)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000757811 [0,0,1,0,0,0|3,0,0]=4 819 B22R2.718999 CCCC(CC)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000687865 [0,0,1,0,0,0|2,0,0]=3 820 B22R2.718999 CCCN(CC)CC=C(c1ccccc1)c2ccccc2 270004a_100000226822_100000050448 [0,0,1,0,0,0|0,0,2]=3 821 B22R2.718999 CCCN(CC)CCC(c1ccccc1)c2ccccc2 2230a_100000226822_100009813428 [0,0,1,0,0,0|0,0,0]=1 822 B22R2.718999 CCCN(CC)CCC(c1ccccc1)c2ccccc2 269982a_100000226822_100009813428 [0,0,1,0,0,0|0,0,0]=1 823 B22R2.718999 CCCN(CC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000226822_100010140906 [0,0,1,0,0,0|1,0,0]=2 824 B22R2.718999 CCCN(CC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000226822_100010140906 [0,0,1,0,0,0|1,0,0]=2 825 B22R2.718999 CCN(CC=C(c1ccccc1)c2ccccc2)CCO 270004a_100000210973_100000050448 [0,0,1,0,0,0|1,0,2]=4 826 B22R2.718999 CCN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100000210973_100009813428 [0,0,1,0,0,0|1,0,0]=2 827 B22R2.718999 CCN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100000210973_100009813428 [0,0,1,0,0,0|1,0,0]=2 828 B22R2.718999 CCN(CCO)CC[S+](c1ccccc1)c2ccccc2 2230a_100000210973_100010140906 [0,0,1,0,0,0|2,0,0]=3 829 B22R2.718999 CCN(CCO)CC[S+](c1ccccc1)c2ccccc2 269982a_100000210973_100010140906 [0,0,1,0,0,0|2,0,0]=3 830 B22R2.718999 CCOC(CC)CNC(c1ccccc1)c2ccccc2 2230a_100015183923_100000211591 [0,0,1,0,0,0|3,0,0]=4 831 B22R2.718999 CCOC(CC)CNC(c1ccccc1)c2ccccc2 270004a_100015183923_100000210122 [0,0,1,0,0,0|3,0,0]=4 832 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCCCC4 270004a_100016995487_100000210434 [0,0,0,1,0,0|2,0,0]=3 833 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCCCC4 34a_100016995487_100000210327 [0,0,0,1,0,0|2,0,0]=3 834 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCCOC4 270004a_100016995487_100000753404 [0,0,0,1,0,0|3,0,0]=4 835 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCCOC4 34a_100016995487_100000693364 [0,0,0,1,0,0|3,0,0]=4 836 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCCSC4 270004a_100016995487_100000057913 [0,0,0,1,0,0|3,0,0]=4 837 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCNCC4 270004a_100016995487_100015192401 [0,0,0,1,0,0|3,0,0]=4 838 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCOCC4 270004a_100016995487_100011217826 [0,0,0,1,0,0|3,0,0]=4 839 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCSCC4 270004a_100016995487_100000203788 [0,0,0,1,0,0|3,0,0]=4 840 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2CNC4CCSCC4 34a_100016995487_100000069128 [0,0,0,1,0,0|3,0,0]=4 841 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2COC4CCCOC4 34a_100011215202_100000693364 [0,0,0,1,0,0|3,0,0]=4 842 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2COC4CCCOC4 7a_100011215202_100000693364 [0,0,0,1,0,0|3,0,0]=4 843 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2COC4CCOCC4 7a_100011215202_100000686592 [0,0,0,1,0,0|3,0,0]=4 844 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2COC4CCSCC4 34a_100011215202_100000069128 [0,0,0,1,0,0|3,0,0]=4 845 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2COC4CCSCC4 7a_100011215202_100011500858 [0,0,0,1,0,0|3,0,0]=4 846 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCCCC4 2230a_100000104097_100000211423 [0,0,0,1,0,0|2,0,0]=3 847 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCCCC4 2230a_100000210473_100000211598 [0,0,0,1,0,0|2,0,0]=3 848 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCCCC4 269862a_100000104097_100000211278 [0,0,0,1,0,0|2,0,0]=3 849 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCCCO4 2230a_100000104097_100000211543 [0,0,0,1,0,0|3,0,0]=4 850 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCCCO4 2230a_100000174945_100000211598 [0,0,0,1,0,0|3,0,0]=4 851 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCCOC4 2230a_100000104097_100000741521 [0,0,0,1,0,0|3,0,0]=4 852 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCCOC4 2230a_100000720124_100000211598 [0,0,0,1,0,0|3,0,0]=4 853 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCOCC4 2230a_100000104097_100000754603 [0,0,0,1,0,0|3,0,0]=4 854 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCOCC4 2230a_100000746373_100000211598 [0,0,0,1,0,0|3,0,0]=4 855 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCOCC4 269862a_100000104097_100000749017 [0,0,0,1,0,0|3,0,0]=4 856 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCSCC4 2230a_100015188806_100000211598 [0,0,0,1,0,0|3,0,0]=4 857 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCSCC4 269862a_100000104097_100000067145 [0,0,0,1,0,0|3,0,0]=4 858 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2NCC4CCSCC4 270004a_100000104097_100000067145 [0,0,0,1,0,0|3,0,0]=4 859 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2OCC4CCCCO4 7a_100000211370_100000211598 [0,0,0,1,0,0|3,0,0]=4 860 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2OCC4CCCCO4 7a_100000211495_100000211543 [0,0,0,1,0,0|3,0,0]=4 861 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2OCC4CCCOC4 7a_100000211495_100000741521 [0,0,0,1,0,0|3,0,0]=4 862 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2OCC4CCOCC4 7a_100000211495_100000754603 [0,0,0,1,0,0|3,0,0]=4 863 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2OCC4CCSCC4 7a_100000070558_100000211598 [0,0,0,1,0,0|3,0,0]=4 864 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2SCC4CCCOC4 62a_100000211598_100000741521 [0,0,0,1,0,0|3,0,0]=4 865 B24R4.1585413 c1ccc2c(c1)-c3ccccc3C2SCC4CCOCC4 62a_100000211598_100000749018 [0,0,0,1,0,0|3,0,0]=4 866 B24R4.1586261 c1ccc(cc1)C(CNC2CCC3C2C3)c4ccccc4 269862a_100000739227_100000692480 [0,0,0,1,0,0|2,0,0]=3 867 B24R4.1586261 c1ccc(cc1)C(CNC2CCC3C2C3)c4ccccc4 270004a_100000739227_100000692480 [0,0,0,1,0,0|2,0,0]=3 868 B24R4.1586265 c1ccc(cc1)C(NC2C3CCC2CC3)c4ccccc4 34a_100000162943_100009813300 [0,0,0,1,0,0|2,0,0]=3 869 B24R4.1586265 c1ccc(cc1)C(OC2C3CCC2CC3)c4ccccc4 34a_100000211180_100009813300 [0,0,0,1,0,0|2,0,0]=3 870 B24R4.6579748 C(=C(c1ccccc1)c2ccccc2)CN3CC4CC4C3 270004a_100000741873_100000050448 [0,0,0,1,0,0|0,0,2]=3 871 B24R4.6579748 c1ccc(cc1)C(CCN2CC3CC3C2)c4ccccc4 2230a_100000741873_100009813428 [0,0,0,1,0,0|0,0,0]=1 872 B24R4.6579748 c1ccc(cc1)C(CCN2CC3CC3C2)c4ccccc4 269982a_100000741873_100009813428 [0,0,0,1,0,0|0,0,0]=1 873 B24R4.6579748 c1ccc(cc1)C(CCN2CC3CC3C2)c4ccccc4 34a_100000741873_100009813428 [0,0,0,1,0,0|0,0,0]=1 874 B24R4.6579748 c1ccc(cc1)C(CNC2CC3CC3C2)c4ccccc4 270004a_100000739227_100010340937 [0,0,0,1,0,0|2,0,0]=3 875 B24R4.6579748 c1ccc(cc1)[S+](CCN2CC3CC3C2)c4ccccc4 2230a_100000741873_100010140906 [0,0,0,1,0,0|1,0,0]=2 876 B24R4.6579748 c1ccc(cc1)[S+](CCN2CC3CC3C2)c4ccccc4 269982a_100000741873_100010140906 [0,0,0,1,0,0|1,0,0]=2 877 B24R4.6581432 c1ccc(cc1)C(c2ccccc2)N3CC4CCC3CC4 2230a_100000750499_100000211591 [0,0,0,1,0,0|2,0,0]=3 878 B24R4.6581432 c1ccc(cc1)C(c2ccccc2)N3CC4CCC3CC4 269982a_100000750499_100000211591 [0,0,0,1,0,0|2,0,0]=3 879 B24R4.6581432 c1ccc(cc1)C(c2ccccc2)N3CC4CCC3CC4 270004a_100000750499_100000210122 [0,0,0,1,0,0|2,0,0]=3 880 B24R4.6581432 c1ccc(cc1)C(c2ccccn2)N3CC4CCC3CC4 270004a_100000750499_100000210380 [0,0,0,1,0,0|3,0,0]=4 881 B24R4.6581432 c1ccc(cc1)C(c2cccnc2)N3CC4CCC3CC4 270004a_100000750499_100000735413 [0,0,0,1,0,0|3,0,0]=4 882 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3ccccc3 2230a_100000182618_100000211591 [0,0,0,0,1,0|2,0,0]=3 883 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3ccccc3 270004a_100000162943_100000210434 [0,0,0,0,1,0|2,0,0]=3 884 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3ccccc3 270004a_100000182618_100000210122 [0,0,0,0,1,0|2,0,0]=3 885 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3ccccc3 34a_100000162943_100000210327 [0,0,0,0,1,0|2,0,0]=3 886 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3ccccn3 270004a_100000182618_100000210380 [0,0,0,0,1,0|3,0,0]=4 887 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3ccccn3 270004a_100000689936_100000210434 [0,0,0,0,1,0|3,0,0]=4 888 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3cccnc3 270004a_100000182618_100000735413 [0,0,0,0,1,0|3,0,0]=4 889 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3cccnc3 270004a_100011232609_100000210434 [0,0,0,0,1,0|3,0,0]=4 890 B22R3.3728 c1ccc(cc1)C(NC2CCCCC2)c3ccncc3 270004a_100025760769_100000210434 [0,0,0,0,1,0|3,0,0]=4 891 B22R3.3728 c1ccc(cc1)C(NC2CCCOC2)c3ccccc3 2230a_100000719290_100000211591 [0,0,0,0,1,0|3,0,0]=4 892 B22R3.3728 c1ccc(cc1)C(NC2CCCOC2)c3ccccc3 270004a_100000162943_100000753404 [0,0,0,0,1,0|3,0,0]=4 893 B22R3.3728 c1ccc(cc1)C(NC2CCCOC2)c3ccccc3 270004a_100000719290_100000210122 [0,0,0,0,1,0|3,0,0]=4 894 B22R3.3728 c1ccc(cc1)C(NC2CCCOC2)c3ccccc3 34a_100000162943_100000693364 [0,0,0,0,1,0|3,0,0]=4 895 B22R3.3728 c1ccc(cc1)C(NC2CCCSC2)c3ccccc3 270004a_100000162943_100000057913 [0,0,0,0,1,0|3,0,0]=4 896 B22R3.3728 c1ccc(cc1)C(NC2CCNCC2)c3ccccc3 270004a_100000162943_100015192401 [0,0,0,0,1,0|3,0,0]=4 897 B22R3.3728 c1ccc(cc1)C(NC2CCOCC2)c3ccccc3 2230a_100000741149_100000211591 [0,0,0,0,1,0|3,0,0]=4 898 B22R3.3728 c1ccc(cc1)C(NC2CCOCC2)c3ccccc3 270004a_100000162943_100011217826 [0,0,0,0,1,0|3,0,0]=4 899 B22R3.3728 c1ccc(cc1)C(NC2CCOCC2)c3ccccc3 270004a_100000741149_100000210122 [0,0,0,0,1,0|3,0,0]=4 900 B22R3.3728 c1ccc(cc1)C(NC2CCSCC2)c3ccccc3 2230a_100000748639_100000211591 [0,0,0,0,1,0|3,0,0]=4 901 B22R3.3728 c1ccc(cc1)C(NC2CCSCC2)c3ccccc3 270004a_100000162943_100000203788 [0,0,0,0,1,0|3,0,0]=4 902 B22R3.3728 c1ccc(cc1)C(NC2CCSCC2)c3ccccc3 270004a_100000748639_100000210122 [0,0,0,0,1,0|3,0,0]=4 903 B22R3.3728 c1ccc(cc1)C(NC2CCSCC2)c3ccccc3 34a_100000162943_100000069128 [0,0,0,0,1,0|3,0,0]=4 904 B22R3.3728 c1ccc(cc1)C(OC2CCCCC2)c3ccccn3 7a_100000180852_100000210327 [0,0,0,0,1,0|3,0,0]=4 905 B22R3.3728 c1ccc(cc1)C(OC2CCCOC2)c3ccccc3 34a_100000211180_100000693364 [0,0,0,0,1,0|3,0,0]=4 906 B22R3.3728 c1ccc(cc1)C(OC2CCCOC2)c3ccccc3 7a_100000211180_100000693364 [0,0,0,0,1,0|3,0,0]=4 907 B22R3.3728 c1ccc(cc1)C(OC2CCCSC2)c3ccccc3 7a_100015962668_100011216954 [0,0,0,0,1,0|3,0,0]=4 908 B22R3.3728 c1ccc(cc1)C(OC2CCOCC2)c3ccccc3 7a_100000211180_100000686592 [0,0,0,0,1,0|3,0,0]=4 909 B22R3.3728 c1ccc(cc1)C(OC2CCSCC2)c3ccccc3 34a_100000211180_100000069128 [0,0,0,0,1,0|3,0,0]=4 910 B22R3.3728 c1ccc(cc1)C(OC2CCSCC2)c3ccccc3 7a_100000211180_100011500858 [0,0,0,0,1,0|3,0,0]=4 911 B22R3.3728 c1ccc(cc1)C(OC2CCSCC2)c3ccccc3 7a_100000731022_100011216954 [0,0,0,0,1,0|3,0,0]=4 912 B22R3.3728 c1ccc(cc1)C(SC2CCCOC2)c3ccccc3 62a_100000211591_100000693364 [0,0,0,0,1,0|3,0,0]=4 913 B22R3.3728 c1ccc(cc1)C(SC2CCOCC2)c3ccccc3 62a_100000211591_100011324220 [0,0,0,0,1,0|3,0,0]=4 914 B22R3.74155 c1ccc(cc1)C(NCC2CCCCC2)c3ccco3 2230a_100015185865_100000211423 [0,0,0,0,1,0|3,0,0]=4 915 B22R3.74155 c1ccc(cc1)C(NCC2CCCCC2)c3ccco3 269862a_100015185865_100000211278 [0,0,0,0,1,0|3,0,0]=4 916 B22R3.74155 c1ccc(cc1)C(NCC2CCCCC2)c3ccco3 34a_100015185865_100000211423 [0,0,0,0,1,0|3,0,0]=4 917 B22R3.74155 c1ccc(cc1)C(NCC2CCCCC2)c3ccoc3 2230a_100102946537_100000211423 [0,0,0,0,1,0|3,0,0]=4 918 B22R3.74155 c1ccc(cc1)C(NCC2CCCCC2)c3ccoc3 269862a_100102946537_100000211278 [0,0,0,0,1,0|3,0,0]=4 919 B22R3.74155 c1ccc(cc1)C(NCC2CCCCC2)c3ccoc3 34a_100102946537_100000211423 [0,0,0,0,1,0|3,0,0]=4 920 B22R3.74289 C(=C(c1ccccc1)c2ccccc2)CN3CCCC3 270004a_100000188435_100000050448 [0,0,0,0,1,0|0,0,2]=3 921 B22R3.74289 C(=C(c1ccccc1)c2ccccc2)CN3CCSC3 270004a_100011215254_100000050448 [0,0,0,0,1,0|1,0,2]=4 922 B22R3.74289 C1=CCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100015195280_100009813428 [0,0,0,0,1,0|0,0,2]=3 923 B22R3.74289 C1=CCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015195280_100010140906 [0,0,0,0,1,0|1,0,2]=4 924 B22R3.74289 c1ccc(cc1)C(CCN2CCCC2)c3ccccc3 2230a_100000188435_100009813428 [0,0,0,0,1,0|0,0,0]=1 925 B22R3.74289 c1ccc(cc1)C(CCN2CCCC2)c3ccccc3 269982a_100000188435_100009813428 [0,0,0,0,1,0|0,0,0]=1 926 B22R3.74289 c1ccc(cc1)C(CCN2CCSC2)c3ccccc3 2230a_100011215254_100009813428 [0,0,0,0,1,0|1,0,0]=2 927 B22R3.74289 c1ccc(cc1)C(CCN2CCSC2)c3ccccc3 269982a_100011215254_100009813428 [0,0,0,0,1,0|1,0,0]=2 928 B22R3.74289 c1ccc(cc1)C(CNC2CCCC2)c3ccccc3 2230a_100000739227_100000179811 [0,0,0,0,1,0|2,0,0]=3 929 B22R3.74289 c1ccc(cc1)C(CNC2CCCC2)c3ccccc3 270004a_100000739227_100000210133 [0,0,0,0,1,0|2,0,0]=3 930 B22R3.74289 c1ccc(cc1)C(CNC2CCCC2)c3ccccc3 34a_100000739227_100000179811 [0,0,0,0,1,0|2,0,0]=3 931 B22R3.74289 c1ccc(cc1)C(CNC2CCOC2)c3ccccc3 2230a_100000739227_100000731011 [0,0,0,0,1,0|3,0,0]=4 932 B22R3.74289 c1ccc(cc1)C(CNC2CCOC2)c3ccccc3 270004a_100000739227_100000752484 [0,0,0,0,1,0|3,0,0]=4 933 B22R3.74289 c1ccc(cc1)C(CNC2CCOC2)c3ccccc3 34a_100000739227_100000690089 [0,0,0,0,1,0|3,0,0]=4 934 B22R3.74289 c1ccc(cc1)C(CNC2CCSC2)c3ccccc3 270004a_100000739227_100000212027 [0,0,0,0,1,0|3,0,0]=4 935 B22R3.74289 c1ccc(cc1)C(COC2CCCC2)c3ccccc3 34a_100011215272_100000179811 [0,0,0,0,1,0|2,0,0]=3 936 B22R3.74289 c1ccc(cc1)C(COC2CCCC2)c3ccccc3 7a_100011215272_100000179811 [0,0,0,0,1,0|2,0,0]=3 937 B22R3.74289 c1ccc(cc1)C(COC2CCOC2)c3ccccc3 34a_100011215272_100000690089 [0,0,0,0,1,0|3,0,0]=4 938 B22R3.74289 c1ccc(cc1)C(COC2CCOC2)c3ccccc3 7a_100011215272_100000731011 [0,0,0,0,1,0|3,0,0]=4 939 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccccc3 2230a_100000162943_100000740388 [0,0,0,0,1,0|2,0,0]=3 940 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccccc3 2230a_100000737975_100000211591 [0,0,0,0,1,0|2,0,0]=3 941 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccccc3 269862a_100000162943_100000746403 [0,0,0,0,1,0|2,0,0]=3 942 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccccc3 270004a_100000737975_100000210122 [0,0,0,0,1,0|2,0,0]=3 943 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccccc3 34a_100000162943_100000740388 [0,0,0,0,1,0|2,0,0]=3 944 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccccn3 2230a_100000689936_100000740388 [0,0,0,0,1,0|3,0,0]=4 945 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccccn3 269862a_100000689936_100000746403 [0,0,0,0,1,0|3,0,0]=4 946 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccccn3 270004a_100000737975_100000210380 [0,0,0,0,1,0|3,0,0]=4 947 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3cccnc3 2230a_100011232609_100000740388 [0,0,0,0,1,0|3,0,0]=4 948 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3cccnc3 270004a_100000737975_100000735413 [0,0,0,0,1,0|3,0,0]=4 949 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccncc3 2230a_100025760769_100000740388 [0,0,0,0,1,0|3,0,0]=4 950 B22R3.74289 c1ccc(cc1)C(NCC2CCCC2)c3ccncc3 269862a_100025760769_100000746403 [0,0,0,0,1,0|3,0,0]=4 951 B22R3.74289 c1ccc(cc1)C(NCC2CCCO2)c3ccccc3 2230a_100000162943_100000203698 [0,0,0,0,1,0|3,0,0]=4 952 B22R3.74289 c1ccc(cc1)C(NCC2CCOC2)c3ccccc3 2230a_100000162943_100000702531 [0,0,0,0,1,0|3,0,0]=4 953 B22R3.74289 c1ccc(cc1)C(NCC2CCOC2)c3ccccc3 2230a_100000737293_100000211591 [0,0,0,0,1,0|3,0,0]=4 954 B22R3.74289 c1ccc(cc1)C(NCC2CCOC2)c3ccccc3 270004a_100000737293_100000210122 [0,0,0,0,1,0|3,0,0]=4 955 B22R3.74289 c1ccc(cc1)C(NCC2CCOC2)c3ccccc3 34a_100000162943_100011261433 [0,0,0,0,1,0|3,0,0]=4 956 B22R3.74289 c1ccc(cc1)C(NC[C@@H]2CCCO2)c3ccccc3 2230a_100020590478_100000211591 [0,0,0,0,1,0|3,0,0]=4 957 B22R3.74289 c1ccc(cc1)C(NC[C@@H]2CCCO2)c3ccccc3 270004a_100020590478_100000210122 [0,0,0,0,1,0|3,0,0]=4 958 B22R3.74289 c1ccc(cc1)C(OCC2CCCC2)c3ccccc3 34a_100000211180_100000740388 [0,0,0,0,1,0|2,0,0]=3 959 B22R3.74289 c1ccc(cc1)C(OCC2CCCC2)c3ccccc3 7a_100000211180_100000740388 [0,0,0,0,1,0|2,0,0]=3 960 B22R3.74289 c1ccc(cc1)C(OCC2CCCC2)c3ccccc3 7a_100000742336_100011216954 [0,0,0,0,1,0|2,0,0]=3 961 B22R3.74289 c1ccc(cc1)C(OCC2CCCC2)c3ccccn3 7a_100000180852_100000740388 [0,0,0,0,1,0|3,0,0]=4 962 B22R3.74289 c1ccc(cc1)C(OCC2CCCO2)c3ccccc3 7a_100000210270_100011216954 [0,0,0,0,1,0|3,0,0]=4 963 B22R3.74289 c1ccc(cc1)C(OCC2CCCO2)c3ccccc3 7a_100000211180_100000203698 [0,0,0,0,1,0|3,0,0]=4 964 B22R3.74289 c1ccc(cc1)C(OCC2CCOC2)c3ccccc3 34a_100000211180_100011261433 [0,0,0,0,1,0|3,0,0]=4 965 B22R3.74289 c1ccc(cc1)C(OCC2CCOC2)c3ccccc3 7a_100000211180_100000702531 [0,0,0,0,1,0|3,0,0]=4 966 B22R3.74289 c1ccc(cc1)C(SCC2CCCO2)c3ccccc3 62a_100000203698_100011216954 [0,0,0,0,1,0|3,0,0]=4 967 B22R3.74289 c1ccc(cc1)C(SCC2CCCO2)c3ccccc3 62a_100000211591_100000203698 [0,0,0,0,1,0|3,0,0]=4 968 B22R3.74289 c1ccc(cc1)C(SCC2CCOC2)c3ccccc3 62a_100000211591_100000702531 [0,0,0,0,1,0|3,0,0]=4 969 B22R3.74289 c1ccc(cc1)C(SCC2CCOC2)c3ccccc3 62a_100000702531_100011216954 [0,0,0,0,1,0|3,0,0]=4 970 B22R3.74289 c1ccc(cc1)[S+](CCN2CCCC2)c3ccccc3 2230a_100000188435_100010140906 [0,0,0,0,1,0|1,0,0]=2 971 B22R3.74289 c1ccc(cc1)[S+](CCN2CCCC2)c3ccccc3 269982a_100000188435_100010140906 [0,0,0,0,1,0|1,0,0]=2 972 B22R3.74289 c1ccc(cc1)[S+](CCN2CCSC2)c3ccccc3 2230a_100011215254_100010140906 [0,0,0,0,1,0|2,0,0]=3 973 B22R3.74289 c1ccc(cc1)[S+](CCN2CCSC2)c3ccccc3 269982a_100011215254_100010140906 [0,0,0,0,1,0|2,0,0]=3 974 B24R3.5775 c1ccc(cc1)CC(NCC2CCCCO2)c3ccccc3 2230a_100025772854_100000211543 [0,0,0,0,0,1|3,0,0]=4 975 B24R3.5775 c1ccc(cc1)CC(NCC2CCCOC2)c3ccccc3 2230a_100025772854_100000741521 [0,0,0,0,0,1|3,0,0]=4 976 B24R3.5775 c1ccc(cc1)CC(NCC2CCOCC2)c3ccccc3 2230a_100025772854_100000754603 [0,0,0,0,0,1|3,0,0]=4 977 B24R3.5775 c1ccc(cc1)CC(NCC2CCOCC2)c3ccccc3 269862a_100025772854_100000749017 [0,0,0,0,0,1|3,0,0]=4 978 B24R3.5775 c1ccc(cc1)CC(NCC2CCSCC2)c3ccccc3 269862a_100025772854_100000067145 [0,0,0,0,0,1|3,0,0]=4 979 B24R3.5775 c1ccc(cc1)CC(NCC2CCSCC2)c3ccccc3 270004a_100025772854_100000067145 [0,0,0,0,0,1|3,0,0]=4 980 B24R3.5775 c1ccc(cc1)CC(OCC2CCCCO2)c3ccccc3 34a_100000246494_100000211543 [0,0,0,0,0,1|3,0,0]=4 981 B24R3.5775 c1ccc(cc1)CC(OCC2CCCCO2)c3ccccc3 7a_100000246494_100000211543 [0,0,0,0,0,1|3,0,0]=4 982 B24R3.5775 c1ccc(cc1)CC(OCC2CCCOC2)c3ccccc3 34a_100000246494_100000741521 [0,0,0,0,0,1|3,0,0]=4 983 B24R3.5775 c1ccc(cc1)CC(OCC2CCCOC2)c3ccccc3 7a_100000246494_100000741521 [0,0,0,0,0,1|3,0,0]=4 984 B24R3.5775 c1ccc(cc1)CC(OCC2CCOCC2)c3ccccc3 34a_100000246494_100000754603 [0,0,0,0,0,1|3,0,0]=4 985 B24R3.5775 c1ccc(cc1)CC(OCC2CCOCC2)c3ccccc3 7a_100000246494_100000754603 [0,0,0,0,0,1|3,0,0]=4 986 B24R3.5775 c1ccc(cc1)CN(CCC2CCOCC2)c3ccccc3 2230a_100000188819_100011934994 [0,0,0,0,0,1|3,0,0]=4 987 B24R3.5775 c1ccc(cc1)CN(CCC2CCOCC2)c3ccccc3 269982a_100000188819_100011934994 [0,0,0,0,0,1|3,0,0]=4 988 B24R3.5775 c1ccc(cc1)CN(CCC2CCOCC2)c3ccccc3 34a_100000188819_100011934994 [0,0,0,0,0,1|3,0,0]=4 989 B24R3.5775 c1ccc(cc1)CN(CCN2CCCCC2)c3ccccc3 2230a_100000188819_100000739454 [0,0,0,0,0,1|1,0,0]=2 990 B24R3.5775 c1ccc(cc1)CN(CCN2CCCCC2)c3ccccc3 269982a_100000188819_100000739454 [0,0,0,0,0,1|1,0,0]=2 991 B24R3.5775 c1ccc(cc1)CN(CCN2CCCCC2)c3ccccc3 34a_100000188819_100000739454 [0,0,0,0,0,1|1,0,0]=2 992 B24R3.5775 c1ccc(cc1)CN(CCN2CCOCC2)c3ccccc3 2230a_100000188819_100025781966 [0,0,0,0,0,1|2,0,0]=3 993 B24R3.5775 c1ccc(cc1)CN(CCN2CCOCC2)c3ccccc3 269982a_100000188819_100000753993 [0,0,0,0,0,1|2,0,0]=3 994 B24R3.5791 C(=NNC1CCCCC1)C(c2ccccc2)c3ccccc3 4a_100000709804_100000183636 [0,0,0,0,0,1|2,0,1]=4 995 B24R3.5791 C1=C(CCCC1)CCNC(c2ccccc2)c3ccccn3 270004a_100000212019_100000210380 [0,0,0,0,0,1|2,0,1]=4 996 B24R3.5791 C1=C(CCCC1)CCNC(c2ccccc2)c3cccnc3 270004a_100000212019_100000735413 [0,0,0,0,0,1|2,0,1]=4 997 B24R3.5791 C1=C(CSCC1)CNCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000707794 [0,0,0,0,0,1|2,0,1]=4 998 B24R3.5791 C1=CC(CCC1)NCCC(c2ccccc2)c3ccccc3 2230a_100000272388_100000751183 [0,0,0,0,0,1|1,0,2]=4 999 B24R3.5791 C1=CCC(CC1)CNCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000189434 [0,0,0,0,0,1|1,0,2]=4 1000 B24R3.5791 C1=CCN(CC1)CCOC(c2ccccc2)c3ccccc3 2230a_100000698166_100000734929 [0,0,0,0,0,1|0,0,2]=3 1001 B24R3.5791 C1=CCN(CC1)CCOC(c2ccccc2)c3ccccc3 269982a_100000698166_100000734929 [0,0,0,0,0,1|0,0,2]=3 1002 B24R3.5791 C1=CCN(CC1)CCOC(c2ccccc2)c3ccccc3 34a_100000698166_100000734929 [0,0,0,0,0,1|0,0,2]=3 1003 B24R3.5791 c1ccc(cc1)C(CCNC2CCCOC2)c3ccccc3 2230a_100000719290_100009813428 [0,0,0,0,0,1|2,0,0]=3 1004 B24R3.5791 c1ccc(cc1)C(CCNC2CCCOC2)c3ccccc3 270004a_100000272388_100000753404 [0,0,0,0,0,1|2,0,0]=3 1005 B24R3.5791 c1ccc(cc1)C(CCNC2CCCOC2)c3ccccc3 34a_100000272388_100000693364 [0,0,0,0,0,1|2,0,0]=3 1006 B24R3.5791 c1ccc(cc1)C(CCNC2CCCOC2)c3ccccc3 34a_100000719290_100009813428 [0,0,0,0,0,1|2,0,0]=3 1007 B24R3.5791 c1ccc(cc1)C(CCNC2CCCSC2)c3ccccc3 270004a_100000272388_100000057913 [0,0,0,0,0,1|2,0,0]=3 1008 B24R3.5791 c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3 270004a_100000272388_100015192401 [0,0,0,0,0,1|2,0,0]=3 1009 B24R3.5791 c1ccc(cc1)C(CCNC2CCOCC2)c3ccccc3 2230a_100000741149_100009813428 [0,0,0,0,0,1|2,0,0]=3 1010 B24R3.5791 c1ccc(cc1)C(CCNC2CCOCC2)c3ccccc3 270004a_100000272388_100011217826 [0,0,0,0,0,1|2,0,0]=3 1011 B24R3.5791 c1ccc(cc1)C(CCNC2CCOCC2)c3ccccc3 34a_100000741149_100009813428 [0,0,0,0,0,1|2,0,0]=3 1012 B24R3.5791 c1ccc(cc1)C(CCNC2CCSCC2)c3ccccc3 2230a_100000748639_100009813428 [0,0,0,0,0,1|2,0,0]=3 1013 B24R3.5791 c1ccc(cc1)C(CCNC2CCSCC2)c3ccccc3 270004a_100000272388_100000203788 [0,0,0,0,0,1|2,0,0]=3 1014 B24R3.5791 c1ccc(cc1)C(CCNC2CCSCC2)c3ccccc3 34a_100000272388_100000069128 [0,0,0,0,0,1|2,0,0]=3 1015 B24R3.5791 c1ccc(cc1)C(CCNC2CCSCC2)c3ccccc3 34a_100000748639_100009813428 [0,0,0,0,0,1|2,0,0]=3 1016 B24R3.5791 c1ccc(cc1)C(CCOC2CCCCO2)c3ccccc3 34a_100000033831_100009813428 [0,0,0,0,0,1|2,0,0]=3 1017 B24R3.5791 c1ccc(cc1)C(CCOC2CCCOC2)c3ccccc3 34a_100000032380_100000693364 [0,0,0,0,0,1|2,0,0]=3 1018 B24R3.5791 c1ccc(cc1)C(CCOC2CCCOC2)c3ccccc3 34a_100000754041_100009813428 [0,0,0,0,0,1|2,0,0]=3 1019 B24R3.5791 c1ccc(cc1)C(CCOC2CCCOC2)c3ccccc3 7a_100000032380_100000693364 [0,0,0,0,0,1|2,0,0]=3 1020 B24R3.5791 c1ccc(cc1)C(CCOC2CCOCC2)c3ccccc3 34a_100000744328_100009813428 [0,0,0,0,0,1|2,0,0]=3 1021 B24R3.5791 c1ccc(cc1)C(CCOC2CCOCC2)c3ccccc3 7a_100000032380_100000686592 [0,0,0,0,0,1|2,0,0]=3 1022 B24R3.5791 c1ccc(cc1)C(CNCC2CCCCC2)c3ccccc3 2230a_100000739227_100000211423 [0,0,0,0,0,1|1,0,0]=2 1023 B24R3.5791 c1ccc(cc1)C(CNCC2CCCCC2)c3ccccc3 269862a_100000739227_100000211278 [0,0,0,0,0,1|1,0,0]=2 1024 B24R3.5791 c1ccc(cc1)C(CNCC2CCCCC2)c3ccccc3 34a_100000739227_100000211423 [0,0,0,0,0,1|1,0,0]=2 1025 B24R3.5791 c1ccc(cc1)C(CNCC2CCCCO2)c3ccccc3 2230a_100000739227_100000211543 [0,0,0,0,0,1|2,0,0]=3 1026 B24R3.5791 c1ccc(cc1)C(CNCC2CCCCO2)c3ccccc3 34a_100000739227_100000211543 [0,0,0,0,0,1|2,0,0]=3 1027 B24R3.5791 c1ccc(cc1)C(CNCC2CCCOC2)c3ccccc3 2230a_100000739227_100000741521 [0,0,0,0,0,1|2,0,0]=3 1028 B24R3.5791 c1ccc(cc1)C(CNCC2CCCOC2)c3ccccc3 34a_100000739227_100000741521 [0,0,0,0,0,1|2,0,0]=3 1029 B24R3.5791 c1ccc(cc1)C(CNCC2CCOCC2)c3ccccc3 2230a_100000739227_100000754603 [0,0,0,0,0,1|2,0,0]=3 1030 B24R3.5791 c1ccc(cc1)C(CNCC2CCOCC2)c3ccccc3 269862a_100000739227_100000749017 [0,0,0,0,0,1|2,0,0]=3 1031 B24R3.5791 c1ccc(cc1)C(CNCC2CCOCC2)c3ccccc3 34a_100000739227_100000754603 [0,0,0,0,0,1|2,0,0]=3 1032 B24R3.5791 c1ccc(cc1)C(CNCC2CCSCC2)c3ccccc3 269862a_100000739227_100000067145 [0,0,0,0,0,1|2,0,0]=3 1033 B24R3.5791 c1ccc(cc1)C(CNCC2CCSCC2)c3ccccc3 270004a_100000739227_100000067145 [0,0,0,0,0,1|2,0,0]=3 1034 B24R3.5791 c1ccc(cc1)C(COCC2CCCCO2)c3ccccc3 34a_100011215272_100000211543 [0,0,0,0,0,1|2,0,0]=3 1035 B24R3.5791 c1ccc(cc1)C(COCC2CCCCO2)c3ccccc3 7a_100011215272_100000211543 [0,0,0,0,0,1|2,0,0]=3 1036 B24R3.5791 c1ccc(cc1)C(COCC2CCCOC2)c3ccccc3 34a_100011215272_100000741521 [0,0,0,0,0,1|2,0,0]=3 1037 B24R3.5791 c1ccc(cc1)C(COCC2CCCOC2)c3ccccc3 7a_100011215272_100000741521 [0,0,0,0,0,1|2,0,0]=3 1038 B24R3.5791 c1ccc(cc1)C(COCC2CCOCC2)c3ccccc3 34a_100011215272_100000754603 [0,0,0,0,0,1|2,0,0]=3 1039 B24R3.5791 c1ccc(cc1)C(COCC2CCOCC2)c3ccccc3 7a_100011215272_100000754603 [0,0,0,0,0,1|2,0,0]=3 1040 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCC2)c3ccccn3 2230a_100000689936_100012355289 [0,0,0,0,0,1|2,0,0]=3 1041 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCC2)c3ccccn3 270004a_100000689936_100011713444 [0,0,0,0,0,1|2,0,0]=3 1042 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCC2)c3ccccn3 270004a_100000738074_100000210380 [0,0,0,0,0,1|2,0,0]=3 1043 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCC2)c3cccnc3 2230a_100011232609_100012355289 [0,0,0,0,0,1|2,0,0]=3 1044 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCC2)c3cccnc3 270004a_100000738074_100000735413 [0,0,0,0,0,1|2,0,0]=3 1045 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCC2)c3cccnc3 270004a_100011232609_100011713444 [0,0,0,0,0,1|2,0,0]=3 1046 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCC2)c3ccncc3 2230a_100025760769_100012355289 [0,0,0,0,0,1|2,0,0]=3 1047 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCC2)c3ccncc3 270004a_100025760769_100011713444 [0,0,0,0,0,1|2,0,0]=3 1048 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCO2)c3ccccc3 2230a_100015183643_100000211591 [0,0,0,0,0,1|2,0,0]=3 1049 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100000210122 [0,0,0,0,0,1|2,0,0]=3 1050 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCO2)c3ccccn3 270004a_100015183643_100000210380 [0,0,0,0,0,1|3,0,0]=4 1051 B24R3.5791 c1ccc(cc1)C(NCCC2CCCCO2)c3cccnc3 270004a_100015183643_100000735413 [0,0,0,0,0,1|3,0,0]=4 1052 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000162943_100011934994 [0,0,0,0,0,1|2,0,0]=3 1053 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000755988_100000211591 [0,0,0,0,0,1|2,0,0]=3 1054 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100000210122 [0,0,0,0,0,1|2,0,0]=3 1055 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 34a_100000162943_100011934994 [0,0,0,0,0,1|2,0,0]=3 1056 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3ccccn3 2230a_100000689936_100011934994 [0,0,0,0,0,1|3,0,0]=4 1057 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3ccccn3 270004a_100000755988_100000210380 [0,0,0,0,0,1|3,0,0]=4 1058 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3cccnc3 2230a_100011232609_100011934994 [0,0,0,0,0,1|3,0,0]=4 1059 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3cccnc3 270004a_100000755988_100000735413 [0,0,0,0,0,1|3,0,0]=4 1060 B24R3.5791 c1ccc(cc1)C(NCCC2CCOCC2)c3ccncc3 2230a_100025760769_100011934994 [0,0,0,0,0,1|3,0,0]=4 1061 B24R3.5791 c1ccc(cc1)C(NCCC2OCCCO2)c3ccccc3 2230a_100000162943_100000764188 [0,0,0,0,0,1|3,0,0]=4 1062 B24R3.5791 c1ccc(cc1)C(NCCC2OCCCO2)c3ccccc3 34a_100000162943_100000764188 [0,0,0,0,0,1|3,0,0]=4 1063 B24R3.5791 c1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 2230a_100000162943_100000739454 [0,0,0,0,0,1|0,0,0]=1 1064 B24R3.5791 c1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100000210122 [0,0,0,0,0,1|0,0,0]=1 1065 B24R3.5791 c1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 34a_100000162943_100000739454 [0,0,0,0,0,1|0,0,0]=1 1066 B24R3.5791 c1ccc(cc1)C(NCCN2CCCCC2)c3ccccn3 2230a_100000689936_100000739454 [0,0,0,0,0,1|1,0,0]=2 1067 B24R3.5791 c1ccc(cc1)C(NCCN2CCCCC2)c3ccccn3 270004a_100000216509_100000210380 [0,0,0,0,0,1|1,0,0]=2 1068 B24R3.5791 c1ccc(cc1)C(NCCN2CCCCC2)c3cccnc3 2230a_100011232609_100000739454 [0,0,0,0,0,1|1,0,0]=2 1069 B24R3.5791 c1ccc(cc1)C(NCCN2CCCCC2)c3cccnc3 270004a_100000216509_100000735413 [0,0,0,0,0,1|1,0,0]=2 1070 B24R3.5791 c1ccc(cc1)C(NCCN2CCCCC2)c3ccncc3 2230a_100025760769_100000739454 [0,0,0,0,0,1|1,0,0]=2 1071 B24R3.5791 c1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 2230a_100000162943_100025781966 [0,0,0,0,0,1|1,0,0]=2 1072 B24R3.5791 c1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100000210122 [0,0,0,0,0,1|1,0,0]=2 1073 B24R3.5791 c1ccc(cc1)C(NCCN2CCOCC2)c3ccccn3 2230a_100000689936_100025781966 [0,0,0,0,0,1|2,0,0]=3 1074 B24R3.5791 c1ccc(cc1)C(NCCN2CCOCC2)c3ccccn3 270004a_100000211067_100000210380 [0,0,0,0,0,1|2,0,0]=3 1075 B24R3.5791 c1ccc(cc1)C(NCCN2CCOCC2)c3cccnc3 2230a_100011232609_100025781966 [0,0,0,0,0,1|2,0,0]=3 1076 B24R3.5791 c1ccc(cc1)C(NCCN2CCOCC2)c3cccnc3 270004a_100000211067_100000735413 [0,0,0,0,0,1|2,0,0]=3 1077 B24R3.5791 c1ccc(cc1)C(NCCN2CCOCC2)c3ccncc3 2230a_100025760769_100025781966 [0,0,0,0,0,1|2,0,0]=3 1078 B24R3.5791 c1ccc(cc1)C(NCCN2CCSCC2)c3ccccc3 2230a_100000755026_100000211591 [0,0,0,0,0,1|1,0,0]=2 1079 B24R3.5791 c1ccc(cc1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100000210122 [0,0,0,0,0,1|1,0,0]=2 1080 B24R3.5791 c1ccc(cc1)C(NCCN2CCSCC2)c3ccccn3 270004a_100000755026_100000210380 [0,0,0,0,0,1|2,0,0]=3 1081 B24R3.5791 c1ccc(cc1)C(NCCN2CCSCC2)c3cccnc3 270004a_100000755026_100000735413 [0,0,0,0,0,1|2,0,0]=3 1082 B24R3.5791 c1ccc(cc1)C(NCOC2CCCCC2)c3ccccc3 2230a_100000162943_100011935260 [0,0,0,0,0,1|2,0,0]=3 1083 B24R3.5791 c1ccc(cc1)C(NCOC2CCCCC2)c3ccccc3 34a_100000162943_100011935260 [0,0,0,0,0,1|2,0,0]=3 1084 B24R3.5791 c1ccc(cc1)C(NCOC2CCCCC2)c3ccccn3 2230a_100000689936_100011935260 [0,0,0,0,0,1|3,0,0]=4 1085 B24R3.5791 c1ccc(cc1)C(NCOC2CCCCC2)c3cccnc3 2230a_100011232609_100011935260 [0,0,0,0,0,1|3,0,0]=4 1086 B24R3.5791 c1ccc(cc1)C(NCOC2CCCCC2)c3ccncc3 2230a_100025760769_100011935260 [0,0,0,0,0,1|3,0,0]=4 1087 B24R3.5791 c1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 34a_100000211180_100011934994 [0,0,0,0,0,1|2,0,0]=3 1088 B24R3.5791 c1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 7a_100000211180_100011934994 [0,0,0,0,0,1|2,0,0]=3 1089 B24R3.5791 c1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 7a_100011933979_100011216954 [0,0,0,0,0,1|2,0,0]=3 1090 B24R3.5791 c1ccc(cc1)C(OCCC2CCOCC2)c3ccccn3 7a_100000180852_100011934994 [0,0,0,0,0,1|3,0,0]=4 1091 B24R3.5791 c1ccc(cc1)C(OCCC2OCCCO2)c3ccccc3 34a_100000211180_100000764188 [0,0,0,0,0,1|3,0,0]=4 1092 B24R3.5791 c1ccc(cc1)C(OCCC2OCCCO2)c3ccccc3 7a_100000211180_100000764188 [0,0,0,0,0,1|3,0,0]=4 1093 B24R3.5791 c1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 34a_100000211180_100000739454 [0,0,0,0,0,1|0,0,0]=1 1094 B24R3.5791 c1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 7a_100000211180_100000739454 [0,0,0,0,0,1|0,0,0]=1 1095 B24R3.5791 c1ccc(cc1)C(OCCN2CCCCC2)c3ccccn3 7a_100000180852_100000739454 [0,0,0,0,0,1|1,0,0]=2 1096 B24R3.5791 c1ccc(cc1)C(OCCN2CCCOC2)c3ccccc3 2230a_100000131196_100000734929 [0,0,0,0,0,1|1,0,0]=2 1097 B24R3.5791 c1ccc(cc1)C(OCCN2CCCOC2)c3ccccc3 269982a_100000131196_100000734929 [0,0,0,0,0,1|1,0,0]=2 1098 B24R3.5791 c1ccc(cc1)C(OCCN2CCCOC2)c3ccccc3 34a_100000131196_100000734929 [0,0,0,0,0,1|1,0,0]=2 1099 B24R3.5791 c1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 2230a_100015191051_100000734929 [0,0,0,0,0,1|1,0,0]=2 1100 B24R3.5791 c1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 269982a_100015191051_100000734929 [0,0,0,0,0,1|1,0,0]=2 1101 B24R3.5791 c1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 34a_100015191051_100000734929 [0,0,0,0,0,1|1,0,0]=2 1102 B24R3.5791 c1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 7a_100000211180_100000211760 [0,0,0,0,0,1|1,0,0]=2 1103 B24R3.5791 c1ccc(cc1)C(OCCN2CCOCC2)c3ccccn3 7a_100000180852_100000211760 [0,0,0,0,0,1|2,0,0]=3 1104 B24R3.5791 c1ccc(cc1)C(OCCN2CCSCC2)c3ccccc3 2230a_100000737611_100000734929 [0,0,0,0,0,1|1,0,0]=2 1105 B24R3.5791 c1ccc(cc1)C(OCCN2CCSCC2)c3ccccc3 269982a_100000737611_100000734929 [0,0,0,0,0,1|1,0,0]=2 1106 B24R3.5791 c1ccc(cc1)C(OCCN2CCSCC2)c3ccccc3 7a_100000686052_100011216954 [0,0,0,0,0,1|1,0,0]=2 1107 B24R3.5791 c1ccc(cc1)C(OCOC2CCCCC2)c3ccccn3 7a_100000180852_100011935260 [0,0,0,0,0,1|3,0,0]=4 1108 B24R3.5791 c1ccc(cc1)C(SCCC2OCCCO2)c3ccccc3 62a_100000211591_100000764188 [0,0,0,0,0,1|3,0,0]=4 1109 B24R3.5791 c1ccc(cc1)C(SCCC2OCCCO2)c3ccccc3 62a_100000764188_100011216954 [0,0,0,0,0,1|3,0,0]=4 1110 B24R3.5791 c1ccc(cc1)C(SCCN2CCOCC2)c3ccccc3 62a_100000211591_100000211760 [0,0,0,0,0,1|1,0,0]=2 1111 B24R3.5791 c1ccc(cc1)N(CCOC2CCCOC2)c3ccccc3 34a_100010001939_100000693364 [0,0,0,0,0,1|3,0,0]=4 1112 B24R3.5791 c1ccc(cc1)N(CCOC2CCCOC2)c3ccccc3 7a_100010001939_100000693364 [0,0,0,0,0,1|3,0,0]=4 1113 B24R3.5791 c1ccc(cc1)N(CCOC2CCOCC2)c3ccccc3 7a_100010001939_100000686592 [0,0,0,0,0,1|3,0,0]=4 1114 B24R3.5791 c1ccc(cc1)N(CCOC2CCSCC2)c3ccccc3 34a_100010001939_100000069128 [0,0,0,0,0,1|3,0,0]=4 1115 B24R3.5791 c1ccc(cc1)N(CCOC2CCSCC2)c3ccccc3 7a_100010001939_100011500858 [0,0,0,0,0,1|3,0,0]=4 1116 B24R3.5791 c1ccc(cc1)P(CCNC2CCCCC2)c3ccccc3 270004a_107094377242_100000210434 [0,0,0,0,0,1|2,0,0]=3 1117 B24R3.5791 c1ccc(cc1)P(CCNC2CCCCC2)c3ccccc3 34a_107094377242_100000210327 [0,0,0,0,0,1|2,0,0]=3 1118 B24R3.5791 c1ccc(cc1)P(CCNC2CCCOC2)c3ccccc3 270004a_107094377242_100000753404 [0,0,0,0,0,1|3,0,0]=4 1119 B24R3.5791 c1ccc(cc1)P(CCNC2CCCOC2)c3ccccc3 34a_107094377242_100000693364 [0,0,0,0,0,1|3,0,0]=4 1120 B24R3.5791 c1ccc(cc1)P(CCNC2CCCSC2)c3ccccc3 270004a_107094377242_100000057913 [0,0,0,0,0,1|3,0,0]=4 1121 B24R3.5791 c1ccc(cc1)P(CCNC2CCNCC2)c3ccccc3 270004a_107094377242_100015192401 [0,0,0,0,0,1|3,0,0]=4 1122 B24R3.5791 c1ccc(cc1)P(CCNC2CCOCC2)c3ccccc3 270004a_107094377242_100011217826 [0,0,0,0,0,1|3,0,0]=4 1123 B24R3.5791 c1ccc(cc1)P(CCNC2CCSCC2)c3ccccc3 270004a_107094377242_100000203788 [0,0,0,0,0,1|3,0,0]=4 1124 B24R3.5791 c1ccc(cc1)P(CCNC2CCSCC2)c3ccccc3 34a_107094377242_100000069128 [0,0,0,0,0,1|3,0,0]=4 1125 B24R3.5791 c1ccc(cc1)[S+](CCNC2CCCCC2)c3ccccc3 2230a_100000182618_100010140906 [0,0,0,0,0,1|2,0,0]=3 1126 B24R3.5791 c1ccc(cc1)[S+](CCNC2CCCOC2)c3ccccc3 2230a_100000719290_100010140906 [0,0,0,0,0,1|3,0,0]=4 1127 B24R3.5791 c1ccc(cc1)[S+](CCNC2CCOCC2)c3ccccc3 2230a_100000741149_100010140906 [0,0,0,0,0,1|3,0,0]=4 1128 B24R3.5791 c1ccc(cc1)[S+](CCNC2CCSCC2)c3ccccc3 2230a_100000748639_100010140906 [0,0,0,0,0,1|3,0,0]=4 1129 B24R3.5791 c1ccc(cc1)[S+](CCOC2CCCSC2)c3ccccc3 7a_100015962668_100010140906 [0,0,0,0,0,1|3,0,0]=4 1130 B24R3.5791 c1ccc(cc1)[S+](CCOC2CCSCC2)c3ccccc3 7a_100000731022_100010140906 [0,0,0,0,0,1|3,0,0]=4 1131 B24R3.5791 c1ccc(cc1)[S+](CCSC2CCCOC2)c3ccccc3 62a_100010140906_100000693364 [0,0,0,0,0,1|3,0,0]=4 1132 B24R3.5791 c1ccc(cc1)[S+](CCSC2CCOCC2)c3ccccc3 62a_100010140906_100011324220 [0,0,0,0,0,1|3,0,0]=4 1133 B24R3.5791 c1ccc(nc1)C(NCCC2CCCCC2)c3ccccn3 270004a_100009954364_100011713444 [0,0,0,0,0,1|3,0,0]=4 1134 B24R3.5791 c1ccc(nc1)C(NCCC2CCCCC2)c3cccnc3 270004a_100000738074_100011376182 [0,0,0,0,0,1|3,0,0]=4 1135 B24R3.5791 c1ccc(nc1)C(NCCN2CCCCC2)c3cccnc3 270004a_100000216509_100011376182 [0,0,0,0,0,1|2,0,0]=3 1136 B24R3.5791 c1ccc(nc1)C(NCCN2CCOCC2)c3cccnc3 270004a_100000211067_100011376182 [0,0,0,0,0,1|3,0,0]=4 1137 B24R3.5791 c1ccc(nc1)C(NCCN2CCSCC2)c3cccnc3 270004a_100000755026_100011376182 [0,0,0,0,0,1|3,0,0]=4 1138 B24R3.5791 c1cncc(c1)C(NCCC2CCCCC2)c3cccnc3 270004a_100000738074_200011376183 [0,0,0,0,0,1|3,0,0]=4 1139 B24R3.5791 c1cncc(c1)C(NCCN2CCCCC2)c3cccnc3 270004a_100000216509_200011376183 [0,0,0,0,0,1|2,0,0]=3 1140 B24R3.5791 c1cncc(c1)C(NCCN2CCCCC2)c3cnccn3 270004a_100000216509_100000732570 [0,0,0,0,0,1|3,0,0]=4 1141 B24R3.5791 c1cncc(c1)C(NCCN2CCOCC2)c3cccnc3 270004a_100000211067_200011376183 [0,0,0,0,0,1|3,0,0]=4 1142 B24R3.5791 c1cncc(c1)C(NCCN2CCSCC2)c3cccnc3 270004a_100000755026_200011376183 [0,0,0,0,0,1|3,0,0]=4 1143 B24R3.3681135 C(=C(c1ccccc1)c2ccccc2)CN3CCCCCC3 270004a_100000185865_100000050448 [0,0,0,0,0,1|0,0,2]=3 1144 B24R3.3681135 C(=C(c1ccccc1)c2ccccc2)CN3CCCOCC3 270004a_100000685342_100000050448 [0,0,0,0,0,1|0,0,2]=3 1145 B24R3.3681135 c1ccc(cc1)C(CCN2CCCOCC2)c3ccccc3 2230a_100000685342_100009813428 [0,0,0,0,0,1|0,0,0]=1 1146 B24R3.3681135 c1ccc(cc1)C(CCN2CCCOCC2)c3ccccc3 269982a_100000685342_100009813428 [0,0,0,0,0,1|0,0,0]=1 1147 B24R3.3681135 c1ccc(cc1)C(CCN2CCCOCC2)c3ccccc3 34a_100000685342_100009813428 [0,0,0,0,0,1|0,0,0]=1 1148 B24R3.3681135 c1ccc(cc1)C(CNC2CCCNCC2)c3ccccc3 270004a_100000739227_100015187895 [0,0,0,0,0,1|2,0,0]=3 1149 B24R3.3681135 c1ccc(cc1)C(CNC2CSCCSC2)c3ccccc3 270004a_100000739227_100000068409 [0,0,0,0,0,1|3,0,0]=4 1150 B24R3.3681135 c1ccc(cc1)C(NCC2CCCCCC2)c3ccccn3 2230a_100000689936_200000696569 [0,0,0,0,0,1|3,0,0]=4 1151 B24R3.3681135 c1ccc(cc1)C(NCC2CCCCCC2)c3ccccn3 269862a_100000689936_200000763224 [0,0,0,0,0,1|3,0,0]=4 1152 B24R3.3681135 c1ccc(cc1)C(NCC2CCCCCC2)c3ccccn3 270004a_100015204231_100000210380 [0,0,0,0,0,1|3,0,0]=4 1153 B24R3.3681135 c1ccc(cc1)C(NCC2CCCCCC2)c3cccnc3 2230a_100011232609_200000696569 [0,0,0,0,0,1|3,0,0]=4 1154 B24R3.3681135 c1ccc(cc1)C(NCC2CCCCCC2)c3cccnc3 270004a_100015204231_100000735413 [0,0,0,0,0,1|3,0,0]=4 1155 B24R3.3681135 c1ccc(cc1)C(NCC2CCCCCC2)c3ccncc3 2230a_100025760769_200000696569 [0,0,0,0,0,1|3,0,0]=4 1156 B24R3.3681135 c1ccc(cc1)C(NCC2CCCCCC2)c3ccncc3 269862a_100025760769_200000763224 [0,0,0,0,0,1|3,0,0]=4 1157 B24R3.3681135 c1ccc(cc1)[S+](CCN2CCCCCC2)c3ccccc3 2230a_100000185865_100010140906 [0,0,0,0,0,1|1,0,0]=2 1158 B24R3.3681135 c1ccc(cc1)[S+](CCN2CCCCCC2)c3ccccc3 269982a_100000185865_100010140906 [0,0,0,0,0,1|1,0,0]=2 1159 B24R3.3681135 c1ccc(cc1)[S+](CCN2CCCOCC2)c3ccccc3 2230a_100000685342_100010140906 [0,0,0,0,0,1|1,0,0]=2 1160 B24R3.3681135 c1ccc(cc1)[S+](CCN2CCCOCC2)c3ccccc3 269982a_100000685342_100010140906 [0,0,0,0,0,1|1,0,0]=2 1161 B21R2.2905 C#CCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000731252 [1,0,1,0,0,0|0,0,2]=4 1162 B21R2.2905 C#CCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000695029 [1,0,1,0,0,0|0,0,2]=4 1163 B21R2.2905 C#CCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000688953 [1,0,1,0,0,0|0,0,2]=4 1164 B21R2.2905 C#CCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000688953 [1,0,1,0,0,0|0,0,2]=4 1165 B21R2.2905 C#CCCNCCC(c1ccccc1)c2ccccc2 34a_100000755551_100009813428 [1,0,1,0,0,0|0,0,2]=4 1166 B21R2.2905 C/C=C/CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100102629194 [1,0,1,0,0,0|0,0,2]=4 1167 B21R2.2905 C=CCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011713584 [1,0,1,0,0,0|0,0,2]=4 1168 B21R2.2905 C=CCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000757094 [1,0,1,0,0,0|0,0,2]=4 1169 B21R2.2905 C=CCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000754431 [1,0,1,0,0,0|0,0,2]=4 1170 B21R2.2905 C=CCCNCCC(c1ccccc1)c2ccccc2 2230a_100015191253_100009813428 [1,0,1,0,0,0|0,0,2]=4 1171 B21R2.2905 C=CCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000754431 [1,0,1,0,0,0|0,0,2]=4 1172 B21R2.2905 CC#CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000748600 [1,0,1,0,0,0|0,0,2]=4 1173 B21R2.2905 CC#CCNCCC(c1ccccc1)c2ccccc2 2230a_100000685387_100009813428 [1,0,1,0,0,0|0,0,2]=4 1174 B21R2.2905 CC#CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000748600 [1,0,1,0,0,0|0,0,2]=4 1175 B21R2.2905 CC#CCNCCC(c1ccccc1)c2ccccc2 34a_100000685387_100009813428 [1,0,1,0,0,0|0,0,2]=4 1176 B21R2.2905 CC/C=C\CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100103147603 [1,0,1,0,0,0|0,0,2]=4 1177 B21R2.2905 CC/C=C\CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100103147603 [1,0,1,0,0,0|0,0,2]=4 1178 B21R2.2905 CC=CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000070051 [1,0,1,0,0,0|0,0,2]=4 1179 B21R2.2905 CC=CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000070051 [1,0,1,0,0,0|0,0,2]=4 1180 B21R2.2905 CCC#CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100009813939 [1,0,1,0,0,0|0,0,2]=4 1181 B21R2.2905 CCC#CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100009813939 [1,0,1,0,0,0|0,0,2]=4 1182 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210314 [1,0,1,0,0,0|1,0,0]=3 1183 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000210581_100000211591 [1,0,1,0,0,0|1,0,0]=3 1184 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccc2 270004a_100000210581_100000210122 [1,0,1,0,0,0|1,0,0]=3 1185 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210314 [1,0,1,0,0,0|1,0,0]=3 1186 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210314 [1,0,1,0,0,0|2,0,0]=4 1187 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccccn2 270004a_100000210581_100000210380 [1,0,1,0,0,0|2,0,0]=4 1188 B21R2.2905 CCCCCCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210314 [1,0,1,0,0,0|2,0,0]=4 1189 B21R2.2905 CCCCCCNC(c1ccccc1)c2cccnc2 270004a_100000210581_100000735413 [1,0,1,0,0,0|2,0,0]=4 1190 B21R2.2905 CCCCCCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210314 [1,0,1,0,0,0|2,0,0]=4 1191 B21R2.2905 CCCCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210314 [1,0,1,0,0,0|2,0,0]=4 1192 B21R2.2905 CCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210326 [1,0,1,0,0,0|0,0,0]=2 1193 B21R2.2905 CCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000718602 [1,0,1,0,0,0|0,0,0]=2 1194 B21R2.2905 CCCCNCC=C(c1ccccc1)c2ccccc2 270004a_100000102301_100000050448 [1,0,1,0,0,0|0,0,2]=4 1195 B21R2.2905 CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000102301_100009813428 [1,0,1,0,0,0|0,0,0]=2 1196 B21R2.2905 CCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210211 [1,0,1,0,0,0|0,0,0]=2 1197 B21R2.2905 CCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210210 [1,0,1,0,0,0|0,0,0]=2 1198 B21R2.2905 CCCCNCCC(c1ccccc1)c2ccccc2 7a_106832991798_100009813428 [1,0,1,0,0,0|0,0,0]=2 1199 B21R2.2905 CCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210211 [1,0,1,0,0,0|1,0,0]=3 1200 B21R2.2905 CCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210210 [1,0,1,0,0,0|1,0,0]=3 1201 B21R2.2905 CCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000102301_100010140906 [1,0,1,0,0,0|1,0,0]=3 1202 B21R2.2905 CCCCNCC[S+](c1ccccc1)c2ccccc2 7a_106832991798_100010140906 [1,0,1,0,0,0|1,0,0]=3 1203 B21R2.2905 CCCCNN=CC(c1ccccc1)c2ccccc2 4a_100025702795_100000183636 [1,0,1,0,0,0|1,0,1]=4 1204 B21R2.2905 CCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000210210 [1,0,1,0,0,0|2,0,0]=4 1205 B21R2.2905 CCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000210211 [1,0,1,0,0,0|2,0,0]=4 1206 B21R2.2905 CCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000210227_100010140906 [1,0,1,0,0,0|2,0,0]=4 1207 B21R2.2905 CCCCOCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011995733 [1,0,1,0,0,0|2,0,0]=4 1208 B21R2.2905 CCCCOCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011995733 [1,0,1,0,0,0|2,0,0]=4 1209 B21R2.2905 CCCCOCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011995733 [1,0,1,0,0,0|2,0,0]=4 1210 B21R2.2905 CCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000210303 [1,0,1,0,0,0|2,0,0]=4 1211 B21R2.2905 CCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000210303 [1,0,1,0,0,0|2,0,0]=4 1212 B21R2.2905 CCCOCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215938 [1,0,1,0,0,0|2,0,0]=4 1213 B21R2.2905 CCCOCCNC(c1ccccc1)c2ccccc2 2230a_100161115042_100000211591 [1,0,1,0,0,0|2,0,0]=4 1214 B21R2.2905 CCCOCCNC(c1ccccc1)c2ccccc2 270004a_100161115042_100000210122 [1,0,1,0,0,0|2,0,0]=4 1215 B21R2.2905 CCCOCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011215938 [1,0,1,0,0,0|2,0,0]=4 1216 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccc2 34a_100000210258_100000734929 [1,0,1,0,0,0|2,0,0]=4 1217 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011215938 [1,0,1,0,0,0|2,0,0]=4 1218 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215938 [1,0,1,0,0,0|2,0,0]=4 1219 B21R2.2905 CCCOCCOC(c1ccccc1)c2ccccc2 7a_100000752267_100011216954 [1,0,1,0,0,0|2,0,0]=4 1220 B21R2.2905 CCCOCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215938 [1,0,1,0,0,0|2,0,0]=4 1221 B21R2.2905 CCCOCCSC(c1ccccc1)c2ccccc2 62a_100011215938_100011216954 [1,0,1,0,0,0|2,0,0]=4 1222 B21R2.2905 CCCSCCNC(c1ccccc1)c2ccccc2 2230a_100020603323_100000211591 [1,0,1,0,0,0|2,0,0]=4 1223 B21R2.2905 CCCSCCNC(c1ccccc1)c2ccccc2 270004a_100020603323_100000210122 [1,0,1,0,0,0|2,0,0]=4 1224 B21R2.2905 CCCSCCOC(c1ccccc1)c2ccccc2 62a_100000210303_100000734929 [1,0,1,0,0,0|2,0,0]=4 1225 B21R2.2905 CCCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000210303 [1,0,1,0,0,0|2,0,0]=4 1226 B21R2.2905 CCCSCCOC(c1ccccc1)c2ccccc2 7a_200000230433_100011216954 [1,0,1,0,0,0|2,0,0]=4 1227 B21R2.2905 CCOCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100012232248 [1,0,1,0,0,0|2,0,0]=4 1228 B21R2.2905 CCOCCCNC(c1ccccc1)c2ccccc2 2230a_100000210961_100000211591 [1,0,1,0,0,0|2,0,0]=4 1229 B21R2.2905 CCOCCCNC(c1ccccc1)c2ccccc2 270004a_100000210961_100000210122 [1,0,1,0,0,0|2,0,0]=4 1230 B21R2.2905 CCOCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100012232248 [1,0,1,0,0,0|2,0,0]=4 1231 B21R2.2905 CCOCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100012232248 [1,0,1,0,0,0|2,0,0]=4 1232 B21R2.2905 CCOCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100012232248 [1,0,1,0,0,0|2,0,0]=4 1233 B21R2.2905 CCOCCCOC(c1ccccc1)c2ccccc2 7a_100000757476_100011216954 [1,0,1,0,0,0|2,0,0]=4 1234 B21R2.2905 CCOCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100012232248 [1,0,1,0,0,0|2,0,0]=4 1235 B21R2.2905 CCOCCCSC(c1ccccc1)c2ccccc2 62a_100012232248_100011216954 [1,0,1,0,0,0|2,0,0]=4 1236 B21R2.2905 CCOCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011215890 [1,0,1,0,0,0|1,0,0]=3 1237 B21R2.2905 CCOCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210147 [1,0,1,0,0,0|1,0,0]=3 1238 B21R2.2905 CCOCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210147 [1,0,1,0,0,0|2,0,0]=4 1239 B21R2.2905 CCOCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100011215890 [1,0,1,0,0,0|2,0,0]=4 1240 B21R2.2905 CCOCSCCC(c1ccccc1)c2ccccc2 62a_100000739092_100009813428 [1,0,1,0,0,0|2,0,0]=4 1241 B21R2.2905 CCOCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000739092 [1,0,1,0,0,0|2,0,0]=4 1242 B21R2.2905 CCSCCCOC(c1ccccc1)c2ccccc2 7a_100011216438_100011216954 [1,0,1,0,0,0|2,0,0]=4 1243 B21R2.2905 CCSCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000757381 [1,0,1,0,0,0|1,0,0]=3 1244 B21R2.2905 CCSCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000757381 [1,0,1,0,0,0|1,0,0]=3 1245 B21R2.2905 CCSCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000757381 [1,0,1,0,0,0|2,0,0]=4 1246 B21R2.2905 CCSCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000757381 [1,0,1,0,0,0|2,0,0]=4 1247 B21R2.2905 COCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000730899 [1,0,1,0,0,0|2,0,0]=4 1248 B21R2.2905 COCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000755781 [1,0,1,0,0,0|2,0,0]=4 1249 B21R2.2905 COCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000755781 [1,0,1,0,0,0|2,0,0]=4 1250 B21R2.2905 COCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000730899 [1,0,1,0,0,0|2,0,0]=4 1251 B21R2.2905 COCCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000730899 [1,0,1,0,0,0|2,0,0]=4 1252 B21R2.2905 COCCCCSC(c1ccccc1)c2ccccc2 62a_100000730899_100011216954 [1,0,1,0,0,0|2,0,0]=4 1253 B21R2.2905 COCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000740836 [1,0,1,0,0,0|1,0,0]=3 1254 B21R2.2905 COCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000740836 [1,0,1,0,0,0|1,0,0]=3 1255 B21R2.2905 COCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000740836 [1,0,1,0,0,0|2,0,0]=4 1256 B21R2.2905 COCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000740836 [1,0,1,0,0,0|2,0,0]=4 1257 B21R2.2905 COCCNCCC(c1ccccc1)c2ccccc2 2230a_100000209980_100009813428 [1,0,1,0,0,0|1,0,0]=3 1258 B21R2.2905 COCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011201679 [1,0,1,0,0,0|1,0,0]=3 1259 B21R2.2905 COCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011201679 [1,0,1,0,0,0|1,0,0]=3 1260 B21R2.2905 COCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011201679 [1,0,1,0,0,0|2,0,0]=4 1261 B21R2.2905 COCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011201679 [1,0,1,0,0,0|2,0,0]=4 1262 B21R2.2905 COCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000209980_100010140906 [1,0,1,0,0,0|2,0,0]=4 1263 B21R2.2905 COCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011201679 [1,0,1,0,0,0|2,0,0]=4 1264 B21R2.2905 COCCOCCC(c1ccccc1)c2ccccc2 34a_100000210237_100009813428 [1,0,1,0,0,0|2,0,0]=4 1265 B21R2.2905 COCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000233755 [1,0,1,0,0,0|2,0,0]=4 1266 B21R2.2905 COCCSCCC(c1ccccc1)c2ccccc2 62a_100000233755_100009813428 [1,0,1,0,0,0|2,0,0]=4 1267 B21R2.2905 COCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000233755 [1,0,1,0,0,0|2,0,0]=4 1268 B21R2.2905 CSCCCCOC(c1ccccc1)c2ccccc2 7a_100011217163_100011216954 [1,0,1,0,0,0|2,0,0]=4 1269 B21R2.2905 CSCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000751147 [1,0,1,0,0,0|1,0,0]=3 1270 B21R2.2905 CSCCNCCC(c1ccccc1)c2ccccc2 2230a_100020590264_100009813428 [1,0,1,0,0,0|1,0,0]=3 1271 B21R2.2905 CSCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000212216 [1,0,1,0,0,0|1,0,0]=3 1272 B21R2.2905 CSCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000751147 [1,0,1,0,0,0|2,0,0]=4 1273 B21R2.2905 CSCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000212216 [1,0,1,0,0,0|2,0,0]=4 1274 B21R2.2905 CSCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100020590264_100010140906 [1,0,1,0,0,0|2,0,0]=4 1275 B21R2.2905 CSCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000212216 [1,0,1,0,0,0|2,0,0]=4 1276 B21R2.2905 CSCCOCCC(c1ccccc1)c2ccccc2 34a_100000230434_100009813428 [1,0,1,0,0,0|2,0,0]=4 1277 B21R2.2905 CSCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000212216 [1,0,1,0,0,0|2,0,0]=4 1278 B21R2.2905 CSCCOCCC(c1ccccc1)c2ccccc2 7a_100000230434_100009813428 [1,0,1,0,0,0|2,0,0]=4 1279 B21R2.2905 ClCCCOCCC(c1ccccc1)c2ccccc2 34a_100000230001_100009813428 [1,0,1,0,0,0|2,0,0]=4 1280 B21R2.2905 FCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000729378 [1,0,1,0,0,0|2,0,0]=4 1281 B21R2.2905 FCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000729378 [1,0,1,0,0,0|2,0,0]=4 1282 B21R2.2905 FCCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000729378 [1,0,1,0,0,0|2,0,0]=4 1283 B21R2.2905 FCCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000729378 [1,0,1,0,0,0|2,0,0]=4 1284 B21R2.2905 FCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000729493 [1,0,1,0,0,0|1,0,0]=3 1285 B21R2.2905 FCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000729493 [1,0,1,0,0,0|1,0,0]=3 1286 B21R2.2905 FCCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000729493 [1,0,1,0,0,0|2,0,0]=4 1287 B21R2.2905 FCCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000729493 [1,0,1,0,0,0|2,0,0]=4 1288 B21R2.2905 FCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011934791 [1,0,1,0,0,0|1,0,0]=3 1289 B21R2.2905 FCCCNCCC(c1ccccc1)c2ccccc2 2230a_100015189416_100009813428 [1,0,1,0,0,0|1,0,0]=3 1290 B21R2.2905 FCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011934791 [1,0,1,0,0,0|1,0,0]=3 1291 B21R2.2905 FCCCNCCC(c1ccccc1)c2ccccc2 34a_100015189416_100009813428 [1,0,1,0,0,0|1,0,0]=3 1292 B21R2.2905 FCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011934791 [1,0,1,0,0,0|2,0,0]=4 1293 B21R2.2905 FCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011934791 [1,0,1,0,0,0|2,0,0]=4 1294 B21R2.2905 FCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100015189416_100010140906 [1,0,1,0,0,0|2,0,0]=4 1295 B21R2.2905 FCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011934791 [1,0,1,0,0,0|2,0,0]=4 1296 B21R2.2905 FCCCOCCC(c1ccccc1)c2ccccc2 34a_100000759539_100009813428 [1,0,1,0,0,0|2,0,0]=4 1297 B21R2.2905 FCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011934791 [1,0,1,0,0,0|2,0,0]=4 1298 B21R2.2905 N#CCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000687738 [1,0,1,0,0,0|1,0,1]=4 1299 B21R2.2905 N#CCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011215226 [1,0,1,0,0,0|1,0,1]=4 1300 B21R2.2905 NCCCOCCC(c1ccccc1)c2ccccc2 34a_100000182051_100009813428 [1,0,1,0,0,0|2,0,0]=4 1301 B21R2.2905 O=CCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_200011292268 [1,0,1,0,0,0|1,0,1]=4 1302 B21R2.2905 OCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000746330 [1,0,1,0,0,0|2,0,0]=4 1303 B21R2.2905 OCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000762737_100000211591 [1,0,1,0,0,0|2,0,0]=4 1304 B21R2.2905 OCCCCCNC(c1ccccc1)c2ccccc2 270004a_100000762737_100000210122 [1,0,1,0,0,0|2,0,0]=4 1305 B21R2.2905 OCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000746330 [1,0,1,0,0,0|2,0,0]=4 1306 B21R2.2905 OCCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000746330 [1,0,1,0,0,0|2,0,0]=4 1307 B21R2.2905 OCCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000746330 [1,0,1,0,0,0|2,0,0]=4 1308 B21R2.2905 OCCCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000746330 [1,0,1,0,0,0|2,0,0]=4 1309 B21R2.2905 OCCCCCSC(c1ccccc1)c2ccccc2 62a_100000746330_100011216954 [1,0,1,0,0,0|2,0,0]=4 1310 B21R2.2905 OCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210776 [1,0,1,0,0,0|1,0,0]=3 1311 B21R2.2905 OCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011216708 [1,0,1,0,0,0|1,0,0]=3 1312 B21R2.2905 OCCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011216708 [1,0,1,0,0,0|2,0,0]=4 1313 B21R2.2905 OCCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210776 [1,0,1,0,0,0|2,0,0]=4 1314 B21R2.2905 OCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000230001 [1,0,1,0,0,0|1,0,0]=3 1315 B21R2.2905 OCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000230001 [1,0,1,0,0,0|1,0,0]=3 1316 B21R2.2905 OCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000230001 [1,0,1,0,0,0|2,0,0]=4 1317 B21R2.2905 OCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000230001 [1,0,1,0,0,0|2,0,0]=4 1318 B21R2.2905 OCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000230001 [1,0,1,0,0,0|2,0,0]=4 1319 B21R2.2905 OCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215043 [1,0,1,0,0,0|2,0,0]=4 1320 B21R2.2905 OCCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100011215043 [1,0,1,0,0,0|2,0,0]=4 1321 B21R2.2905 OCCCSCCC(c1ccccc1)c2ccccc2 62a_100011215043_100009813428 [1,0,1,0,0,0|2,0,0]=4 1322 B21R2.541 C#CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000225692_100009813428 [1,0,1,0,0,0|0,0,2]=4 1323 B21R2.541 C#CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000038162 [1,0,1,0,0,0|0,0,2]=4 1324 B21R2.541 C#CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100000225692_100009813428 [1,0,1,0,0,0|0,0,2]=4 1325 B21R2.541 C#CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000184674 [1,0,1,0,0,0|0,0,2]=4 1326 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000225617_100009813428 [1,0,1,0,0,0|0,0,2]=4 1327 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210623 [1,0,1,0,0,0|0,0,2]=4 1328 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000225617_100009813428 [1,0,1,0,0,0|0,0,2]=4 1329 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210623 [1,0,1,0,0,0|0,0,2]=4 1330 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100015514636 [1,0,1,0,0,0|0,0,2]=4 1331 B21R2.541 CCCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000211992_100009813428 [1,0,1,0,0,0|2,0,0]=4 1332 B21R2.541 CCCC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011216630 [1,0,1,0,0,0|2,0,0]=4 1333 B21R2.541 CCCC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000243154 [1,0,1,0,0,0|2,0,0]=4 1334 B21R2.541 CCCC(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011216630 [1,0,1,0,0,0|2,0,0]=4 1335 B21R2.541 CCCC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000766640 [1,0,1,0,0,0|2,0,0]=4 1336 B21R2.541 CCCC(C)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000211909 [1,0,1,0,0,0|2,0,0]=4 1337 B21R2.541 CCCC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100000766640 [1,0,1,0,0,0|2,0,0]=4 1338 B21R2.541 CCCN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100000747261_100000050448 [1,0,1,0,0,0|0,0,2]=4 1339 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000747261_100009813428 [1,0,1,0,0,0|0,0,0]=2 1340 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210303 [1,0,1,0,0,0|0,0,0]=2 1341 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000747261_100009813428 [1,0,1,0,0,0|0,0,0]=2 1342 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210303 [1,0,1,0,0,0|0,0,0]=2 1343 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210303 [1,0,1,0,0,0|0,0,0]=2 1344 B21R2.541 CCCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000747261_100010140906 [1,0,1,0,0,0|1,0,0]=3 1345 B21R2.541 CCCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000747261_100010140906 [1,0,1,0,0,0|1,0,0]=3 1346 B21R2.541 CN(CC#N)CCC(c1ccccc1)c2ccccc2 2230a_100000748184_100009813428 [1,0,1,0,0,0|1,0,1]=4 1347 B21R2.541 CN(CC#N)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011215382 [1,0,1,0,0,0|1,0,1]=4 1348 B21R2.541 CN(CC#N)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011214920 [1,0,1,0,0,0|1,0,1]=4 1349 B21R2.541 CN(CC=O)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200015260668 [1,0,1,0,0,0|1,0,1]=4 1350 B21R2.541 CN(CC=O)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200015260668 [1,0,1,0,0,0|1,0,1]=4 1351 B21R2.541 CN(CC=O)CCC(c1ccccc1)c2ccccc2 34a_100025726140_200009817547 [1,0,1,0,0,0|1,0,1]=4 1352 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011217306 [1,0,1,0,0,0|1,0,0]=3 1353 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011217306 [1,0,1,0,0,0|1,0,0]=3 1354 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011217306 [1,0,1,0,0,0|1,0,0]=3 1355 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100000210263_100009813428 [1,0,1,0,0,0|1,0,0]=3 1356 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000211926 [1,0,1,0,0,0|1,0,0]=3 1357 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100000210263_100009813428 [1,0,1,0,0,0|1,0,0]=3 1358 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000211926 [1,0,1,0,0,0|1,0,0]=3 1359 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000211926 [1,0,1,0,0,0|1,0,0]=3 1360 B21R2.541 CN(CCO)CC[S+](c1ccccc1)c2ccccc2 2230a_100000210263_100010140906 [1,0,1,0,0,0|2,0,0]=4 1361 B21R2.541 CN(CCO)CC[S+](c1ccccc1)c2ccccc2 269982a_100000210263_100010140906 [1,0,1,0,0,0|2,0,0]=4 1362 B21R2.541 COCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000766300 [1,0,1,0,0,0|1,0,0]=3 1363 B21R2.541 COCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000766300 [1,0,1,0,0,0|1,0,0]=3 1364 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011218213 [1,0,1,0,0,0|1,0,0]=3 1365 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011218213 [1,0,1,0,0,0|1,0,0]=3 1366 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011218213 [1,0,1,0,0,0|1,0,0]=3 1367 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011215472 [1,0,1,0,0,0|2,0,0]=4 1368 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 2230a_100102946423_100000211591 [1,0,1,0,0,0|2,0,0]=4 1369 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 269862a_100000162943_100000211137 [1,0,1,0,0,0|2,0,0]=4 1370 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000211137 [1,0,1,0,0,0|2,0,0]=4 1371 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 270004a_100102946423_100000210122 [1,0,1,0,0,0|2,0,0]=4 1372 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011215472 [1,0,1,0,0,0|2,0,0]=4 1373 B21R2.289104 CCC(CC)NCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000210860 [1,0,1,0,0,0|2,0,0]=4 1374 B21R2.289104 CCN(CC)CC=C(c1ccccc1)c2ccccc2 270004a_100000724800_100000050448 [1,0,1,0,0,0|0,0,2]=4 1375 B21R2.289104 CCN(CC)CCC(c1ccccc1)c2ccccc2 2230a_100000724800_100009813428 [1,0,1,0,0,0|0,0,0]=2 1376 B21R2.289104 CCN(CC)CCC(c1ccccc1)c2ccccc2 269956a_100000042499_100009813428 [1,0,1,0,0,0|0,0,0]=2 1377 B21R2.289104 CCN(CC)CCC(c1ccccc1)c2ccccc2 269982a_100000724800_100009813428 [1,0,1,0,0,0|0,0,0]=2 1378 B21R2.289104 CCN(CC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000724800_100010140906 [1,0,1,0,0,0|1,0,0]=3 1379 B21R2.289104 CCN(CC)CC[S+](c1ccccc1)c2ccccc2 269956a_100000042499_100010140906 [1,0,1,0,0,0|1,0,0]=3 1380 B21R2.289104 CCN(CC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000724800_100010140906 [1,0,1,0,0,0|1,0,0]=3 1381 B21R2.289104 CCN(CC)COC(c1ccccc1)c2ccccc2 7a_200015374951_100011216954 [1,0,1,0,0,0|1,0,0]=3 1382 B23R2.23257 CC(CCN)COCCC(c1ccccc1)c2ccccc2 34a_106354213184_100009813428 [0,1,1,0,0,0|2,0,0]=4 1383 B23R2.23257 CCCC(=O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000747444 [0,1,1,0,0,0|0,0,1]=3 1384 B23R2.23257 CCCC(=O)CNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000747444 [0,1,1,0,0,0|1,0,1]=4 1385 B23R2.23257 CCCC(=O)COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000747444 [0,1,1,0,0,0|1,0,1]=4 1386 B23R2.23257 CCCC(C)CNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011216630 [0,1,1,0,0,0|1,0,0]=3 1387 B23R2.23257 CCCC(C)CNCCP(c1ccccc1)c2ccccc2 270004a_107094377242_100000243154 [0,1,1,0,0,0|1,0,0]=3 1388 B23R2.23257 CCCC(C)CNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011216630 [0,1,1,0,0,0|1,0,0]=3 1389 B23R2.23257 CCC[C@H](N)COCCC(c1ccccc1)c2ccccc2 34a_100000732646_100009813428 [0,1,1,0,0,0|1,0,0]=3 1390 B23R2.23257 CCNC(=O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000183381 [0,1,1,0,0,0|1,0,1]=4 1391 B23R2.23257 CCNC(=O)CNCCC(c1ccccc1)c2ccccc2 2230a_100016988866_100009813428 [0,1,1,0,0,0|1,0,1]=4 1392 B23R2.23257 CCNC(=O)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000183381 [0,1,1,0,0,0|1,0,1]=4 1393 B23R2.23257 CCOC(=O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000188475 [0,1,1,0,0,0|1,0,1]=4 1394 B23R2.23257 CCOC(=O)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000188475 [0,1,1,0,0,0|1,0,1]=4 1395 B23R2.23257 COCC(N)COCCC(c1ccccc1)c2ccccc2 34a_100000724102_100009813428 [0,1,1,0,0,0|2,0,0]=4 1396 B23R2.23257 COCC(O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000756049_100009813428 [0,1,1,0,0,0|1,0,0]=3 1397 B23R2.23257 COCC(O)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011215053 [0,1,1,0,0,0|1,0,0]=3 1398 B23R2.23257 COCC(O)CNCCC(c1ccccc1)c2ccccc2 34a_100000756049_100009813428 [0,1,1,0,0,0|1,0,0]=3 1399 B23R2.23257 COCC(O)CNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011215053 [0,1,1,0,0,0|2,0,0]=4 1400 B23R2.23257 COCC(O)CNCC[S+](c1ccccc1)c2ccccc2 2230a_100000756049_100010140906 [0,1,1,0,0,0|2,0,0]=4 1401 B23R2.23257 COCC(O)COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011215053 [0,1,1,0,0,0|2,0,0]=4 1402 B23R2.23257 COCC(O)COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215053 [0,1,1,0,0,0|2,0,0]=4 1403 B23R2.23257 COCC(O)CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100011215053 [0,1,1,0,0,0|2,0,0]=4 1404 B23R2.23257 COCC(O)CSCCC(c1ccccc1)c2ccccc2 62a_100011215053_100009813428 [0,1,1,0,0,0|2,0,0]=4 1405 B23R2.23257 N#CC[C@H](O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000001066 [0,1,1,0,0,0|1,0,1]=4 1406 B23R2.26823 CC(CO)CCNCCC(c1ccccc1)c2ccccc2 2230a_106354213184_100009813428 [0,1,1,0,0,0|1,0,0]=3 1407 B23R2.26823 CC(CO)CCNCCC(c1ccccc1)c2ccccc2 34a_106354213184_100009813428 [0,1,1,0,0,0|1,0,0]=3 1408 B23R2.26823 CC(CO)CCNCC[S+](c1ccccc1)c2ccccc2 2230a_106354213184_100010140906 [0,1,1,0,0,0|2,0,0]=4 1409 B23R2.26823 CCC(C)CCNCC[S+](c1ccccc1)c2ccccc2 2230a_100020591266_100010140906 [0,1,1,0,0,0|1,0,0]=3 1410 B23R2.26823 CNC(=O)CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000737683 [0,1,1,0,0,0|1,0,1]=4 1411 B23R2.26823 CNC(=O)CCNCCC(c1ccccc1)c2ccccc2 2230a_100000738227_100009813428 [0,1,1,0,0,0|1,0,1]=4 1412 B23R2.26823 CNC(=O)CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100012179268 [0,1,1,0,0,0|1,0,1]=4 1413 B23R2.26823 CNC(=O)CCNCCC(c1ccccc1)c2ccccc2 34a_100000738227_100009813428 [0,1,1,0,0,0|1,0,1]=4 1414 B23R2.26823 COC(=O)CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000204255 [0,1,1,0,0,0|1,0,1]=4 1415 B23R2.26823 COC(=O)CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000742370 [0,1,1,0,0,0|1,0,1]=4 1416 B23R2.26823 COC(C)CCOCCC(c1ccccc1)c2ccccc2 7a_100000764861_100009813428 [0,1,1,0,0,0|2,0,0]=4 1417 B23R2.28171 BrCCCCOCCOC(c1ccccc1)c2ccccc2 34a_100011216708_100000734929 [0,1,1,0,0,0|2,0,0]=4 1418 B23R2.28171 BrCCOCCOCCC(c1ccccc1)c2ccccc2 34a_100000692535_100009813428 [0,1,1,0,0,0|2,0,0]=4 1419 B23R2.28171 BrCCOCCOCCC(c1ccccc1)c2ccccc2 7a_100000692535_100009813428 [0,1,1,0,0,0|2,0,0]=4 1420 B23R2.28171 C#CCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100010269958 [0,1,1,0,0,0|0,0,1]=3 1421 B23R2.28171 C#CCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000706060_100009813428 [0,1,1,0,0,0|0,0,1]=3 1422 B23R2.28171 C#CCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100010269958 [0,1,1,0,0,0|0,0,1]=3 1423 B23R2.28171 C#CCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000706060_100009813428 [0,1,1,0,0,0|0,0,1]=3 1424 B23R2.28171 C#CCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100010269958 [0,1,1,0,0,0|1,0,1]=4 1425 B23R2.28171 C#CCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100010269958 [0,1,1,0,0,0|1,0,1]=4 1426 B23R2.28171 C#CCCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000706060_100010140906 [0,1,1,0,0,0|1,0,1]=4 1427 B23R2.28171 C#CCCCNCCOC(c1ccccc1)c2ccccc2 34a_100000718082_100000734929 [0,1,1,0,0,0|0,0,2]=4 1428 B23R2.28171 C#CCOCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100010402529 [0,1,1,0,0,0|0,0,2]=4 1429 B23R2.28171 C#CCOCCNCCC(c1ccccc1)c2ccccc2 2230a_100000700922_100009813428 [0,1,1,0,0,0|0,0,2]=4 1430 B23R2.28171 C#CCOCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100010402529 [0,1,1,0,0,0|0,0,2]=4 1431 B23R2.28171 C#CCOCCNCCC(c1ccccc1)c2ccccc2 34a_100000700922_100009813428 [0,1,1,0,0,0|0,0,2]=4 1432 B23R2.28171 C=CCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011215482 [0,1,1,0,0,0|1,0,1]=4 1433 B23R2.28171 C=CCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011215482 [0,1,1,0,0,0|1,0,1]=4 1434 B23R2.28171 C=CCCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000703577_100010140906 [0,1,1,0,0,0|1,0,1]=4 1435 B23R2.28171 C=CCCCNCCOC(c1ccccc1)c2ccccc2 2230a_100000700776_100000734929 [0,1,1,0,0,0|0,0,2]=4 1436 B23R2.28171 C=CCCCNCCOC(c1ccccc1)c2ccccc2 34a_100000700776_100000734929 [0,1,1,0,0,0|0,0,2]=4 1437 B23R2.28171 C=COCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000210767_100009813428 [0,1,1,0,0,0|0,0,2]=4 1438 B23R2.28171 C=COCCCNCCC(c1ccccc1)c2ccccc2 34a_100000210767_100009813428 [0,1,1,0,0,0|0,0,2]=4 1439 B23R2.28171 CC/C=C\CCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100015370543 [0,1,1,0,0,0|1,0,1]=4 1440 B23R2.28171 CC/C=C\CCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100015370543 [0,1,1,0,0,0|1,0,1]=4 1441 B23R2.28171 CCCCCC#CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009816472 [0,1,1,0,0,0|1,0,1]=4 1442 B23R2.28171 CCCCCC#CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100009816472 [0,1,1,0,0,0|1,0,1]=4 1443 B23R2.28171 CCCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210314 [0,1,1,0,0,0|1,0,0]=3 1444 B23R2.28171 CCCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210314 [0,1,1,0,0,0|1,0,0]=3 1445 B23R2.28171 CCCCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000210581_100010140906 [0,1,1,0,0,0|1,0,0]=3 1446 B23R2.28171 CCCCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000210326 [0,1,1,0,0,0|1,0,0]=3 1447 B23R2.28171 CCCCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000718602 [0,1,1,0,0,0|1,0,0]=3 1448 B23R2.28171 CCCCCNCCOC(c1ccccc1)c2ccccc2 2230a_100000209983_100000734929 [0,1,1,0,0,0|0,0,0]=2 1449 B23R2.28171 CCCCOCCCNC(c1ccccc1)c2ccccc2 2230a_200000211371_100000211591 [0,1,1,0,0,0|2,0,0]=4 1450 B23R2.28171 CCCCOCCCNC(c1ccccc1)c2ccccc2 270004a_200000211371_100000210122 [0,1,1,0,0,0|2,0,0]=4 1451 B23R2.28171 CCCCOCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000743108 [0,1,1,0,0,0|2,0,0]=4 1452 B23R2.28171 CCCCOCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000743108 [0,1,1,0,0,0|2,0,0]=4 1453 B23R2.28171 CCCCOCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000743108 [0,1,1,0,0,0|2,0,0]=4 1454 B23R2.28171 CCCCOCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000743108 [0,1,1,0,0,0|2,0,0]=4 1455 B23R2.28171 CCCCOCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011995733 [0,1,1,0,0,0|0,0,0]=2 1456 B23R2.28171 CCCCOCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011995733 [0,1,1,0,0,0|0,0,0]=2 1457 B23R2.28171 CCCCOCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011995733 [0,1,1,0,0,0|1,0,0]=3 1458 B23R2.28171 CCCCOCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011995733 [0,1,1,0,0,0|1,0,0]=3 1459 B23R2.28171 CCCCOCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100011995733 [0,1,1,0,0,0|2,0,0]=4 1460 B23R2.28171 CCCOCCNCC=C(c1ccccc1)c2ccccc2 270004a_100161115042_100000050448 [0,1,1,0,0,0|0,0,2]=4 1461 B23R2.28171 CCCOCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011215938 [0,1,1,0,0,0|0,0,0]=2 1462 B23R2.28171 CCCOCCNCCC(c1ccccc1)c2ccccc2 2230a_100161115042_100009813428 [0,1,1,0,0,0|0,0,0]=2 1463 B23R2.28171 CCCOCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011215938 [0,1,1,0,0,0|0,0,0]=2 1464 B23R2.28171 CCCOCCNCCC(c1ccccc1)c2ccccc2 34a_100161115042_100009813428 [0,1,1,0,0,0|0,0,0]=2 1465 B23R2.28171 CCCOCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011215938 [0,1,1,0,0,0|1,0,0]=3 1466 B23R2.28171 CCCOCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011215938 [0,1,1,0,0,0|1,0,0]=3 1467 B23R2.28171 CCCOCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100161115042_100010140906 [0,1,1,0,0,0|1,0,0]=3 1468 B23R2.28171 CCCOCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011215938 [0,1,1,0,0,0|1,0,0]=3 1469 B23R2.28171 CCCOCCOCCC(c1ccccc1)c2ccccc2 34a_100000752267_100009813428 [0,1,1,0,0,0|1,0,0]=3 1470 B23R2.28171 CCCOCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215938 [0,1,1,0,0,0|1,0,0]=3 1471 B23R2.28171 CCCOCCOCCC(c1ccccc1)c2ccccc2 7a_100000752267_100009813428 [0,1,1,0,0,0|1,0,0]=3 1472 B23R2.28171 CCCOCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100011215938 [0,1,1,0,0,0|2,0,0]=4 1473 B23R2.28171 CCCOCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100011215938 [0,1,1,0,0,0|2,0,0]=4 1474 B23R2.28171 CCCOCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000752267_100010140906 [0,1,1,0,0,0|2,0,0]=4 1475 B23R2.28171 CCCOCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100011215938 [0,1,1,0,0,0|2,0,0]=4 1476 B23R2.28171 CCCOCCSCC[S+](c1ccccc1)c2ccccc2 62a_100011215938_100010140906 [0,1,1,0,0,0|2,0,0]=4 1477 B23R2.28171 CCCSCCNCC=C(c1ccccc1)c2ccccc2 270004a_100020603323_100000050448 [0,1,1,0,0,0|0,0,2]=4 1478 B23R2.28171 CCCSCCNCCC(c1ccccc1)c2ccccc2 2230a_100020603323_100009813428 [0,1,1,0,0,0|0,0,0]=2 1479 B23R2.28171 CCCSCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100020603323_100010140906 [0,1,1,0,0,0|1,0,0]=3 1480 B23R2.28171 CCCSCCOCC[S+](c1ccccc1)c2ccccc2 7a_200000230433_100010140906 [0,1,1,0,0,0|2,0,0]=4 1481 B23R2.28171 CCOCCCNCC=C(c1ccccc1)c2ccccc2 270004a_100000210961_100000050448 [0,1,1,0,0,0|0,0,2]=4 1482 B23R2.28171 CCOCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000210961_100009813428 [0,1,1,0,0,0|0,0,0]=2 1483 B23R2.28171 CCOCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100012232248 [0,1,1,0,0,0|0,0,0]=2 1484 B23R2.28171 CCOCCCNCCC(c1ccccc1)c2ccccc2 34a_100000210961_100009813428 [0,1,1,0,0,0|0,0,0]=2 1485 B23R2.28171 CCOCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100012232248 [0,1,1,0,0,0|0,0,0]=2 1486 B23R2.28171 CCOCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100012232248 [0,1,1,0,0,0|1,0,0]=3 1487 B23R2.28171 CCOCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100012232248 [0,1,1,0,0,0|1,0,0]=3 1488 B23R2.28171 CCOCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000210961_100010140906 [0,1,1,0,0,0|1,0,0]=3 1489 B23R2.28171 CCOCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100012232248 [0,1,1,0,0,0|1,0,0]=3 1490 B23R2.28171 CCOCCCOCCC(c1ccccc1)c2ccccc2 34a_100000757476_100009813428 [0,1,1,0,0,0|1,0,0]=3 1491 B23R2.28171 CCOCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100012232248 [0,1,1,0,0,0|1,0,0]=3 1492 B23R2.28171 CCOCCCOCCC(c1ccccc1)c2ccccc2 7a_100000757476_100009813428 [0,1,1,0,0,0|1,0,0]=3 1493 B23R2.28171 CCOCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100012232248 [0,1,1,0,0,0|2,0,0]=4 1494 B23R2.28171 CCOCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100012232248 [0,1,1,0,0,0|2,0,0]=4 1495 B23R2.28171 CCOCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100000757476_100010140906 [0,1,1,0,0,0|2,0,0]=4 1496 B23R2.28171 CCOCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100012232248 [0,1,1,0,0,0|2,0,0]=4 1497 B23R2.28171 CCOCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100012232248_100010140906 [0,1,1,0,0,0|2,0,0]=4 1498 B23R2.28171 CCOCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100011215890 [0,1,1,0,0,0|2,0,0]=4 1499 B23R2.28171 CCOCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000210147 [0,1,1,0,0,0|2,0,0]=4 1500 B23R2.28171 CCOCCNCCOC(c1ccccc1)c2ccccc2 2230a_102516460346_100000734929 [0,1,1,0,0,0|1,0,0]=3 1501 B23R2.28171 CCOCCNCCOC(c1ccccc1)c2ccccc2 34a_102516460346_100000734929 [0,1,1,0,0,0|1,0,0]=3 1502 B23R2.28171 CCOCCOCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011211534 [0,1,1,0,0,0|2,0,0]=4 1503 B23R2.28171 CCOCCOCCNC(c1ccccc1)c2ccccc2 2230a_100102712874_100000211591 [0,1,1,0,0,0|2,0,0]=4 1504 B23R2.28171 CCOCCOCCNC(c1ccccc1)c2ccccc2 270004a_100102712874_100000210122 [0,1,1,0,0,0|2,0,0]=4 1505 B23R2.28171 CCOCCOCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011211534 [0,1,1,0,0,0|2,0,0]=4 1506 B23R2.28171 CCOCCOCCOC(c1ccccc1)c2ccccc2 34a_100000210136_100000734929 [0,1,1,0,0,0|2,0,0]=4 1507 B23R2.28171 CCOCCOCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011211534 [0,1,1,0,0,0|2,0,0]=4 1508 B23R2.28171 CCOCCOCCOC(c1ccccc1)c2ccccc2 7a_100000210136_100000734929 [0,1,1,0,0,0|2,0,0]=4 1509 B23R2.28171 CCOCCOCCOC(c1ccccc1)c2ccccc2 7a_100000210240_100011216954 [0,1,1,0,0,0|2,0,0]=4 1510 B23R2.28171 CCOCCOCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011211534 [0,1,1,0,0,0|2,0,0]=4 1511 B23R2.28171 CCOCCOCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011211534 [0,1,1,0,0,0|2,0,0]=4 1512 B23R2.28171 CCOCCOCCSC(c1ccccc1)c2ccccc2 62a_100011211534_100011216954 [0,1,1,0,0,0|2,0,0]=4 1513 B23R2.28171 CCOCCSCCOC(c1ccccc1)c2ccccc2 62a_100000210147_100000734929 [0,1,1,0,0,0|2,0,0]=4 1514 B23R2.28171 CCOCCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100011215890 [0,1,1,0,0,0|2,0,0]=4 1515 B23R2.28171 CCSCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100011216438_100010140906 [0,1,1,0,0,0|2,0,0]=4 1516 B23R2.28171 CCSCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000757381 [0,1,1,0,0,0|2,0,0]=4 1517 B23R2.28171 CCSCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000757381 [0,1,1,0,0,0|2,0,0]=4 1518 B23R2.28171 CCSCCNCCOC(c1ccccc1)c2ccccc2 2230a_100000106463_100000734929 [0,1,1,0,0,0|1,0,0]=3 1519 B23R2.28171 CCSCCOCCOC(c1ccccc1)c2ccccc2 34a_100000212035_100000734929 [0,1,1,0,0,0|2,0,0]=4 1520 B23R2.28171 CCSCCOCCOC(c1ccccc1)c2ccccc2 7a_100000212035_100000734929 [0,1,1,0,0,0|2,0,0]=4 1521 B23R2.28171 CNCCCOCCOC(c1ccccc1)c2ccccc2 34a_100000213112_100000734929 [0,1,1,0,0,0|2,0,0]=4 1522 B23R2.28171 COCCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011998445 [0,1,1,0,0,0|2,0,0]=4 1523 B23R2.28171 COCCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011998445 [0,1,1,0,0,0|2,0,0]=4 1524 B23R2.28171 COCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000730899 [0,1,1,0,0,0|0,0,0]=2 1525 B23R2.28171 COCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000755781 [0,1,1,0,0,0|0,0,0]=2 1526 B23R2.28171 COCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000730899 [0,1,1,0,0,0|1,0,0]=3 1527 B23R2.28171 COCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000755781 [0,1,1,0,0,0|1,0,0]=3 1528 B23R2.28171 COCCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000755781 [0,1,1,0,0,0|1,0,0]=3 1529 B23R2.28171 COCCCCOCCC(c1ccccc1)c2ccccc2 34a_100000740925_100009813428 [0,1,1,0,0,0|1,0,0]=3 1530 B23R2.28171 COCCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000730899 [0,1,1,0,0,0|1,0,0]=3 1531 B23R2.28171 COCCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000755781 [0,1,1,0,0,0|2,0,0]=4 1532 B23R2.28171 COCCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000730899 [0,1,1,0,0,0|2,0,0]=4 1533 B23R2.28171 COCCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100000730899_100010140906 [0,1,1,0,0,0|2,0,0]=4 1534 B23R2.28171 COCCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000730899 [0,1,1,0,0,0|2,0,0]=4 1535 B23R2.28171 COCCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000740836 [0,1,1,0,0,0|2,0,0]=4 1536 B23R2.28171 COCCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000740836 [0,1,1,0,0,0|2,0,0]=4 1537 B23R2.28171 COCCCNCCOC(c1ccccc1)c2ccccc2 34a_100150723488_100000734929 [0,1,1,0,0,0|1,0,0]=3 1538 B23R2.28171 COCCCOCCOC(c1ccccc1)c2ccccc2 34a_100000740835_100000734929 [0,1,1,0,0,0|2,0,0]=4 1539 B23R2.28171 COCCCSCCOC(c1ccccc1)c2ccccc2 62a_100000709357_100000734929 [0,1,1,0,0,0|2,0,0]=4 1540 B23R2.28171 COCCCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000709357 [0,1,1,0,0,0|2,0,0]=4 1541 B23R2.28171 COCCOCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000231047 [0,1,1,0,0,0|1,0,0]=3 1542 B23R2.28171 COCCOCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000231047 [0,1,1,0,0,0|2,0,0]=4 1543 B23R2.28171 COCCOCSCCC(c1ccccc1)c2ccccc2 62a_100000231047_100009813428 [0,1,1,0,0,0|2,0,0]=4 1544 B23R2.28171 COCCOCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000231047 [0,1,1,0,0,0|2,0,0]=4 1545 B23R2.28171 CSCCCCOCC[S+](c1ccccc1)c2ccccc2 7a_100011217163_100010140906 [0,1,1,0,0,0|2,0,0]=4 1546 B23R2.28171 CSCCCNCCOC(c1ccccc1)c2ccccc2 2230a_100000749238_100000734929 [0,1,1,0,0,0|1,0,0]=3 1547 B23R2.28171 CSCCCOCCOC(c1ccccc1)c2ccccc2 34a_100000690336_100000734929 [0,1,1,0,0,0|2,0,0]=4 1548 B23R2.28171 CSCCCOCCOC(c1ccccc1)c2ccccc2 7a_100000690336_100000734929 [0,1,1,0,0,0|2,0,0]=4 1549 B23R2.28171 ClCCCCOCCOC(c1ccccc1)c2ccccc2 34a_100000210776_100000734929 [0,1,1,0,0,0|2,0,0]=4 1550 B23R2.28171 ClCCCCOCCOC(c1ccccc1)c2ccccc2 7a_100000210776_100000734929 [0,1,1,0,0,0|2,0,0]=4 1551 B23R2.28171 ClCCOCCOCCC(c1ccccc1)c2ccccc2 34a_100011215305_100009813428 [0,1,1,0,0,0|2,0,0]=4 1552 B23R2.28171 ClCCOCCOCCC(c1ccccc1)c2ccccc2 7a_100011215305_100009813428 [0,1,1,0,0,0|2,0,0]=4 1553 B23R2.28171 FCCCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100015922095 [0,1,1,0,0,0|2,0,0]=4 1554 B23R2.28171 FCCCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100015922095 [0,1,1,0,0,0|2,0,0]=4 1555 B23R2.28171 FCCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000729378 [0,1,1,0,0,0|0,0,0]=2 1556 B23R2.28171 FCCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000729378 [0,1,1,0,0,0|0,0,0]=2 1557 B23R2.28171 FCCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000729378 [0,1,1,0,0,0|1,0,0]=3 1558 B23R2.28171 FCCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000729378 [0,1,1,0,0,0|1,0,0]=3 1559 B23R2.28171 FCCCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000729378 [0,1,1,0,0,0|2,0,0]=4 1560 B23R2.28171 FCCCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000729378 [0,1,1,0,0,0|2,0,0]=4 1561 B23R2.28171 FCCCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000729493 [0,1,1,0,0,0|2,0,0]=4 1562 B23R2.28171 FCCCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100000729493 [0,1,1,0,0,0|2,0,0]=4 1563 B23R2.28171 FCCCCOCCOC(c1ccccc1)c2ccccc2 34a_100011995726_100000734929 [0,1,1,0,0,0|2,0,0]=4 1564 B23R2.28171 FCCCCOCCOC(c1ccccc1)c2ccccc2 7a_100011995726_100000734929 [0,1,1,0,0,0|2,0,0]=4 1565 B23R2.28171 FCCOCCOCCC(c1ccccc1)c2ccccc2 34a_200015357709_100009813428 [0,1,1,0,0,0|2,0,0]=4 1566 B23R2.28171 FCCOCCOCCC(c1ccccc1)c2ccccc2 7a_200015357709_100009813428 [0,1,1,0,0,0|2,0,0]=4 1567 B23R2.28171 ICCOCCOCCC(c1ccccc1)c2ccccc2 34a_100012149058_100009813428 [0,1,1,0,0,0|2,0,0]=4 1568 B23R2.28171 ICCOCCOCCC(c1ccccc1)c2ccccc2 7a_100012149058_100009813428 [0,1,1,0,0,0|2,0,0]=4 1569 B23R2.28171 N#CCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000211819 [0,1,1,0,0,0|0,0,1]=3 1570 B23R2.28171 N#CCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000211819 [0,1,1,0,0,0|1,0,1]=4 1571 B23R2.28171 N#CCCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000211819 [0,1,1,0,0,0|1,0,1]=4 1572 B23R2.28171 N#CCOCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200000047693 [0,1,1,0,0,0|1,0,1]=4 1573 B23R2.28171 NCCCCCOCCC(c1ccccc1)c2ccccc2 34a_100000762737_100009813428 [0,1,1,0,0,0|1,0,0]=3 1574 B23R2.28171 NCCCCOCCOC(c1ccccc1)c2ccccc2 34a_100000750430_100000734929 [0,1,1,0,0,0|2,0,0]=4 1575 B23R2.28171 NCCOCCOCCC(c1ccccc1)c2ccccc2 34a_100000211614_100009813428 [0,1,1,0,0,0|2,0,0]=4 1576 B23R2.28171 O=CCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000139335 [0,1,1,0,0,0|0,0,1]=3 1577 B23R2.28171 O=CCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000139335 [0,1,1,0,0,0|1,0,1]=4 1578 B23R2.28171 O=CCCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000139335 [0,1,1,0,0,0|1,0,1]=4 1579 B23R2.28171 OCCCCCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000760002 [0,1,1,0,0,0|2,0,0]=4 1580 B23R2.28171 OCCCCCCCNC(c1ccccc1)c2ccccc2 2230a_100011996573_100000211591 [0,1,1,0,0,0|2,0,0]=4 1581 B23R2.28171 OCCCCCCCNC(c1ccccc1)c2ccccc2 270004a_100011996573_100000210122 [0,1,1,0,0,0|2,0,0]=4 1582 B23R2.28171 OCCCCCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000760002 [0,1,1,0,0,0|2,0,0]=4 1583 B23R2.28171 OCCCCCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000760002 [0,1,1,0,0,0|2,0,0]=4 1584 B23R2.28171 OCCCCCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000760002 [0,1,1,0,0,0|2,0,0]=4 1585 B23R2.28171 OCCCCCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000766143 [0,1,1,0,0,0|2,0,0]=4 1586 B23R2.28171 OCCCCCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000766143 [0,1,1,0,0,0|2,0,0]=4 1587 B23R2.28171 OCCCCCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000766143 [0,1,1,0,0,0|2,0,0]=4 1588 B23R2.28171 OCCCCCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000766143 [0,1,1,0,0,0|2,0,0]=4 1589 B23R2.28171 OCCCCCNCC=C(c1ccccc1)c2ccccc2 270004a_100000762737_100000050448 [0,1,1,0,0,0|0,0,2]=4 1590 B23R2.28171 OCCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000746330 [0,1,1,0,0,0|0,0,0]=2 1591 B23R2.28171 OCCCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000762737_100009813428 [0,1,1,0,0,0|0,0,0]=2 1592 B23R2.28171 OCCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000746330 [0,1,1,0,0,0|0,0,0]=2 1593 B23R2.28171 OCCCCCNCCC(c1ccccc1)c2ccccc2 34a_100000762737_100009813428 [0,1,1,0,0,0|0,0,0]=2 1594 B23R2.28171 OCCCCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000746330 [0,1,1,0,0,0|1,0,0]=3 1595 B23R2.28171 OCCCCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000746330 [0,1,1,0,0,0|1,0,0]=3 1596 B23R2.28171 OCCCCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000762737_100010140906 [0,1,1,0,0,0|1,0,0]=3 1597 B23R2.28171 OCCCCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000746330 [0,1,1,0,0,0|1,0,0]=3 1598 B23R2.28171 OCCCCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000746330 [0,1,1,0,0,0|1,0,0]=3 1599 B23R2.28171 OCCCCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000746330 [0,1,1,0,0,0|2,0,0]=4 1600 B23R2.28171 OCCCCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000746330 [0,1,1,0,0,0|2,0,0]=4 1601 B23R2.28171 OCCCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100000746330_100010140906 [0,1,1,0,0,0|2,0,0]=4 1602 B23R2.28171 OCCCCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000746330 [0,1,1,0,0,0|2,0,0]=4 1603 B23R2.28171 OCCCCNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_100000210776 [0,1,1,0,0,0|2,0,0]=4 1604 B23R2.28171 OCCCCNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_100011216708 [0,1,1,0,0,0|2,0,0]=4 1605 B23R2.28171 OCCCCNCCOC(c1ccccc1)c2ccccc2 2230a_100000750430_100000734929 [0,1,1,0,0,0|1,0,0]=3 1606 B23R2.28171 OCCCCNCCOC(c1ccccc1)c2ccccc2 34a_100000750430_100000734929 [0,1,1,0,0,0|1,0,0]=3 1607 B23R2.28171 OCCCCSCCOC(c1ccccc1)c2ccccc2 62a_100000210776_100000734929 [0,1,1,0,0,0|2,0,0]=4 1608 B23R2.28171 OCCCCSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000210776 [0,1,1,0,0,0|2,0,0]=4 1609 B23R2.28171 OCCOCCNCCC(c1ccccc1)c2ccccc2 2230a_100000211614_100009813428 [0,1,1,0,0,0|1,0,0]=3 1610 B23R2.28171 OCCOCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100011215305 [0,1,1,0,0,0|1,0,0]=3 1611 B23R2.28171 OCCOCCNCCC(c1ccccc1)c2ccccc2 34a_100000211614_100009813428 [0,1,1,0,0,0|1,0,0]=3 1612 B23R2.28171 OCCOCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000692535 [0,1,1,0,0,0|1,0,0]=3 1613 B23R2.28171 OCCOCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011215305 [0,1,1,0,0,0|2,0,0]=4 1614 B23R2.28171 OCCOCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000692535 [0,1,1,0,0,0|2,0,0]=4 1615 B23R2.28171 OCCOCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000211614_100010140906 [0,1,1,0,0,0|2,0,0]=4 1616 B23R2.28171 OCCOCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000692535 [0,1,1,0,0,0|2,0,0]=4 1617 B23R2.28171 OCCOCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215305 [0,1,1,0,0,0|2,0,0]=4 1618 B23R2.28171 OCCOCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100011215305 [0,1,1,0,0,0|2,0,0]=4 1619 B23R2.28171 OCCOCCSCCC(c1ccccc1)c2ccccc2 62a_100011215305_100009813428 [0,1,1,0,0,0|2,0,0]=4 1620 B23R2.28171 OCCSCCNCCC(c1ccccc1)c2ccccc2 2230a_100011219999_100009813428 [0,1,1,0,0,0|1,0,0]=3 1621 B23R2.28171 OCCSCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100011219999_100010140906 [0,1,1,0,0,0|2,0,0]=4 1622 B23R2.28171 [N-]=[N+]=NCCCNCCC(c1ccccc1)c2ccccc2 2230a_100000744732_100009813428 [0,1,1,0,0,0|2,0,0]=4 1623 B23R2.29366 CC(=O)CCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000685027 [0,1,1,0,0,0|0,0,1]=3 1624 B23R2.29366 CC(=O)CCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000685027 [0,1,1,0,0,0|1,0,1]=4 1625 B23R2.29366 CC(=O)CCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000685027 [0,1,1,0,0,0|1,0,1]=4 1626 B23R2.29366 CC(=O)CCCOCCC(c1ccccc1)c2ccccc2 34a_100000759063_100009813428 [0,1,1,0,0,0|1,0,1]=4 1627 B23R2.29366 CC(=O)CCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100011215641 [0,1,1,0,0,0|1,0,1]=4 1628 B23R2.29366 CC(=O)CCCOCCC(c1ccccc1)c2ccccc2 7a_100000759063_100009813428 [0,1,1,0,0,0|1,0,1]=4 1629 B23R2.29366 CC(=O)NCCNCCC(c1ccccc1)c2ccccc2 2230a_100000209853_100009813428 [0,1,1,0,0,0|1,0,1]=4 1630 B23R2.29366 CC(=O)NCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000189650 [0,1,1,0,0,0|1,0,1]=4 1631 B23R2.29366 CC(=O)OCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100009814007 [0,1,1,0,0,0|1,0,1]=4 1632 B23R2.29366 CC(C)CCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100011214892 [0,1,1,0,0,0|1,0,0]=3 1633 B23R2.29366 CC(C)CCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100011214892 [0,1,1,0,0,0|1,0,0]=3 1634 B23R2.29366 CC(C)CCCNCC[S+](c1ccccc1)c2ccccc2 2230a_200000737386_100010140906 [0,1,1,0,0,0|1,0,0]=3 1635 B23R2.29366 CC(C)NCCOCCC(c1ccccc1)c2ccccc2 34a_100000224655_100009813428 [0,1,1,0,0,0|2,0,0]=4 1636 B23R2.29366 CC(C)OCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000211751 [0,1,1,0,0,0|1,0,0]=3 1637 B23R2.29366 CC(C)OCCNCCC(c1ccccc1)c2ccccc2 2230a_100000701111_100009813428 [0,1,1,0,0,0|1,0,0]=3 1638 B23R2.29366 CC(C)OCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000211751 [0,1,1,0,0,0|1,0,0]=3 1639 B23R2.29366 CC(C)OCCNCCC(c1ccccc1)c2ccccc2 34a_100000701111_100009813428 [0,1,1,0,0,0|1,0,0]=3 1640 B23R2.29366 CC(C)OCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000211751 [0,1,1,0,0,0|2,0,0]=4 1641 B23R2.29366 CC(C)OCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000211751 [0,1,1,0,0,0|2,0,0]=4 1642 B23R2.29366 CC(C)OCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000701111_100010140906 [0,1,1,0,0,0|2,0,0]=4 1643 B23R2.29366 CC(C)OCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000211751 [0,1,1,0,0,0|2,0,0]=4 1644 B23R2.29366 CC(C)OCCOCCC(c1ccccc1)c2ccccc2 34a_100000211219_100009813428 [0,1,1,0,0,0|2,0,0]=4 1645 B23R2.29366 CC(C)OCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000211751 [0,1,1,0,0,0|2,0,0]=4 1646 B23R2.29366 CC(C)OCCOCCC(c1ccccc1)c2ccccc2 7a_100000211219_100009813428 [0,1,1,0,0,0|2,0,0]=4 1647 B23R2.29366 CC(C)SCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000730970 [0,1,1,0,0,0|1,0,0]=3 1648 B23R2.29366 CC(C)SCCNCCC(c1ccccc1)c2ccccc2 2230a_100000731138_100009813428 [0,1,1,0,0,0|1,0,0]=3 1649 B23R2.29366 CC(C)SCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000730970 [0,1,1,0,0,0|1,0,0]=3 1650 B23R2.29366 CC(C)SCCNCCC(c1ccccc1)c2ccccc2 34a_100000731138_100009813428 [0,1,1,0,0,0|1,0,0]=3 1651 B23R2.29366 CC(C)SCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000730970 [0,1,1,0,0,0|2,0,0]=4 1652 B23R2.29366 CC(C)SCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000730970 [0,1,1,0,0,0|2,0,0]=4 1653 B23R2.29366 CC(C)SCCNCC[S+](c1ccccc1)c2ccccc2 2230a_100000731138_100010140906 [0,1,1,0,0,0|2,0,0]=4 1654 B23R2.29366 CC(O)CCCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200000718107 [0,1,1,0,0,0|0,0,0]=2 1655 B23R2.29366 CC(O)CCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_200000718107 [0,1,1,0,0,0|0,0,0]=2 1656 B23R2.29366 CC(O)CCCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200000718107 [0,1,1,0,0,0|1,0,0]=3 1657 B23R2.29366 CC(O)CCCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_200000718107 [0,1,1,0,0,0|1,0,0]=3 1658 B23R2.29366 CC(O)CCCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_200000718107 [0,1,1,0,0,0|1,0,0]=3 1659 B23R2.29366 CC(O)CCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_200000718107 [0,1,1,0,0,0|1,0,0]=3 1660 B23R2.29366 CC(O)CCCOCCN(c1ccccc1)c2ccccc2 34a_100010001939_200000718107 [0,1,1,0,0,0|2,0,0]=4 1661 B23R2.29366 CC(O)CCCOCCN(c1ccccc1)c2ccccc2 7a_100010001939_200000718107 [0,1,1,0,0,0|2,0,0]=4 1662 B23R2.29366 CC(O)CCCSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_200000718107 [0,1,1,0,0,0|2,0,0]=4 1663 B23R2.29366 CC(O)CCCSCC[S+](c1ccccc1)c2ccccc2 62a_200000718107_100010140906 [0,1,1,0,0,0|2,0,0]=4 1664 B23R2.29366 CN(C)CCCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000757444 [0,1,1,0,0,0|2,0,0]=4 1665 B23R2.29366 CN(C)CCCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000757444 [0,1,1,0,0,0|2,0,0]=4 1666 B23R2.29366 CS(=O)CCCNCCC(c1ccccc1)c2ccccc2 2230a_200000753449_100009813428 [0,1,1,0,0,0|1,0,0]=3 1667 B23R2.29366 CS(=O)CCCNCC[S+](c1ccccc1)c2ccccc2 2230a_200000753449_100010140906 [0,1,1,0,0,0|2,0,0]=4 1668 B23R2.29366 NC(=O)CCCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100102525003 [0,1,1,0,0,0|1,0,1]=4 1669 B23R2.29366 NC(=O)CCCNCCC(c1ccccc1)c2ccccc2 34a_100000739312_100009813428 [0,1,1,0,0,0|1,0,1]=4 1670 B23R2.33724 CCCCC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100000210183 [0,1,1,0,0,0|0,0,1]=3 1671 B23R2.33724 CCCCC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100000210183 [0,1,1,0,0,0|0,0,1]=3 1672 B23R2.33724 CCCCC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100000210183 [0,1,1,0,0,0|0,0,1]=3 1673 B23R2.33724 CCCCC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100000210183 [0,1,1,0,0,0|0,0,1]=3 1674 B23R2.33724 CCCCC(=O)NCCP(c1ccccc1)c2ccccc2 11a_107094377242_100000210183 [0,1,1,0,0,0|1,0,1]=4 1675 B23R2.33724 CCCCC(=O)NCCP(c1ccccc1)c2ccccc2 1626a_107094377242_100000210183 [0,1,1,0,0,0|1,0,1]=4 1676 B23R2.33724 CCCCC(=O)NCCP(c1ccccc1)c2ccccc2 240690a_107094377242_100000210183 [0,1,1,0,0,0|1,0,1]=4 1677 B23R2.33724 CCCCC(=O)NCCP(c1ccccc1)c2ccccc2 527a_107094377242_100000210183 [0,1,1,0,0,0|1,0,1]=4 1678 B23R2.33724 CCCCC(C)NCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200011215066 [0,1,1,0,0,0|1,0,0]=3 1679 B23R2.33724 CCCCC(C)NCCP(c1ccccc1)c2ccccc2 270004a_107094377242_100000210087 [0,1,1,0,0,0|1,0,0]=3 1680 B23R2.33724 CCCCC(C)NCCP(c1ccccc1)c2ccccc2 34a_107094377242_200011215066 [0,1,1,0,0,0|1,0,0]=3 1681 B23R2.33724 CCCCC(C)NCC[S+](c1ccccc1)c2ccccc2 2230a_100000126638_100010140906 [0,1,1,0,0,0|1,0,0]=3 1682 B23R2.33724 CCCNC(=O)NCCC(c1ccccc1)c2ccccc2 2708a_100000272388_100020643023 [0,1,1,0,0,0|1,0,1]=4 1683 B23R2.33724 CCCNC(=O)NCCC(c1ccccc1)c2ccccc2 2708a_100020643023_100000272388 [0,1,1,0,0,0|1,0,1]=4 1684 B23R2.33724 CCCNC(=O)NCCC(c1ccccc1)c2ccccc2 273464a_100000272388_100020643023 [0,1,1,0,0,0|1,0,1]=4 1685 B23R2.33724 CCCNC(=O)NCCC(c1ccccc1)c2ccccc2 273464a_100020643023_100000272388 [0,1,1,0,0,0|1,0,1]=4 1686 B23R2.33724 CCCNC(=O)NCCC(c1ccccc1)c2ccccc2 512a_100020643023_100000272388 [0,1,1,0,0,0|1,0,1]=4 1687 B23R2.33724 CCNCC(=O)NCCC(c1ccccc1)c2ccccc2 2230a_100015525214_100000683963 [0,1,1,0,0,0|1,0,1]=4 1688 B23R2.33724 CCOCC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100000211967 [0,1,1,0,0,0|1,0,1]=4 1689 B23R2.33724 CCOCC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100000211967 [0,1,1,0,0,0|1,0,1]=4 1690 B23R2.33724 CCOCC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100000211967 [0,1,1,0,0,0|1,0,1]=4 1691 B23R2.33724 CCOCC(=O)NCCC(c1ccccc1)c2ccccc2 34a_100121572206_100000683963 [0,1,1,0,0,0|1,0,1]=4 1692 B23R2.33724 CCOCC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100000211967 [0,1,1,0,0,0|1,0,1]=4 1693 B23R2.33724 CCOCC(C)OCCC(c1ccccc1)c2ccccc2 34a_100000718985_100009813428 [0,1,1,0,0,0|2,0,0]=4 1694 B23R2.33724 CCOCC(C)OCCC(c1ccccc1)c2ccccc2 7a_100000718985_100009813428 [0,1,1,0,0,0|2,0,0]=4 1695 B23R2.33724 CCSCC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100000230394 [0,1,1,0,0,0|1,0,1]=4 1696 B23R2.33724 CCSCC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100000230394 [0,1,1,0,0,0|1,0,1]=4 1697 B23R2.33724 CCSCC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100000230394 [0,1,1,0,0,0|1,0,1]=4 1698 B23R2.33724 CCSCC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100000230394 [0,1,1,0,0,0|1,0,1]=4 1699 B23R2.33724 CCSCC(=O)NCCC(c1ccccc1)c2ccccc2 62a_100000210202_100000683963 [0,1,1,0,0,0|1,0,1]=4 1700 B23R2.33724 CCSCC(=O)NCCC(c1ccccc1)c2ccccc2 62a_100000683963_100000210202 [0,1,1,0,0,0|1,0,1]=4 1701 B23R2.33724 CCSCC(C)NCCC(c1ccccc1)c2ccccc2 270004a_100000272388_200011216171 [0,1,1,0,0,0|1,0,0]=3 1702 B23R2.33724 CCSCC(C)NCCP(c1ccccc1)c2ccccc2 270004a_107094377242_200011216171 [0,1,1,0,0,0|2,0,0]=4 1703 B23R2.33724 COCCC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100000749529 [0,1,1,0,0,0|1,0,1]=4 1704 B23R2.33724 COCCC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100000749529 [0,1,1,0,0,0|1,0,1]=4 1705 B23R2.33724 COCCC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100000749529 [0,1,1,0,0,0|1,0,1]=4 1706 B23R2.33724 COCCC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100000749529 [0,1,1,0,0,0|1,0,1]=4 1707 B23R2.33724 COCCC(C)NCCC(c1ccccc1)c2ccccc2 270004a_100000272388_100000742357 [0,1,1,0,0,0|1,0,0]=3 1708 B23R2.33724 COCCC(C)NCCP(c1ccccc1)c2ccccc2 270004a_107094377242_100000742357 [0,1,1,0,0,0|2,0,0]=4 1709 B23R2.33724 CSCCC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100000174002 [0,1,1,0,0,0|1,0,1]=4 1710 B23R2.33724 CSCCC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100000174002 [0,1,1,0,0,0|1,0,1]=4 1711 B23R2.33724 CSCCC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100000174002 [0,1,1,0,0,0|1,0,1]=4 1712 B23R2.33724 CSCCC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100000174002 [0,1,1,0,0,0|1,0,1]=4 1713 B23R2.33724 CSCCC(C)NCCC(c1ccccc1)c2ccccc2 270004a_100000272388_100011217047 [0,1,1,0,0,0|1,0,0]=3 1714 B23R2.33724 CSCCC(C)NCCP(c1ccccc1)c2ccccc2 270004a_107094377242_100011217047 [0,1,1,0,0,0|2,0,0]=4 1715 B23R2.62314 C#CCCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100000718082_200000011111 [0,1,1,0,0,0|0,0,2]=4 1716 B23R2.62314 CC(CC(c1ccccc1)c2ccccc2)NCCCCO 270004a_100000750430_200000011111 [0,1,1,0,0,0|1,0,0]=3 1717 B23R2.62314 CCCCCNC(=O)CC(c1ccccc1)c2ccccc2 11a_100000209983_100000499737 [0,1,1,0,0,0|0,0,1]=3 1718 B23R2.62314 CCCCCNC(=O)CC(c1ccccc1)c2ccccc2 1626a_100000209983_100000499737 [0,1,1,0,0,0|0,0,1]=3 1719 B23R2.62314 CCCCCNC(=O)CC(c1ccccc1)c2ccccc2 240690a_100000209983_100000499737 [0,1,1,0,0,0|0,0,1]=3 1720 B23R2.62314 CCCCCNC(=O)CC(c1ccccc1)c2ccccc2 527a_100000209983_100000499737 [0,1,1,0,0,0|0,0,1]=3 1721 B23R2.62314 CCCCCNC(=O)CP(c1ccccc1)c2ccccc2 11a_100000209983_200020607205 [0,1,1,0,0,0|1,0,1]=4 1722 B23R2.62314 CCCCCNC(=O)CP(c1ccccc1)c2ccccc2 1626a_100000209983_200020607205 [0,1,1,0,0,0|1,0,1]=4 1723 B23R2.62314 CCCCCNC(=O)CP(c1ccccc1)c2ccccc2 240690a_100000209983_200020607205 [0,1,1,0,0,0|1,0,1]=4 1724 B23R2.62314 CCCCCNC(=O)CP(c1ccccc1)c2ccccc2 527a_100000209983_200020607205 [0,1,1,0,0,0|1,0,1]=4 1725 B23R2.62314 CCCCCNC(=O)NC(c1ccccc1)c2ccccc2 2708a_100000209983_100000162943 [0,1,1,0,0,0|1,0,1]=4 1726 B23R2.62314 CCCCCNC(=O)NC(c1ccccc1)c2ccccc2 273464a_100000209983_100000162943 [0,1,1,0,0,0|1,0,1]=4 1727 B23R2.62314 CCCCCNC(=O)NC(c1ccccc1)c2ccccc2 512a_100000209983_100000162943 [0,1,1,0,0,0|1,0,1]=4 1728 B23R2.62314 CCCCNNC(=O)CC(c1ccccc1)c2ccccc2 22a_100025702795_100000499737 [0,1,1,0,0,0|1,0,1]=4 1729 B23R2.62314 CCOCCNC(=O)CC(c1ccccc1)c2ccccc2 11a_100011200944_100000499737 [0,1,1,0,0,0|1,0,1]=4 1730 B23R2.62314 CCOCCNC(=O)CC(c1ccccc1)c2ccccc2 1626a_102516460346_100000499737 [0,1,1,0,0,0|1,0,1]=4 1731 B23R2.62314 CCOCCNC(=O)CC(c1ccccc1)c2ccccc2 240690a_100011200944_100000499737 [0,1,1,0,0,0|1,0,1]=4 1732 B23R2.62314 CCOCCNC(=O)CC(c1ccccc1)c2ccccc2 527a_100011200944_100000499737 [0,1,1,0,0,0|1,0,1]=4 1733 B23R2.62314 CCOCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_102516460346_200000011111 [0,1,1,0,0,0|1,0,0]=3 1734 B23R2.62314 CCSCCNC(=O)CC(c1ccccc1)c2ccccc2 11a_100000106463_100000499737 [0,1,1,0,0,0|1,0,1]=4 1735 B23R2.62314 CCSCCNC(=O)CC(c1ccccc1)c2ccccc2 1626a_100000106463_100000499737 [0,1,1,0,0,0|1,0,1]=4 1736 B23R2.62314 CCSCCNC(=O)CC(c1ccccc1)c2ccccc2 240690a_100000106463_100000499737 [0,1,1,0,0,0|1,0,1]=4 1737 B23R2.62314 CCSCCNC(=O)CC(c1ccccc1)c2ccccc2 527a_100000106463_100000499737 [0,1,1,0,0,0|1,0,1]=4 1738 B23R2.62314 CCSCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100000106463_200000011111 [0,1,1,0,0,0|1,0,0]=3 1739 B23R2.62314 COCCCNC(=O)CC(c1ccccc1)c2ccccc2 1626a_100150723488_100000499737 [0,1,1,0,0,0|1,0,1]=4 1740 B23R2.62314 COCCCNC(=O)CC(c1ccccc1)c2ccccc2 240690a_100150723488_100000499737 [0,1,1,0,0,0|1,0,1]=4 1741 B23R2.62314 COCCCNC(=O)CC(c1ccccc1)c2ccccc2 527a_100150723488_100000499737 [0,1,1,0,0,0|1,0,1]=4 1742 B23R2.62314 COCCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100150723488_200000011111 [0,1,1,0,0,0|1,0,0]=3 1743 B23R2.62314 CSCCCNC(=O)CC(c1ccccc1)c2ccccc2 11a_100000749238_100000499737 [0,1,1,0,0,0|1,0,1]=4 1744 B23R2.62314 CSCCCNC(=O)CC(c1ccccc1)c2ccccc2 1626a_100000749238_100000499737 [0,1,1,0,0,0|1,0,1]=4 1745 B23R2.62314 CSCCCNC(=O)CC(c1ccccc1)c2ccccc2 240690a_100000749238_100000499737 [0,1,1,0,0,0|1,0,1]=4 1746 B23R2.62314 CSCCCNC(=O)CC(c1ccccc1)c2ccccc2 527a_100000749238_100000499737 [0,1,1,0,0,0|1,0,1]=4 1747 B23R2.62314 CSCCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100000749238_200000011111 [0,1,1,0,0,0|1,0,0]=3 1748 B23R2.62314 O=C(CC(c1ccccc1)c2ccccc2)NCCCCO 240690a_100000750430_100000499737 [0,1,1,0,0,0|1,0,1]=4 1749 B23R2.62314 O=C(CC(c1ccccc1)c2ccccc2)NCCCCO 527a_100000750430_100000499737 [0,1,1,0,0,0|1,0,1]=4 1750 B23R2.63751 CCCCCNCC(=O)N(c1ccccc1)c2ccccc2 2230a_100000209983_200015198546 [0,1,1,0,0,0|1,0,1]=4 1751 B23R2.63751 CCCCCNCC(=O)N(c1ccccc1)c2ccccc2 2230a_100015202596_100000210326 [0,1,1,0,0,0|1,0,1]=4 1752 B23R2.63751 CCCCCNN=C(C)C(c1ccccc1)c2ccccc2 4a_100000694160_100000187087 [0,1,1,0,0,0|1,0,1]=4 1753 B23R2.63751 CCCCCNNC(=O)C(c1ccccc1)c2ccccc2 22a_100000694160_100000210944 [0,1,1,0,0,0|1,0,1]=4 1754 B23R2.178741 C#CCCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000731252 [0,1,1,0,0,0|0,0,2]=4 1755 B23R2.178741 C#CCCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011215417 [0,1,1,0,0,0|0,0,2]=4 1756 B23R2.178741 C#CCCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000695029 [0,1,1,0,0,0|0,0,2]=4 1757 B23R2.178741 CCC#CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100009813939 [0,1,1,0,0,0|0,0,2]=4 1758 B23R2.178741 CCC#CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100009813939 [0,1,1,0,0,0|0,0,2]=4 1759 B23R2.178741 CCCCCC(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_100000210326 [0,1,1,0,0,0|2,0,0]=4 1760 B23R2.178741 CCCCCC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_200012276598 [0,1,1,0,0,0|2,0,0]=4 1761 B23R2.178741 CCCCCC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_200012276598 [0,1,1,0,0,0|2,0,0]=4 1762 B23R2.178741 CCCCCC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_200012276598 [0,1,1,0,0,0|2,0,0]=4 1763 B23R2.178741 CCCCCC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_200012276598 [0,1,1,0,0,0|2,0,0]=4 1764 B23R2.178741 CCCCCC(=O)NCC(c1ccccc1)c2ccccc2 1626a_100000739227_100000212188 [0,1,1,0,0,0|2,0,0]=4 1765 B23R2.178741 CCCCCC(=O)NCC(c1ccccc1)c2ccccc2 240690a_100000739227_100000212188 [0,1,1,0,0,0|2,0,0]=4 1766 B23R2.178741 CCCCCC(=O)NCC(c1ccccc1)c2ccccc2 527a_100000739227_100000212188 [0,1,1,0,0,0|2,0,0]=4 1767 B23R2.178741 CCCCCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000223495_100010140906 [0,1,1,0,0,0|1,0,0]=3 1768 B23R2.178741 CCCCCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000223495_100010140906 [0,1,1,0,0,0|1,0,0]=3 1769 B23R2.178741 CCCOCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000745993_100009813428 [0,1,1,0,0,0|2,0,0]=4 1770 B23R2.178741 CCOCCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000749530_100009813428 [0,1,1,0,0,0|2,0,0]=4 1771 B23R2.178741 CCOCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011215890 [0,1,1,0,0,0|1,0,0]=3 1772 B23R2.178741 CCOCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011215890 [0,1,1,0,0,0|1,0,0]=3 1773 B23R2.178741 CCOCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210147 [0,1,1,0,0,0|1,0,0]=3 1774 B23R2.178741 CCSCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000757381 [0,1,1,0,0,0|1,0,0]=3 1775 B23R2.178741 CCSCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000757381 [0,1,1,0,0,0|1,0,0]=3 1776 B23R2.178741 CCSCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000757381 [0,1,1,0,0,0|1,0,0]=3 1777 B23R2.178741 CN(CCCC#N)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000687738 [0,1,1,0,0,0|1,0,1]=4 1778 B23R2.178741 CN(CCCC#N)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000687738 [0,1,1,0,0,0|1,0,1]=4 1779 B23R2.178741 CN(CCCC=O)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200011292268 [0,1,1,0,0,0|1,0,1]=4 1780 B23R2.178741 CN(CCCC=O)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200011292268 [0,1,1,0,0,0|1,0,1]=4 1781 B23R2.178741 CN(CCCCF)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000729493 [0,1,1,0,0,0|1,0,0]=3 1782 B23R2.178741 CN(CCCCF)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000729493 [0,1,1,0,0,0|1,0,0]=3 1783 B23R2.178741 CN(CCCCF)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000729493 [0,1,1,0,0,0|1,0,0]=3 1784 B23R2.178741 CN(CCCCO)CCC(c1ccccc1)c2ccccc2 2230a_100000717598_100009813428 [0,1,1,0,0,0|1,0,0]=3 1785 B23R2.178741 CN(CCCCO)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210776 [0,1,1,0,0,0|1,0,0]=3 1786 B23R2.178741 CN(CCCCO)CCC(c1ccccc1)c2ccccc2 269982a_100000717598_100009813428 [0,1,1,0,0,0|1,0,0]=3 1787 B23R2.178741 CN(CCCCO)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210776 [0,1,1,0,0,0|1,0,0]=3 1788 B23R2.178741 CN(CCCCO)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011216708 [0,1,1,0,0,0|1,0,0]=3 1789 B23R2.178741 CN(CCCCO)CC[S+](c1ccccc1)c2ccccc2 2230a_100000717598_100010140906 [0,1,1,0,0,0|2,0,0]=4 1790 B23R2.178741 CN(CCCCO)CC[S+](c1ccccc1)c2ccccc2 269982a_100000717598_100010140906 [0,1,1,0,0,0|2,0,0]=4 1791 B23R2.178741 COCCCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000741012_100009813428 [0,1,1,0,0,0|2,0,0]=4 1792 B23R2.178741 COCCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000224831_100009813428 [0,1,1,0,0,0|1,0,0]=3 1793 B23R2.178741 COCCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000740836 [0,1,1,0,0,0|1,0,0]=3 1794 B23R2.178741 COCCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000224831_100009813428 [0,1,1,0,0,0|1,0,0]=3 1795 B23R2.178741 COCCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000740836 [0,1,1,0,0,0|1,0,0]=3 1796 B23R2.178741 COCCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000740836 [0,1,1,0,0,0|1,0,0]=3 1797 B23R2.178741 COCCCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000224831_100010140906 [0,1,1,0,0,0|2,0,0]=4 1798 B23R2.178741 COCCCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000224831_100010140906 [0,1,1,0,0,0|2,0,0]=4 1799 B23R2.178741 O=C(CCCCO)CCC(c1ccccc1)c2ccccc2 1458a_100000695505_100009813428 [0,1,1,0,0,0|2,0,0]=4 1800 B23R2.4774 CC(CC(c1ccccc1)c2ccccc2)N(C)CCC#N 270004a_100000184479_200000011111 [0,1,1,0,0,0|1,0,1]=4 1801 B23R2.4774 CC(CC(c1ccccc1)c2ccccc2)N(C)CCCO 270004a_100000213112_200000011111 [0,1,1,0,0,0|1,0,0]=3 1802 B23R2.4774 CCCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 11a_100000207549_100000499737 [0,1,1,0,0,0|0,0,1]=3 1803 B23R2.4774 CCCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 1626a_100000207549_100000499737 [0,1,1,0,0,0|0,0,1]=3 1804 B23R2.4774 CCCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100000207549_100000499737 [0,1,1,0,0,0|0,0,1]=3 1805 B23R2.4774 CCCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 527a_100000207549_100000499737 [0,1,1,0,0,0|0,0,1]=3 1806 B23R2.4774 CCCCN(C)C(=O)CP(c1ccccc1)c2ccccc2 11a_100000207549_200020607205 [0,1,1,0,0,0|1,0,1]=4 1807 B23R2.4774 CCCCN(C)C(=O)CP(c1ccccc1)c2ccccc2 1626a_100000207549_200020607205 [0,1,1,0,0,0|1,0,1]=4 1808 B23R2.4774 CCCCN(C)C(=O)CP(c1ccccc1)c2ccccc2 240690a_100000207549_200020607205 [0,1,1,0,0,0|1,0,1]=4 1809 B23R2.4774 CCCCN(C)C(=O)CP(c1ccccc1)c2ccccc2 527a_100000207549_200020607205 [0,1,1,0,0,0|1,0,1]=4 1810 B23R2.4774 CN(CCCO)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100000213112_100000499737 [0,1,1,0,0,0|1,0,1]=4 1811 B23R2.4774 CN(CCCO)C(=O)CC(c1ccccc1)c2ccccc2 527a_100000213112_100000499737 [0,1,1,0,0,0|1,0,1]=4 1812 B23R2.4774 COCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 11a_100000743101_100000499737 [0,1,1,0,0,0|1,0,1]=4 1813 B23R2.4774 COCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 1626a_100000743101_100000499737 [0,1,1,0,0,0|1,0,1]=4 1814 B23R2.4774 COCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100000743101_100000499737 [0,1,1,0,0,0|1,0,1]=4 1815 B23R2.4774 COCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 527a_100000743101_100000499737 [0,1,1,0,0,0|1,0,1]=4 1816 B23R2.4774 COCCN(C)C(C)CC(c1ccccc1)c2ccccc2 270004a_100000743101_200000011111 [0,1,1,0,0,0|1,0,0]=3 1817 B23R2.4774 CSCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 11a_100000686725_100000499737 [0,1,1,0,0,0|1,0,1]=4 1818 B23R2.4774 CSCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 1626a_100000686725_100000499737 [0,1,1,0,0,0|1,0,1]=4 1819 B23R2.4774 CSCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100000686725_100000499737 [0,1,1,0,0,0|1,0,1]=4 1820 B23R2.4774 CSCCN(C)C(=O)CC(c1ccccc1)c2ccccc2 527a_100000686725_100000499737 [0,1,1,0,0,0|1,0,1]=4 1821 B23R2.4774 CSCCN(C)C(C)CC(c1ccccc1)c2ccccc2 270004a_100000686725_200000011111 [0,1,1,0,0,0|1,0,0]=3 1822 B23R2.78354 CC(CC#N)N(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100009813641 [0,1,1,0,0,0|1,0,1]=4 1823 B23R2.78354 CC(CC#N)N(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100009813641 [0,1,1,0,0,0|1,0,1]=4 1824 B23R2.78354 CC(CCO)N(C)CCC(c1ccccc1)c2ccccc2 2230a_100000731037_100009813428 [0,1,1,0,0,0|1,0,0]=3 1825 B23R2.78354 CC(CCO)N(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100009893172 [0,1,1,0,0,0|1,0,0]=3 1826 B23R2.78354 CC(CCO)N(C)CCC(c1ccccc1)c2ccccc2 269982a_100000731037_100009813428 [0,1,1,0,0,0|1,0,0]=3 1827 B23R2.78354 CC(CCO)N(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100009893172 [0,1,1,0,0,0|1,0,0]=3 1828 B23R2.78354 CC(CCO)N(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100009893172 [0,1,1,0,0,0|1,0,0]=3 1829 B23R2.78354 CC(CCO)N(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000731037_100010140906 [0,1,1,0,0,0|2,0,0]=4 1830 B23R2.78354 CC(CCO)N(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000731037_100010140906 [0,1,1,0,0,0|2,0,0]=4 1831 B23R2.78354 CCCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 11a_100025726140_100000211992 [0,1,1,0,0,0|0,0,1]=3 1832 B23R2.78354 CCCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 1626a_100025726140_100000211992 [0,1,1,0,0,0|0,0,1]=3 1833 B23R2.78354 CCCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 240690a_100025726140_100000211992 [0,1,1,0,0,0|0,0,1]=3 1834 B23R2.78354 CCCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 527a_100025726140_100000211992 [0,1,1,0,0,0|0,0,1]=3 1835 B23R2.78354 CCC[C@H](O)C(=O)CCC(c1ccccc1)c2ccccc2 1458a_100009822183_100009813428 [0,1,1,0,0,0|2,0,0]=4 1836 B23R2.78354 CCNC(=O)N(C)CCC(c1ccccc1)c2ccccc2 2708a_100015525214_100025726140 [0,1,1,0,0,0|1,0,1]=4 1837 B23R2.78354 CCNC(=O)N(C)CCC(c1ccccc1)c2ccccc2 273464a_100015525214_100025726140 [0,1,1,0,0,0|1,0,1]=4 1838 B23R2.78354 CN(CCC(c1ccccc1)c2ccccc2)C(=O)CCO 240690a_100025726140_100011216618 [0,1,1,0,0,0|1,0,1]=4 1839 B23R2.78354 COCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 11a_100025726140_100000210968 [0,1,1,0,0,0|1,0,1]=4 1840 B23R2.78354 COCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 1626a_100025726140_100000210968 [0,1,1,0,0,0|1,0,1]=4 1841 B23R2.78354 COCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 240690a_100025726140_100000210968 [0,1,1,0,0,0|1,0,1]=4 1842 B23R2.78354 COCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 527a_100025726140_100000210968 [0,1,1,0,0,0|1,0,1]=4 1843 B23R2.78354 COCC(C)N(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000765312 [0,1,1,0,0,0|1,0,0]=3 1844 B23R2.78354 COCC(C)N(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000765312 [0,1,1,0,0,0|1,0,0]=3 1845 B23R2.78354 COCC(C)N(C)CCC(c1ccccc1)c2ccccc2 270004a_100025726140_100000749346 [0,1,1,0,0,0|1,0,0]=3 1846 B23R2.78354 COCC(C)N(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000765312 [0,1,1,0,0,0|1,0,0]=3 1847 B23R2.78354 CSCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 11a_100025726140_100000184570 [0,1,1,0,0,0|1,0,1]=4 1848 B23R2.78354 CSCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 1626a_100025726140_100000184570 [0,1,1,0,0,0|1,0,1]=4 1849 B23R2.78354 CSCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 240690a_100025726140_100000184570 [0,1,1,0,0,0|1,0,1]=4 1850 B23R2.78354 CSCC(=O)N(C)CCC(c1ccccc1)c2ccccc2 527a_100025726140_100000184570 [0,1,1,0,0,0|1,0,1]=4 1851 B23R2.78354 CSCC(C)N(C)CCC(c1ccccc1)c2ccccc2 270004a_100025726140_100011216314 [0,1,1,0,0,0|1,0,0]=3 1852 B23R2.472609 CC(=O)CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000053229 [0,1,1,0,0,0|0,0,1]=3 1853 B23R2.472609 CC(=O)OCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000076356 [0,1,1,0,0,0|1,0,1]=4 1854 B23R2.472609 CC(=O)OCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100009813279 [0,1,1,0,0,0|1,0,1]=4 1855 B23R2.472609 CC(C)CCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000742789_100010140906 [0,1,1,0,0,0|1,0,0]=3 1856 B23R2.472609 CC(C)CCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000742789_100010140906 [0,1,1,0,0,0|1,0,0]=3 1857 B23R2.472609 CC(C)OCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000709892 [0,1,1,0,0,0|1,0,0]=3 1858 B23R2.472609 CC(C)OCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000709892 [0,1,1,0,0,0|1,0,0]=3 1859 B23R2.472609 CC(C)OCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000709892 [0,1,1,0,0,0|1,0,0]=3 1860 B23R2.472609 CC(O)CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100012276601 [0,1,1,0,0,0|0,0,0]=2 1861 B23R2.472609 CC(O)CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100012276601 [0,1,1,0,0,0|0,0,0]=2 1862 B23R2.472609 CC(O)CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100012276601 [0,1,1,0,0,0|0,0,0]=2 1863 B23R2.472609 CN(C)CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000225618_100009813428 [0,1,1,0,0,0|1,0,0]=3 1864 B23R2.472609 CN(C)CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000755713 [0,1,1,0,0,0|1,0,0]=3 1865 B23R2.472609 CN(C)CCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000225618_100010140906 [0,1,1,0,0,0|2,0,0]=4 1866 B23R2.472609 CN(CCC(=O)N)CCC(c1ccccc1)c2ccccc2 2230a_100000730477_100009813428 [0,1,1,0,0,0|1,0,1]=4 1867 B23R2.472609 CN(CCC(=O)N)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000744528 [0,1,1,0,0,0|1,0,1]=4 1868 B23R2.472609 CN(CCC(=O)N)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000744528 [0,1,1,0,0,0|1,0,1]=4 1869 B23R2.472609 CN(CCC(=O)N)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000731001 [0,1,1,0,0,0|1,0,1]=4 1870 B23R2.509616 CCCCN(CC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000207695_100010140906 [0,1,1,0,0,0|1,0,0]=3 1871 B23R2.509616 CCCCN(CC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000207695_100010140906 [0,1,1,0,0,0|1,0,0]=3 1872 B23R2.509616 CCN(CCC#N)CCC(c1ccccc1)c2ccccc2 2230a_100000226048_100009813428 [0,1,1,0,0,0|1,0,1]=4 1873 B23R2.509616 CCN(CCOC)CCC(c1ccccc1)c2ccccc2 2230a_100000731262_100009813428 [0,1,1,0,0,0|1,0,0]=3 1874 B23R2.509616 CCN(CCOC)CCC(c1ccccc1)c2ccccc2 269982a_100000731262_100009813428 [0,1,1,0,0,0|1,0,0]=3 1875 B23R2.509616 CCN(CCOC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000731262_100010140906 [0,1,1,0,0,0|2,0,0]=4 1876 B23R2.509616 CCN(CCOC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000731262_100010140906 [0,1,1,0,0,0|2,0,0]=4 1877 B23R2.763176 C=CC(O)CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000730141 [0,1,1,0,0,0|0,0,2]=4 1878 B23R2.763176 C=CC(O)CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000730141 [0,1,1,0,0,0|0,0,2]=4 1879 B23R2.763176 CCC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000747405 [0,1,1,0,0,0|0,0,1]=3 1880 B23R2.763176 CCC(C)CN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000753921_100010140906 [0,1,1,0,0,0|1,0,0]=3 1881 B23R2.763176 CCC(C)CN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000753921_100010140906 [0,1,1,0,0,0|1,0,0]=3 1882 B23R2.763176 CCC(O)CC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100011667805_100009813428 [0,1,1,0,0,0|2,0,0]=4 1883 B23R2.763176 CCC(O)CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011218378 [0,1,1,0,0,0|0,0,0]=2 1884 B23R2.763176 CCC(O)CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011218378 [0,1,1,0,0,0|0,0,0]=2 1885 B23R2.763176 CCC(O)CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011218378 [0,1,1,0,0,0|0,0,0]=2 1886 B23R2.763176 CN(CCC(c1ccccc1)c2ccccc2)CC(O)CO 2230a_100011216503_100009813428 [0,1,1,0,0,0|1,0,0]=3 1887 B23R2.763176 CN(CCC(c1ccccc1)c2ccccc2)CC(O)CO 2230a_100025726140_100011219619 [0,1,1,0,0,0|1,0,0]=3 1888 B23R2.763176 CN(CCC(c1ccccc1)c2ccccc2)CC(O)CO 269982a_100011216503_100009813428 [0,1,1,0,0,0|1,0,0]=3 1889 B23R2.763176 CN(CCC(c1ccccc1)c2ccccc2)CC(O)CO 34a_100025726140_100011219619 [0,1,1,0,0,0|1,0,0]=3 1890 B23R2.763176 CN(CCC(c1ccccc1)c2ccccc2)C[C@@H](O)CF 2230a_100025726140_100015614560 [0,1,1,0,0,0|1,0,0]=3 1891 B23R2.763176 CN(CCC(c1ccccc1)c2ccccc2)C[C@@H](O)CF 34a_100025726140_100015614560 [0,1,1,0,0,0|1,0,0]=3 1892 B23R2.763176 CN(CCC(c1ccccc1)c2ccccc2)C[C@@H](O)CO 2230a_100025726140_100009815848 [0,1,1,0,0,0|1,0,0]=3 1893 B23R2.763176 CN(CCC(c1ccccc1)c2ccccc2)C[C@@H](O)CO 34a_100025726140_100009815848 [0,1,1,0,0,0|1,0,0]=3 1894 B23R2.763176 CN(CC[S+](c1ccccc1)c2ccccc2)CC(O)CO 2230a_100011216503_100010140906 [0,1,1,0,0,0|2,0,0]=4 1895 B23R2.763176 CN(CC[S+](c1ccccc1)c2ccccc2)CC(O)CO 269982a_100011216503_100010140906 [0,1,1,0,0,0|2,0,0]=4 1896 B23R2.763176 CNC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000189611_100009813428 [0,1,1,0,0,0|1,0,1]=4 1897 B23R2.763176 CNC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000183359 [0,1,1,0,0,0|1,0,1]=4 1898 B23R2.763176 CNC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000183359 [0,1,1,0,0,0|1,0,1]=4 1899 B23R2.763176 CNC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000183359 [0,1,1,0,0,0|1,0,1]=4 1900 B23R2.763176 COC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000198492_100009813428 [0,1,1,0,0,0|1,0,1]=4 1901 B23R2.763176 COC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000747449 [0,1,1,0,0,0|1,0,1]=4 1902 B23R2.763176 COC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000747449 [0,1,1,0,0,0|1,0,1]=4 1903 B23R2.763176 COC(=O)CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000747449 [0,1,1,0,0,0|1,0,1]=4 1904 B23R2.763176 C[C@@H](CO)CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000059175 [0,1,1,0,0,0|1,0,0]=3 1905 B23R2.763176 C[C@@H](CO)CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000059175 [0,1,1,0,0,0|1,0,0]=3 1906 B23R2.763176 C[C@@H](CO)CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000059175 [0,1,1,0,0,0|1,0,0]=3 1907 B23R2.973169 CCCCN(C)CC(=O)N(c1ccccc1)c2ccccc2 2230a_100000207549_200015198546 [0,1,1,0,0,0|1,0,1]=4 1908 B23R2.973169 CCCCN(C)CC(=O)N(c1ccccc1)c2ccccc2 269982a_100000207549_200015198546 [0,1,1,0,0,0|1,0,1]=4 1909 B23R2.35471 C#CCN(CC)C(C)CC(c1ccccc1)c2ccccc2 270004a_100000744766_200000011111 [0,1,1,0,0,0|0,0,2]=4 1910 B23R2.35471 CCCN(CC)C(=O)CC(c1ccccc1)c2ccccc2 11a_100000226822_100000499737 [0,1,1,0,0,0|0,0,1]=3 1911 B23R2.35471 CCCN(CC)C(=O)CC(c1ccccc1)c2ccccc2 1626a_100000226822_100000499737 [0,1,1,0,0,0|0,0,1]=3 1912 B23R2.35471 CCCN(CC)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100000226822_100000499737 [0,1,1,0,0,0|0,0,1]=3 1913 B23R2.35471 CCCN(CC)C(=O)CC(c1ccccc1)c2ccccc2 527a_100000226822_100000499737 [0,1,1,0,0,0|0,0,1]=3 1914 B23R2.35471 CCCN(CC)C(=O)CP(c1ccccc1)c2ccccc2 11a_100000226822_200020607205 [0,1,1,0,0,0|1,0,1]=4 1915 B23R2.35471 CCCN(CC)C(=O)CP(c1ccccc1)c2ccccc2 1626a_100000226822_200020607205 [0,1,1,0,0,0|1,0,1]=4 1916 B23R2.35471 CCCN(CC)C(=O)CP(c1ccccc1)c2ccccc2 240690a_100000226822_200020607205 [0,1,1,0,0,0|1,0,1]=4 1917 B23R2.35471 CCCN(CC)C(=O)CP(c1ccccc1)c2ccccc2 527a_100000226822_200020607205 [0,1,1,0,0,0|1,0,1]=4 1918 B23R2.35471 CCN(CCO)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100000210973_100000499737 [0,1,1,0,0,0|1,0,1]=4 1919 B23R2.35471 CCN(CCO)C(=O)CC(c1ccccc1)c2ccccc2 527a_100000210973_100000499737 [0,1,1,0,0,0|1,0,1]=4 1920 B23R2.35471 CCN(CCO)C(C)CC(c1ccccc1)c2ccccc2 270004a_100000210973_200000011111 [0,1,1,0,0,0|1,0,0]=3 1921 B23R2.63573 C=C(C)CN(CC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000211296_100010140906 [0,1,1,0,0,0|1,0,1]=4 1922 B23R2.63573 C=C(C)CN(CC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000211296_100010140906 [0,1,1,0,0,0|1,0,1]=4 1923 B23R2.63573 CCN(CC=C(c1ccccc1)c2ccccc2)C[C@H](C)O 270004a_100000729506_100000050448 [0,1,1,0,0,0|0,0,2]=4 1924 B23R2.63573 CCN(CCC(c1ccccc1)c2ccccc2)CC(=O)N 2230a_200020644421_100000210202 [0,1,1,0,0,0|1,0,1]=4 1925 B23R2.63573 CCN(CCC(c1ccccc1)c2ccccc2)CC(=O)N 269982a_200020644421_100000204670 [0,1,1,0,0,0|1,0,1]=4 1926 B23R2.63573 CCN(CCC(c1ccccc1)c2ccccc2)CC(=O)O 269956a_100000746405_100009813428 [0,1,1,0,0,0|1,0,1]=4 1927 B23R2.63573 CCN(CCC(c1ccccc1)c2ccccc2)C[C@H](C)O 2230a_100000729506_100009813428 [0,1,1,0,0,0|0,0,0]=2 1928 B23R2.63573 CCN(CCC(c1ccccc1)c2ccccc2)C[C@H](C)O 269982a_100000729506_100009813428 [0,1,1,0,0,0|0,0,0]=2 1929 B23R2.63573 CCN(CC[S+](c1ccccc1)c2ccccc2)CC(C)C 2230a_100000738554_100010140906 [0,1,1,0,0,0|1,0,0]=3 1930 B23R2.63573 CCN(CC[S+](c1ccccc1)c2ccccc2)CC(C)C 269982a_100000738554_100010140906 [0,1,1,0,0,0|1,0,0]=3 1931 B23R2.63573 CCN(CC[S+](c1ccccc1)c2ccccc2)C[C@H](C)O 2230a_100000729506_100010140906 [0,1,1,0,0,0|1,0,0]=3 1932 B23R2.63573 CCN(CC[S+](c1ccccc1)c2ccccc2)C[C@H](C)O 269982a_100000729506_100010140906 [0,1,1,0,0,0|1,0,0]=3 1933 B23R2.222941 CCCN(CC)CC(=O)N(c1ccccc1)c2ccccc2 2230a_100000226822_200015198546 [0,1,1,0,0,0|1,0,1]=4 1934 B23R2.222941 CCCN(CC)CC(=O)N(c1ccccc1)c2ccccc2 269982a_100000226822_200015198546 [0,1,1,0,0,0|1,0,1]=4 1935 B23R2.485288 CC(C)N(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100000224655_100009813428 [0,1,1,0,0,0|1,0,0]=3 1936 B23R2.485288 CC(C)N(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100000224655_100009813428 [0,1,1,0,0,0|1,0,0]=3 1937 B23R2.485288 CC(C)N(CCO)CC[S+](c1ccccc1)c2ccccc2 2230a_100000224655_100010140906 [0,1,1,0,0,0|2,0,0]=4 1938 B23R2.485288 CC(C)N(CCO)CC[S+](c1ccccc1)c2ccccc2 269982a_100000224655_100010140906 [0,1,1,0,0,0|2,0,0]=4 1939 B23R2.485288 CCCN(CC[S+](c1ccccc1)c2ccccc2)C(C)C 2230a_106256033942_100010140906 [0,1,1,0,0,0|1,0,0]=3 1940 B23R2.485288 CCCN(CC[S+](c1ccccc1)c2ccccc2)C(C)C 269982a_106256033942_100010140906 [0,1,1,0,0,0|1,0,0]=3 1941 B23R2.529032 CCCN(CC=C(c1ccccc1)c2ccccc2)CCO 270004a_100000211420_100000050448 [0,1,1,0,0,0|0,0,2]=4 1942 B23R2.529032 CCCN(CCC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000210455_100010140906 [0,1,1,0,0,0|1,0,0]=3 1943 B23R2.529032 CCCN(CCC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000210455_100010140906 [0,1,1,0,0,0|1,0,0]=3 1944 B23R2.529032 CCCN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100000211420_100009813428 [0,1,1,0,0,0|0,0,0]=2 1945 B23R2.529032 CCCN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100000211420_100009813428 [0,1,1,0,0,0|0,0,0]=2 1946 B23R2.529032 CCCN(CCO)CC[S+](c1ccccc1)c2ccccc2 2230a_100000211420_100010140906 [0,1,1,0,0,0|1,0,0]=3 1947 B23R2.529032 CCCN(CCO)CC[S+](c1ccccc1)c2ccccc2 269982a_100000211420_100010140906 [0,1,1,0,0,0|1,0,0]=3 1948 B23R2.529032 OCCN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100000210587_100009813428 [0,1,1,0,0,0|1,0,0]=3 1949 B23R2.529032 OCCN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100000210587_100009813428 [0,1,1,0,0,0|1,0,0]=3 1950 B23R2.529032 OCCN(CCO)CC[S+](c1ccccc1)c2ccccc2 2230a_100000210587_100010140906 [0,1,1,0,0,0|2,0,0]=4 1951 B23R2.529032 OCCN(CCO)CC[S+](c1ccccc1)c2ccccc2 269982a_100000210587_100010140906 [0,1,1,0,0,0|2,0,0]=4 1952 B23R2.1040931 CCC(C)N(CC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000732650_100010140906 [0,1,1,0,0,0|1,0,0]=3 1953 B23R2.1040931 CCC(C)N(CC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000732650_100010140906 [0,1,1,0,0,0|1,0,0]=3 1954 B23R2.1040931 CCN(CCC(c1ccccc1)c2ccccc2)C(C)CO 2230a_100000731049_100009813428 [0,1,1,0,0,0|1,0,0]=3 1955 B23R2.1040931 CCN(CCC(c1ccccc1)c2ccccc2)C(C)CO 269982a_100000731049_100009813428 [0,1,1,0,0,0|1,0,0]=3 1956 B23R2.1040931 CCN(CC[S+](c1ccccc1)c2ccccc2)C(C)CO 2230a_100000731049_100010140906 [0,1,1,0,0,0|2,0,0]=4 1957 B23R2.1040931 CCN(CC[S+](c1ccccc1)c2ccccc2)C(C)CO 269982a_100000731049_100010140906 [0,1,1,0,0,0|2,0,0]=4 1958 B23R3.15516 CC1CCC(CC1)NC(c2ccccc2)c3ccccc3 270004a_100000162943_100000185489 [0,1,0,0,1,0|2,0,0]=4 1959 B23R3.15516 CC1CCC(CC1)NC(c2ccccc2)c3ccccc3 34a_100000162943_200011216234 [0,1,0,0,1,0|2,0,0]=4 1960 B23R3.15516 C[C@H]1CC[C@@H](CC1)NC(c2ccccc2)c3ccccc3 2230a_100020625639_100000211591 [0,1,0,0,1,0|2,0,0]=4 1961 B23R3.15516 C[C@H]1CC[C@@H](CC1)NC(c2ccccc2)c3ccccc3 270004a_100020625639_100000210122 [0,1,0,0,1,0|2,0,0]=4 1962 B23R3.15516 OC1CCC(CC1)NC(c2ccccc2)c3ccccc3 270004a_100000162943_100000764474 [0,1,0,0,1,0|2,0,0]=4 1963 B23R3.15516 O[C@H]1CC[C@H](CC1)NC(c2ccccc2)c3ccccc3 270004a_100020628982_100000210122 [0,1,0,0,1,0|2,0,0]=4 1964 B23R3.16362 Fc1cccc(c1)C(NC2CCCCC2)c3ccccc3 270004a_100000182618_200011219850 [0,1,0,0,1,0|2,0,0]=4 1965 B23R3.16362 Fc1cccc(c1)C(NC2CCCCC2)c3ccccc3 270004a_100000686443_100000210434 [0,1,0,0,1,0|2,0,0]=4 1966 B23R3.16362 Fc1cccc(c1)C(NC2CCCCC2)c3ccccc3 34a_100000686443_100000210327 [0,1,0,0,1,0|2,0,0]=4 1967 B23R3.16468 CC1CCCC(C1)NC(c2ccccc2)c3ccccc3 2230a_100011194320_100000211591 [0,1,0,0,1,0|2,0,0]=4 1968 B23R3.16468 CC1CCCC(C1)NC(c2ccccc2)c3ccccc3 270004a_100000162943_100000183594 [0,1,0,0,1,0|2,0,0]=4 1969 B23R3.16468 CC1CCCC(C1)NC(c2ccccc2)c3ccccc3 270004a_100011194320_100000210122 [0,1,0,0,1,0|2,0,0]=4 1970 B23R3.16468 OC1CCCC(C1)NC(c2ccccc2)c3ccccc3 2230a_100015190357_100000211591 [0,1,0,0,1,0|2,0,0]=4 1971 B23R3.16468 OC1CCCC(C1)NC(c2ccccc2)c3ccccc3 270004a_100000162943_100012613340 [0,1,0,0,1,0|2,0,0]=4 1972 B23R3.16468 OC1CCCC(C1)NC(c2ccccc2)c3ccccc3 270004a_100015190357_100000210122 [0,1,0,0,1,0|2,0,0]=4 1973 B23R3.26514 CC1CCCCC1NC(c2ccccc2)c3ccccc3 2230a_100000211402_100000211591 [0,1,0,0,1,0|2,0,0]=4 1974 B23R3.26514 CC1CCCCC1NC(c2ccccc2)c3ccccc3 269862a_100000162943_100000210921 [0,1,0,0,1,0|2,0,0]=4 1975 B23R3.26514 CC1CCCCC1NC(c2ccccc2)c3ccccc3 270004a_100000162943_100000210921 [0,1,0,0,1,0|2,0,0]=4 1976 B23R3.26514 CC1CCCCC1NC(c2ccccc2)c3ccccc3 270004a_100000211402_100000210122 [0,1,0,0,1,0|2,0,0]=4 1977 B23R3.26514 FC1CCCCC1NC(c2ccccc2)c3ccccc3 34a_100000162943_100015423560 [0,1,0,0,1,0|2,0,0]=4 1978 B23R3.26514 F[C@@H]1CCCC[C@H]1NC(c2ccccc2)c3ccccc3 2230a_100015195156_100000211591 [0,1,0,0,1,0|2,0,0]=4 1979 B23R3.26514 F[C@@H]1CCCC[C@H]1NC(c2ccccc2)c3ccccc3 270004a_100015195156_100000210122 [0,1,0,0,1,0|2,0,0]=4 1980 B23R3.26514 OC1CCCCC1NC(c2ccccc2)c3ccccc3 34a_100000162943_100000038908 [0,1,0,0,1,0|2,0,0]=4 1981 B23R3.26514 OC1CCCCC1OC(c2ccccc2)c3ccccc3 34a_100000211180_100000038908 [0,1,0,0,1,0|2,0,0]=4 1982 B23R3.26514 OC1CCCCC1SC(c2ccccc2)c3ccccc3 62a_100000038908_100011216954 [0,1,0,0,1,0|2,0,0]=4 1983 B23R3.26514 OC1CCCCC1SC(c2ccccc2)c3ccccc3 62a_100000211591_100000038908 [0,1,0,0,1,0|2,0,0]=4 1984 B23R3.26514 O[C@H]1CCCC[C@H]1NC(c2ccccc2)c3ccccc3 270004a_100015191688_100000210122 [0,1,0,0,1,0|2,0,0]=4 1985 B23R3.38539 Fc1ccccc1C(NC2CCCCC2)c3ccccc3 270004a_100000182618_100011217773 [0,1,0,0,1,0|2,0,0]=4 1986 B23R3.38539 Nc1ccccc1C(OC2CCCCC2)c3ccccc3 34a_100000246470_100000210327 [0,1,0,0,1,0|2,0,0]=4 1987 B23R3.38539 Nc1ccccc1C(OC2CCCCC2)c3ccccc3 7a_100000246470_100000210327 [0,1,0,0,1,0|2,0,0]=4 1988 B23R3.68581 Fc1ccc(cc1)C(NC2CCCCC2)c3ccccc3 270004a_100000182618_100000210425 [0,1,0,0,1,0|2,0,0]=4 1989 B23R3.68581 Fc1ccc(cc1)C(NC2CCCCC2)c3ccccc3 270004a_100000737529_100000210434 [0,1,0,0,1,0|2,0,0]=4 1990 B23R3.68581 Fc1ccc(cc1)C(NC2CCCCC2)c3ccccc3 34a_100000737529_100000210327 [0,1,0,0,1,0|2,0,0]=4 1991 B23R3.68581 Nc1ccc(cc1)C(OC2CCCCC2)c3ccccc3 34a_100011236343_100000210327 [0,1,0,0,1,0|2,0,0]=4 1992 B23R3.68581 Nc1ccc(cc1)C(OC2CCCCC2)c3ccccc3 7a_100011236343_100000210327 [0,1,0,0,1,0|2,0,0]=4 1993 B23R3.68581 Oc1ccc(cc1)C(NC2CCCCC2)c3ccccc3 270004a_100000198503_100000210434 [0,1,0,0,1,0|2,0,0]=4 1994 B23R3.68581 Oc1ccc(cc1)C(NC2CCCCC2)c3ccccc3 34a_100000198503_100000210327 [0,1,0,0,1,0|2,0,0]=4 1995 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCCOC3 11a_100000131196_100000210944 [0,1,0,0,1,0|1,0,1]=4 1996 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCCOC3 240690a_100000131196_100000210944 [0,1,0,0,1,0|1,0,1]=4 1997 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCOCC3 11a_100015191051_100000210944 [0,1,0,0,1,0|1,0,1]=4 1998 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCOCC3 1626a_100015191051_100000210944 [0,1,0,0,1,0|1,0,1]=4 1999 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCOCC3 240690a_100015191051_100000210944 [0,1,0,0,1,0|1,0,1]=4 2000 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCOCC3 527a_100015191051_100000210944 [0,1,0,0,1,0|1,0,1]=4 2001 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCSCC3 11a_100000737611_100000210944 [0,1,0,0,1,0|1,0,1]=4 2002 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCSCC3 240690a_100000737611_100000210944 [0,1,0,0,1,0|1,0,1]=4 2003 B23R3.1995413 O=C(C(c1ccccc1)c2ccccc2)N3CCSCC3 527a_100000737611_100000210944 [0,1,0,0,1,0|1,0,1]=4 2004 B23R3.1995413 O=C(C1CCCCC1)C(c2ccccc2)c3ccccc3 1458a_100000210647_100011216954 [0,1,0,0,1,0|1,0,1]=4 2005 B23R3.1995413 O=C(C1CCCCC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000210327 [0,1,0,0,1,0|1,0,1]=4 2006 B23R3.5136 CC(CC(c1ccccc1)c2ccccc2)N3CCCC3 270004a_100000188435_200000011111 [0,1,0,0,1,0|0,0,0]=2 2007 B23R3.5136 CC(CC(c1ccccc1)c2ccccc2)N3CCSC3 270004a_100011215254_200000011111 [0,1,0,0,1,0|1,0,0]=3 2008 B23R3.5136 CC(NC(c1ccccc1)c2ccccc2)C3CCCC3 2230a_100015185923_100000211591 [0,1,0,0,1,0|2,0,0]=4 2009 B23R3.5136 CC(NC(c1ccccc1)c2ccccc2)C3CCCC3 269862a_100000162943_100000749594 [0,1,0,0,1,0|2,0,0]=4 2010 B23R3.5136 CC(NC(c1ccccc1)c2ccccc2)C3CCCC3 270004a_100000162943_100000749594 [0,1,0,0,1,0|2,0,0]=4 2011 B23R3.5136 CC(NC(c1ccccc1)c2ccccc2)C3CCCC3 270004a_100015185923_100000210122 [0,1,0,0,1,0|2,0,0]=4 2012 B23R3.5136 O=C(CC(c1ccccc1)c2ccccc2)C3CCCC3 1458a_100000499737_100000179811 [0,1,0,0,1,0|1,0,1]=4 2013 B23R3.5136 O=C(CC(c1ccccc1)c2ccccc2)N3CCCC3 240690a_100000188435_100000499737 [0,1,0,0,1,0|0,0,1]=3 2014 B23R3.5136 O=C(CC(c1ccccc1)c2ccccc2)N3CCCC3 527a_100000188435_100000499737 [0,1,0,0,1,0|0,0,1]=3 2015 B23R3.5136 O=C(CC(c1ccccc1)c2ccccc2)N3CCSC3 11a_100011215254_100000499737 [0,1,0,0,1,0|1,0,1]=4 2016 B23R3.5136 O=C(CC(c1ccccc1)c2ccccc2)N3CCSC3 240690a_100011215254_100000499737 [0,1,0,0,1,0|1,0,1]=4 2017 B23R3.5136 O=C(CC(c1ccccc1)c2ccccc2)N3CCSC3 527a_100011215254_100000499737 [0,1,0,0,1,0|1,0,1]=4 2018 B23R3.5136 O=C(CP(c1ccccc1)c2ccccc2)N3CCCC3 240690a_100000188435_200020607205 [0,1,0,0,1,0|1,0,1]=4 2019 B23R3.5136 O=C(CP(c1ccccc1)c2ccccc2)N3CCCC3 527a_100000188435_200020607205 [0,1,0,0,1,0|1,0,1]=4 2020 B23R3.26238 CC1CCCC1NCC(c2ccccc2)c3ccccc3 269862a_100000739227_100000752053 [0,1,0,0,1,0|2,0,0]=4 2021 B23R3.26238 CC1SCCN1CCC(c2ccccc2)c3ccccc3 2230a_200011216479_100009813428 [0,1,0,0,1,0|1,0,0]=3 2022 B23R3.26238 CC1SCCN1CCC(c2ccccc2)c3ccccc3 269982a_200011216479_100009813428 [0,1,0,0,1,0|1,0,0]=3 2023 B23R3.26238 CC1SCCN1CCC(c2ccccc2)c3ccccc3 34a_200011216479_100009813428 [0,1,0,0,1,0|1,0,0]=3 2024 B23R3.26238 CC1SCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_200011216479_100010140906 [0,1,0,0,1,0|2,0,0]=4 2025 B23R3.26238 CC1SCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_200011216479_100010140906 [0,1,0,0,1,0|2,0,0]=4 2026 B23R3.26238 C[C@@H]1CCCN1CC=C(c2ccccc2)c3ccccc3 270004a_100015189458_100000050448 [0,1,0,0,1,0|0,0,2]=4 2027 B23R3.26238 C[C@@H]1CCCN1CCC(c2ccccc2)c3ccccc3 2230a_100015189458_100009813428 [0,1,0,0,1,0|0,0,0]=2 2028 B23R3.26238 C[C@@H]1CCCN1CCC(c2ccccc2)c3ccccc3 269982a_100015189458_100009813428 [0,1,0,0,1,0|0,0,0]=2 2029 B23R3.26238 C[C@@H]1CCCN1CCC(c2ccccc2)c3ccccc3 34a_100015189458_100009813428 [0,1,0,0,1,0|0,0,0]=2 2030 B23R3.26238 C[C@@H]1CCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_100015189458_100010140906 [0,1,0,0,1,0|1,0,0]=3 2031 B23R3.26238 C[C@@H]1CCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_100015189458_100010140906 [0,1,0,0,1,0|1,0,0]=3 2032 B23R3.26238 C[C@H]1CCCN1CC=C(c2ccccc2)c3ccccc3 270004a_100020605311_100000050448 [0,1,0,0,1,0|0,0,2]=4 2033 B23R3.26238 C[C@H]1CCCN1CCC(c2ccccc2)c3ccccc3 2230a_100020605311_100009813428 [0,1,0,0,1,0|0,0,0]=2 2034 B23R3.26238 C[C@H]1CCCN1CCC(c2ccccc2)c3ccccc3 269982a_100020605311_100009813428 [0,1,0,0,1,0|0,0,0]=2 2035 B23R3.26238 C[C@H]1CCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_100020605311_100010140906 [0,1,0,0,1,0|1,0,0]=3 2036 B23R3.26238 C[C@H]1CCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_100020605311_100010140906 [0,1,0,0,1,0|1,0,0]=3 2037 B23R3.26238 O=C1CCCN1CSC(c2ccccc2)c3ccccc3 62a_100000026320_100011216954 [0,1,0,0,1,0|1,0,1]=4 2038 B23R3.26238 O=C1CCCN1CSC(c2ccccc2)c3ccccc3 62a_100000211591_100000026320 [0,1,0,0,1,0|1,0,1]=4 2039 B23R3.51183 CN(CC1CCCC1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100000740388 [0,1,0,0,1,0|2,0,0]=4 2040 B23R3.51183 CN(CC1CCCC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000740388 [0,1,0,0,1,0|2,0,0]=4 2041 B23R3.51183 O=C(CC1CCCC1)C(c2ccccc2)c3ccccc3 1458a_100000210891_100011216954 [0,1,0,0,1,0|1,0,1]=4 2042 B23R3.51183 O=C(CC1CCCC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000740388 [0,1,0,0,1,0|1,0,1]=4 2043 B23R3.51183 O=C(CN1CCCC1)C(c2ccccc2)c3ccccc3 1458a_100000740243_100011216954 [0,1,0,0,1,0|0,0,1]=3 2044 B23R3.51183 O=C(CN1CCCC1)N(c2ccccc2)c3ccccc3 2230a_100000188435_200015198546 [0,1,0,0,1,0|1,0,1]=4 2045 B23R3.51183 O=C(CN1CCCC1)N(c2ccccc2)c3ccccc3 269982a_100000188435_200015198546 [0,1,0,0,1,0|1,0,1]=4 2046 B23R3.111056 CC1CCC(C1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100011215218 [0,1,0,0,1,0|2,0,0]=4 2047 B23R3.111056 C[C@@H]1CCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100016987628_100000050448 [0,1,0,0,1,0|0,0,2]=4 2048 B23R3.111056 C[C@@H]1CCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100016987628_100009813428 [0,1,0,0,1,0|0,0,0]=2 2049 B23R3.111056 C[C@@H]1CCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100016987628_100009813428 [0,1,0,0,1,0|0,0,0]=2 2050 B23R3.111056 C[C@@H]1CCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100016987628_100009813428 [0,1,0,0,1,0|0,0,0]=2 2051 B23R3.111056 C[C@@H]1CCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100016987628_100010140906 [0,1,0,0,1,0|1,0,0]=3 2052 B23R3.111056 C[C@@H]1CCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100016987628_100010140906 [0,1,0,0,1,0|1,0,0]=3 2053 B23R3.111056 F[C@H]1CCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100015203821_100000050448 [0,1,0,0,1,0|0,0,2]=4 2054 B23R3.111056 F[C@H]1CCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100015203821_100009813428 [0,1,0,0,1,0|0,0,0]=2 2055 B23R3.111056 F[C@H]1CCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100015203821_100009813428 [0,1,0,0,1,0|0,0,0]=2 2056 B23R3.111056 F[C@H]1CCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100015203821_100009813428 [0,1,0,0,1,0|0,0,0]=2 2057 B23R3.111056 F[C@H]1CCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015203821_100010140906 [0,1,0,0,1,0|1,0,0]=3 2058 B23R3.111056 F[C@H]1CCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015203821_100010140906 [0,1,0,0,1,0|1,0,0]=3 2059 B23R3.111056 O=C1CN(CN1)CCC(c2ccccc2)c3ccccc3 2230a_200000708111_100009813428 [0,1,0,0,1,0|1,0,1]=4 2060 B23R3.111056 OC1CCC(C1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100012614533 [0,1,0,0,1,0|2,0,0]=4 2061 B23R3.111056 OC1CCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100011215560_100000050448 [0,1,0,0,1,0|0,0,2]=4 2062 B23R3.111056 OC1CCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100011215560_100009813428 [0,1,0,0,1,0|0,0,0]=2 2063 B23R3.111056 OC1CCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100011215560_100009813428 [0,1,0,0,1,0|0,0,0]=2 2064 B23R3.111056 OC1CCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100011215560_100010140906 [0,1,0,0,1,0|1,0,0]=3 2065 B23R3.111056 OC1CCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100011215560_100010140906 [0,1,0,0,1,0|1,0,0]=3 2066 B23R3.136526 Cc1cccc(c1)C(NCC2CCCC2)c3ccccc3 270004a_100000737975_100011217825 [0,1,0,0,1,0|2,0,0]=4 2067 B23R3.136526 Fc1cccc(c1)C(NCC2CCCC2)c3ccccc3 2230a_100000686443_100000740388 [0,1,0,0,1,0|2,0,0]=4 2068 B23R3.136526 Fc1cccc(c1)C(NCC2CCCC2)c3ccccc3 269862a_100000686443_100000746403 [0,1,0,0,1,0|2,0,0]=4 2069 B23R3.136526 Fc1cccc(c1)C(NCC2CCCC2)c3ccccc3 270004a_100000737975_200011219850 [0,1,0,0,1,0|2,0,0]=4 2070 B23R3.136526 Fc1cccc(c1)C(NCC2CCCC2)c3ccccc3 34a_100000686443_100000740388 [0,1,0,0,1,0|2,0,0]=4 2071 B23R3.155183 Cc1ccccc1C(NCC2CCCC2)c3ccccc3 2230a_100000222801_100000740388 [0,1,0,0,1,0|2,0,0]=4 2072 B23R3.155183 Cc1ccccc1C(NCC2CCCC2)c3ccccc3 2230a_100000737975_100000230135 [0,1,0,0,1,0|2,0,0]=4 2073 B23R3.155183 Cc1ccccc1C(NCC2CCCC2)c3ccccc3 269862a_100000222801_100000746403 [0,1,0,0,1,0|2,0,0]=4 2074 B23R3.155183 Cc1ccccc1C(NCC2CCCC2)c3ccccc3 270004a_100000737975_100000735561 [0,1,0,0,1,0|2,0,0]=4 2075 B23R3.155183 Cc1ccccc1C(NCC2CCCC2)c3ccccc3 34a_100000222801_100000740388 [0,1,0,0,1,0|2,0,0]=4 2076 B23R3.155183 Fc1ccccc1C(NCC2CCCC2)c3ccccc3 270004a_100000737975_100011217773 [0,1,0,0,1,0|2,0,0]=4 2077 B23R3.155183 Nc1ccccc1C(OCC2CCCC2)c3ccccc3 34a_100000246470_100000740388 [0,1,0,0,1,0|2,0,0]=4 2078 B23R3.155183 Nc1ccccc1C(OCC2CCCC2)c3ccccc3 7a_100000246470_100000740388 [0,1,0,0,1,0|2,0,0]=4 2079 B23R3.1300508 Cc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 2230a_100000736602_100000740388 [0,1,0,0,1,0|2,0,0]=4 2080 B23R3.1300508 Cc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 269862a_100000736602_100000746403 [0,1,0,0,1,0|2,0,0]=4 2081 B23R3.1300508 Cc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 270004a_100000737975_100000210966 [0,1,0,0,1,0|2,0,0]=4 2082 B23R3.1300508 Cc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 34a_100000736602_100000740388 [0,1,0,0,1,0|2,0,0]=4 2083 B23R3.1300508 Fc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 2230a_100000737529_100000740388 [0,1,0,0,1,0|2,0,0]=4 2084 B23R3.1300508 Fc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 269862a_100000737529_100000746403 [0,1,0,0,1,0|2,0,0]=4 2085 B23R3.1300508 Fc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 270004a_100000737975_100000210425 [0,1,0,0,1,0|2,0,0]=4 2086 B23R3.1300508 Fc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 34a_100000737529_100000740388 [0,1,0,0,1,0|2,0,0]=4 2087 B23R3.1300508 Nc1ccc(cc1)C(OCC2CCCC2)c3ccccc3 34a_100011236343_100000740388 [0,1,0,0,1,0|2,0,0]=4 2088 B23R3.1300508 Nc1ccc(cc1)C(OCC2CCCC2)c3ccccc3 7a_100011236343_100000740388 [0,1,0,0,1,0|2,0,0]=4 2089 B23R3.1300508 Oc1ccc(cc1)C(NCC2CCCC2)c3ccccc3 34a_100000198503_100000740388 [0,1,0,0,1,0|2,0,0]=4 2090 B23R3.1958141 CC(CNC1CCCC1)(c2ccccc2)c3ccccc3 2230a_100000706881_100000179811 [0,1,0,0,1,0|2,0,0]=4 2091 B23R3.1958141 CC(CNC1CCCC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100000210133 [0,1,0,0,1,0|2,0,0]=4 2092 B23R3.10076806 OC1(CCCC1)CNC(c2ccccc2)c3ccccc3 2230a_100000737848_100000211591 [0,1,0,0,1,0|2,0,0]=4 2093 B23R3.10076806 OC1(CCCC1)CNC(c2ccccc2)c3ccccc3 270004a_100000737848_100000210122 [0,1,0,0,1,0|2,0,0]=4 2094 B25R3.25151 CC1CCCN(C1)CCN(Cc2ccccc2)c3ccccc3 2230a_100000188819_100000766211 [0,1,0,0,0,1|1,0,0]=3 2095 B25R3.25151 CC1CCCN(C1)CCN(Cc2ccccc2)c3ccccc3 269982a_100000188819_100000766211 [0,1,0,0,0,1|1,0,0]=3 2096 B25R3.25151 CC1CCCN(C1)CCN(Cc2ccccc2)c3ccccc3 34a_100000188819_100000766211 [0,1,0,0,0,1|1,0,0]=3 2097 B25R3.25239 Brc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 2230a_100000224063_100000739454 [0,1,0,0,0,1|1,0,0]=3 2098 B25R3.25239 Brc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 269982a_100000224063_100000739454 [0,1,0,0,0,1|1,0,0]=3 2099 B25R3.25239 Brc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 34a_100000224063_100000739454 [0,1,0,0,0,1|1,0,0]=3 2100 B25R3.25239 Brc1cccc(c1)N(CCN2CCOCC2)Cc3ccccc3 2230a_100000224063_100025781966 [0,1,0,0,0,1|2,0,0]=4 2101 B25R3.25239 Brc1cccc(c1)N(CCN2CCOCC2)Cc3ccccc3 269982a_100000224063_100000753993 [0,1,0,0,0,1|2,0,0]=4 2102 B25R3.25239 Cc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 2230a_100000185206_100000739454 [0,1,0,0,0,1|1,0,0]=3 2103 B25R3.25239 Cc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 269982a_100000185206_100000739454 [0,1,0,0,0,1|1,0,0]=3 2104 B25R3.25239 Cc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 34a_100000185206_100000739454 [0,1,0,0,0,1|1,0,0]=3 2105 B25R3.25239 Cc1cccc(c1)N(CCN2CCOCC2)Cc3ccccc3 2230a_100000185206_100025781966 [0,1,0,0,0,1|2,0,0]=4 2106 B25R3.25239 Cc1cccc(c1)N(CCN2CCOCC2)Cc3ccccc3 269982a_100000185206_100000753993 [0,1,0,0,0,1|2,0,0]=4 2107 B25R3.25239 Clc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 2230a_100102953027_100000739454 [0,1,0,0,0,1|1,0,0]=3 2108 B25R3.25239 Clc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 269982a_100102953027_100000739454 [0,1,0,0,0,1|1,0,0]=3 2109 B25R3.25239 Clc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 34a_100102953027_100000739454 [0,1,0,0,0,1|1,0,0]=3 2110 B25R3.25239 Clc1cccc(c1)N(CCN2CCOCC2)Cc3ccccc3 2230a_100102953027_100025781966 [0,1,0,0,0,1|2,0,0]=4 2111 B25R3.25239 Clc1cccc(c1)N(CCN2CCOCC2)Cc3ccccc3 269982a_100102953027_100000753993 [0,1,0,0,0,1|2,0,0]=4 2112 B25R3.25239 Fc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 2230a_100102952868_100000739454 [0,1,0,0,0,1|1,0,0]=3 2113 B25R3.25239 Fc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 269982a_100102952868_100000739454 [0,1,0,0,0,1|1,0,0]=3 2114 B25R3.25239 Fc1cccc(c1)N(CCN2CCCCC2)Cc3ccccc3 34a_100102952868_100000739454 [0,1,0,0,0,1|1,0,0]=3 2115 B25R3.25239 Fc1cccc(c1)N(CCN2CCOCC2)Cc3ccccc3 2230a_100102952868_100025781966 [0,1,0,0,0,1|2,0,0]=4 2116 B25R3.25239 Fc1cccc(c1)N(CCN2CCOCC2)Cc3ccccc3 269982a_100102952868_100000753993 [0,1,0,0,0,1|2,0,0]=4 2117 B25R3.26011 Cc1ccccc1N(CCN2CCCCC2)Cc3ccccc3 2230a_100102946366_100000739454 [0,1,0,0,0,1|1,0,0]=3 2118 B25R3.26011 Cc1ccccc1N(CCN2CCCCC2)Cc3ccccc3 269982a_100102946366_100000739454 [0,1,0,0,0,1|1,0,0]=3 2119 B25R3.26011 Cc1ccccc1N(CCN2CCCCC2)Cc3ccccc3 34a_100102946366_100000739454 [0,1,0,0,0,1|1,0,0]=3 2120 B25R3.26011 Cc1ccccc1N(CCN2CCOCC2)Cc3ccccc3 2230a_100102946366_100025781966 [0,1,0,0,0,1|2,0,0]=4 2121 B25R3.26011 Cc1ccccc1N(CCN2CCOCC2)Cc3ccccc3 269982a_100102946366_100000753993 [0,1,0,0,0,1|2,0,0]=4 2122 B25R3.26011 Fc1ccccc1N(CCN2CCCCC2)Cc3ccccc3 2230a_100025753533_100000739454 [0,1,0,0,0,1|1,0,0]=3 2123 B25R3.26011 Fc1ccccc1N(CCN2CCCCC2)Cc3ccccc3 269982a_100025753533_100000739454 [0,1,0,0,0,1|1,0,0]=3 2124 B25R3.26011 Fc1ccccc1N(CCN2CCCCC2)Cc3ccccc3 34a_100025753533_100000739454 [0,1,0,0,0,1|1,0,0]=3 2125 B25R3.26011 Fc1ccccc1N(CCN2CCOCC2)Cc3ccccc3 2230a_100025753533_100025781966 [0,1,0,0,0,1|2,0,0]=4 2126 B25R3.26011 Fc1ccccc1N(CCN2CCOCC2)Cc3ccccc3 269982a_100025753533_100000753993 [0,1,0,0,0,1|2,0,0]=4 2127 B25R3.45367 Fc1ccccc1CN(CCN2CCCCC2)c3ccccc3 2230a_100000224004_100000739454 [0,1,0,0,0,1|1,0,0]=3 2128 B25R3.45367 Fc1ccccc1CN(CCN2CCCCC2)c3ccccc3 269982a_100000224004_100000739454 [0,1,0,0,0,1|1,0,0]=3 2129 B25R3.45367 Fc1ccccc1CN(CCN2CCCCC2)c3ccccc3 34a_100000224004_100000739454 [0,1,0,0,0,1|1,0,0]=3 2130 B25R3.45367 Fc1ccccc1CN(CCN2CCOCC2)c3ccccc3 2230a_100000224004_100025781966 [0,1,0,0,0,1|2,0,0]=4 2131 B25R3.45367 Fc1ccccc1CN(CCN2CCOCC2)c3ccccc3 269982a_100000224004_100000753993 [0,1,0,0,0,1|2,0,0]=4 2132 B25R3.82774 CC(CN1CCCCC1)N(Cc2ccccc2)c3ccccc3 269982a_100000188819_100009831500 [0,1,0,0,0,1|1,0,0]=3 2133 B25R3.82774 O=C(CN1CCCCC1)N(Cc2ccccc2)c3ccccc3 11a_100000188819_100000740322 [0,1,0,0,0,1|1,0,1]=4 2134 B25R3.82774 O=C(CN1CCCCC1)N(Cc2ccccc2)c3ccccc3 22a_100000188819_100000740322 [0,1,0,0,0,1|1,0,1]=4 2135 B25R3.83042 O=C(CN(Cc1ccccc1)c2ccccc2)N3CCCCC3 2230a_100000188819_100000183409 [0,1,0,0,0,1|1,0,1]=4 2136 B25R3.83042 O=C(CN(Cc1ccccc1)c2ccccc2)N3CCCCC3 269982a_100000188819_100000183409 [0,1,0,0,0,1|1,0,1]=4 2137 B25R3.83042 O=C(CN(Cc1ccccc1)c2ccccc2)N3CCCCC3 34a_100000188819_100000183409 [0,1,0,0,0,1|1,0,1]=4 2138 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 2230a_100000187040_100000739454 [0,1,0,0,0,1|1,0,0]=3 2139 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 269982a_100000187040_100000739454 [0,1,0,0,0,1|1,0,0]=3 2140 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 34a_100000187040_100000739454 [0,1,0,0,0,1|1,0,0]=3 2141 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccn3 2230a_100000238286_100000739454 [0,1,0,0,0,1|2,0,0]=4 2142 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccn3 269982a_100000238286_100000739454 [0,1,0,0,0,1|2,0,0]=4 2143 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccn3 34a_100000238286_100000739454 [0,1,0,0,0,1|2,0,0]=4 2144 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3cccnc3 2230a_100000189165_100000739454 [0,1,0,0,0,1|2,0,0]=4 2145 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3cccnc3 269982a_100000189165_100000739454 [0,1,0,0,0,1|2,0,0]=4 2146 B25R3.114826 Brc1ccc(cc1)N(CCN2CCCCC2)Cc3cccnc3 34a_100000189165_100000739454 [0,1,0,0,0,1|2,0,0]=4 2147 B25R3.114826 Brc1ccc(cc1)N(CCN2CCOCC2)Cc3ccccc3 2230a_100000187040_100025781966 [0,1,0,0,0,1|2,0,0]=4 2148 B25R3.114826 Brc1ccc(cc1)N(CCN2CCOCC2)Cc3ccccc3 269982a_100000187040_100000753993 [0,1,0,0,0,1|2,0,0]=4 2149 B25R3.114826 Cc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 2230a_100000185259_100000739454 [0,1,0,0,0,1|1,0,0]=3 2150 B25R3.114826 Cc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 269982a_100000185259_100000739454 [0,1,0,0,0,1|1,0,0]=3 2151 B25R3.114826 Cc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 34a_100000185259_100000739454 [0,1,0,0,0,1|1,0,0]=3 2152 B25R3.114826 Cc1ccc(cc1)N(CCN2CCOCC2)Cc3ccccc3 2230a_100000185259_100025781966 [0,1,0,0,0,1|2,0,0]=4 2153 B25R3.114826 Cc1ccc(cc1)N(CCN2CCOCC2)Cc3ccccc3 269982a_100000185259_100000753993 [0,1,0,0,0,1|2,0,0]=4 2154 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 2230a_100000187391_100000739454 [0,1,0,0,0,1|1,0,0]=3 2155 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 269982a_100000187391_100000739454 [0,1,0,0,0,1|1,0,0]=3 2156 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 34a_100000187391_100000739454 [0,1,0,0,0,1|1,0,0]=3 2157 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccn3 2230a_100000742532_100000739454 [0,1,0,0,0,1|2,0,0]=4 2158 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccn3 269982a_100000742532_100000739454 [0,1,0,0,0,1|2,0,0]=4 2159 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccn3 34a_100000742532_100000739454 [0,1,0,0,0,1|2,0,0]=4 2160 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3cccnc3 2230a_100000187240_100000739454 [0,1,0,0,0,1|2,0,0]=4 2161 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3cccnc3 269982a_100000187240_100000739454 [0,1,0,0,0,1|2,0,0]=4 2162 B25R3.114826 Clc1ccc(cc1)N(CCN2CCCCC2)Cc3cccnc3 34a_100000187240_100000739454 [0,1,0,0,0,1|2,0,0]=4 2163 B25R3.114826 Clc1ccc(cc1)N(CCN2CCOCC2)Cc3ccccc3 2230a_100000187391_100025781966 [0,1,0,0,0,1|2,0,0]=4 2164 B25R3.114826 Clc1ccc(cc1)N(CCN2CCOCC2)Cc3ccccc3 269982a_100000187391_100000753993 [0,1,0,0,0,1|2,0,0]=4 2165 B25R3.114826 Oc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 269982a_200000188756_100000739454 [0,1,0,0,0,1|1,0,0]=3 2166 B25R3.114826 Oc1ccc(cc1)N(CCN2CCCCC2)Cc3ccccc3 34a_200000188756_100000739454 [0,1,0,0,0,1|1,0,0]=3 2167 B25R3.114826 Oc1ccc(cc1)N(CCN2CCOCC2)Cc3ccccc3 269982a_200000188756_100000753993 [0,1,0,0,0,1|2,0,0]=4 2168 B25R3.114846 CN1CCN(CC1)CCN(Cc2ccccc2)c3ccccc3 269982a_100000188819_100000694902 [0,1,0,0,0,1|2,0,0]=4 2169 B25R3.2109392 O=C(c1ccccc1)C(NCC2CCCCC2)c3ccccc3 2230a_100000210473_100000211254 [0,1,0,0,0,1|2,0,0]=4 2170 B25R3.2109392 O[C@@H](c1ccccc1)[C@H](NCC2CCCCC2)c3ccccc3 2230a_100000765503_100000211423 [0,1,0,0,0,1|2,0,0]=4 2171 B25R3.2109392 O[C@@H](c1ccccc1)[C@H](NCC2CCCCC2)c3ccccc3 269862a_100000765503_100000211278 [0,1,0,0,0,1|2,0,0]=4 2172 B25R3.20636 CC(NCC(c1ccccc1)c2ccccc2)C3CCCCN3 269862a_100000739227_200011997754 [0,1,0,0,0,1|2,0,0]=4 2173 B25R3.20636 CC(NCC(c1ccccc1)c2ccccc2)C3CCCNC3 269862a_100000739227_100011320585 [0,1,0,0,0,1|2,0,0]=4 2174 B25R3.20636 CC(NCC(c1ccccc1)c2ccccc2)C3CCNCC3 269862a_100000739227_100015204191 [0,1,0,0,0,1|2,0,0]=4 2175 B25R3.20636 CC(NCC(c1ccccc1)c2ccccc2)C3CCOCC3 269862a_100000739227_100000759496 [0,1,0,0,0,1|2,0,0]=4 2176 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCCOC3 269982a_100025726140_100000693364 [0,1,0,0,0,1|2,0,0]=4 2177 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCCOC3 270004a_100025726140_100000753404 [0,1,0,0,0,1|2,0,0]=4 2178 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCCOC3 34a_100025726140_100000693364 [0,1,0,0,0,1|2,0,0]=4 2179 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCNCC3 270004a_100025726140_100015192401 [0,1,0,0,0,1|2,0,0]=4 2180 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCOCC3 2230a_100020587155_100009813428 [0,1,0,0,0,1|2,0,0]=4 2181 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCOCC3 269982a_100020587155_100009813428 [0,1,0,0,0,1|2,0,0]=4 2182 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCOCC3 269982a_100025726140_100011324220 [0,1,0,0,0,1|2,0,0]=4 2183 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCOCC3 270004a_100025726140_100011217826 [0,1,0,0,0,1|2,0,0]=4 2184 B25R3.20636 CN(CCC(c1ccccc1)c2ccccc2)C3CCOCC3 34a_100020587155_100009813428 [0,1,0,0,0,1|2,0,0]=4 2185 B25R3.20636 CN(CC[S+](c1ccccc1)c2ccccc2)C3CCCCC3 2230a_100000207522_100010140906 [0,1,0,0,0,1|2,0,0]=4 2186 B25R3.20636 CN(CC[S+](c1ccccc1)c2ccccc2)C3CCCCC3 269982a_100000207522_100010140906 [0,1,0,0,0,1|2,0,0]=4 2187 B25R3.20636 O=C(CCC(c1ccccc1)c2ccccc2)C3CCCCO3 1458a_100000748299_100009813428 [0,1,0,0,0,1|2,0,0]=4 2188 B25R3.20636 O=C(CCC(c1ccccc1)c2ccccc2)C3CCCOC3 1458a_100000741522_100009813428 [0,1,0,0,0,1|2,0,0]=4 2189 B25R3.20636 O=C(CCC(c1ccccc1)c2ccccc2)C3CCOCC3 1458a_100000195482_100009813428 [0,1,0,0,0,1|2,0,0]=4 2190 B25R3.20636 O=C(CCP(c1ccccc1)c2ccccc2)C3CCCCC3 1458a_100020644332_100000210327 [0,1,0,0,0,1|2,0,0]=4 2191 B25R3.20636 O=C(CCP(c1ccccc1)c2ccccc2)N3CCCOC3 240690a_100000131196_100020644332 [0,1,0,0,0,1|2,0,0]=4 2192 B25R3.20636 O=C(CCP(c1ccccc1)c2ccccc2)N3CCOCC3 1626a_100015191051_100020644332 [0,1,0,0,0,1|2,0,0]=4 2193 B25R3.20636 O=C(CCP(c1ccccc1)c2ccccc2)N3CCOCC3 240690a_100015191051_100020644332 [0,1,0,0,0,1|2,0,0]=4 2194 B25R3.20636 O=C(CCP(c1ccccc1)c2ccccc2)N3CCSCC3 240690a_100000737611_100020644332 [0,1,0,0,0,1|2,0,0]=4 2195 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)C3CCCCC3 2230a_100000162943_100000241979 [0,1,0,0,0,1|1,0,1]=4 2196 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)C3CCCCC3 34a_100000162943_100000241979 [0,1,0,0,0,1|1,0,1]=4 2197 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)N3CCCCC3 2230a_100000162943_100000183409 [0,1,0,0,0,1|0,0,1]=3 2198 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)N3CCCCC3 2230a_100000751303_100000211591 [0,1,0,0,0,1|0,0,1]=3 2199 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)N3CCCCC3 270004a_100000751303_100000210122 [0,1,0,0,0,1|0,0,1]=3 2200 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)N3CCCCC3 34a_100000162943_100000183409 [0,1,0,0,0,1|0,0,1]=3 2201 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)N3CCOCC3 2230a_100000162943_100000183410 [0,1,0,0,0,1|1,0,1]=4 2202 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)N3CCOCC3 2230a_100000697423_100000211591 [0,1,0,0,0,1|1,0,1]=4 2203 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)N3CCOCC3 270004a_100000697423_100000210122 [0,1,0,0,0,1|1,0,1]=4 2204 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccc2)N3CCOCC3 34a_100000162943_100000183410 [0,1,0,0,0,1|1,0,1]=4 2205 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccn2)N3CCCCC3 2230a_100000689936_100000183409 [0,1,0,0,0,1|1,0,1]=4 2206 B25R3.20636 O=C(CNC(c1ccccc1)c2ccccn2)N3CCCCC3 270004a_100000751303_100000210380 [0,1,0,0,0,1|1,0,1]=4 2207 B25R3.20636 O=C(CNC(c1ccccc1)c2cccnc2)N3CCCCC3 2230a_100011232609_100000183409 [0,1,0,0,0,1|1,0,1]=4 2208 B25R3.20636 O=C(CNC(c1ccccc1)c2cccnc2)N3CCCCC3 270004a_100000751303_100000735413 [0,1,0,0,0,1|1,0,1]=4 2209 B25R3.20636 O=C(CNC(c1ccccc1)c2ccncc2)N3CCCCC3 2230a_100025760769_100000183409 [0,1,0,0,0,1|1,0,1]=4 2210 B25R3.20636 O=C(COC(c1ccccc1)c2ccccc2)C3CCCCC3 34a_100000211180_100000241979 [0,1,0,0,0,1|1,0,1]=4 2211 B25R3.20636 O=C(COC(c1ccccc1)c2ccccc2)C3CCCCC3 7a_100000211180_100000241979 [0,1,0,0,0,1|1,0,1]=4 2212 B25R3.20636 O=C(COC(c1ccccc1)c2ccccc2)N3CCCCC3 34a_100000211180_100000183409 [0,1,0,0,0,1|0,0,1]=3 2213 B25R3.20636 O=C(COC(c1ccccc1)c2ccccc2)N3CCCCC3 7a_100000211180_100000183409 [0,1,0,0,0,1|0,0,1]=3 2214 B25R3.20636 O=C(COC(c1ccccc1)c2ccccc2)N3CCCCC3 7a_100011315646_100011216954 [0,1,0,0,0,1|0,0,1]=3 2215 B25R3.20636 O=C(COC(c1ccccc1)c2ccccc2)N3CCOCC3 34a_100000211180_100000183410 [0,1,0,0,0,1|1,0,1]=4 2216 B25R3.20636 O=C(COC(c1ccccc1)c2ccccc2)N3CCOCC3 7a_100000211180_100000183410 [0,1,0,0,0,1|1,0,1]=4 2217 B25R3.20636 O=C(COC(c1ccccc1)c2ccccc2)N3CCOCC3 7a_100000752472_100011216954 [0,1,0,0,0,1|1,0,1]=4 2218 B25R3.20636 O=C(COC(c1ccccc1)c2ccccn2)N3CCCCC3 7a_100000180852_100000183409 [0,1,0,0,0,1|1,0,1]=4 2219 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCCCC3 62a_100000183409_100011216954 [0,1,0,0,0,1|0,0,1]=3 2220 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCCCC3 62a_100000211591_100000183409 [0,1,0,0,0,1|0,0,1]=3 2221 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCCOC3 11a_100000131196_100000683935 [0,1,0,0,0,1|1,0,1]=4 2222 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCCOC3 240690a_100000131196_100000683935 [0,1,0,0,0,1|1,0,1]=4 2223 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCOCC3 11a_100015191051_100000683935 [0,1,0,0,0,1|1,0,1]=4 2224 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCOCC3 1626a_100015191051_100000683935 [0,1,0,0,0,1|1,0,1]=4 2225 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCOCC3 240690a_100015191051_100000683935 [0,1,0,0,0,1|1,0,1]=4 2226 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCOCC3 527a_100015191051_100000683935 [0,1,0,0,0,1|1,0,1]=4 2227 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCOCC3 62a_100000183410_100011216954 [0,1,0,0,0,1|1,0,1]=4 2228 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCOCC3 62a_100000211591_100000183410 [0,1,0,0,0,1|1,0,1]=4 2229 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCSCC3 11a_100000737611_100000683935 [0,1,0,0,0,1|1,0,1]=4 2230 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCSCC3 240690a_100000737611_100000683935 [0,1,0,0,0,1|1,0,1]=4 2231 B25R3.20636 O=C(CSC(c1ccccc1)c2ccccc2)N3CCSCC3 527a_100000737611_100000683935 [0,1,0,0,0,1|1,0,1]=4 2232 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)C3CCCCC3 1626a_100000739227_100000210647 [0,1,0,0,0,1|1,0,1]=4 2233 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)C3CCCCC3 240690a_100000739227_100000210647 [0,1,0,0,0,1|1,0,1]=4 2234 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)C3CCCCC3 527a_100000739227_100000210647 [0,1,0,0,0,1|1,0,1]=4 2235 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)N3CCCOC3 2708a_100000739227_100000131196 [0,1,0,0,0,1|1,0,1]=4 2236 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)N3CCCOC3 273464a_100000739227_100000131196 [0,1,0,0,0,1|1,0,1]=4 2237 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)N3CCOCC3 2708a_100000739227_100015191051 [0,1,0,0,0,1|1,0,1]=4 2238 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)N3CCOCC3 273464a_100000739227_100015191051 [0,1,0,0,0,1|1,0,1]=4 2239 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)N3CCSCC3 2708a_100000739227_100000737611 [0,1,0,0,0,1|1,0,1]=4 2240 B25R3.20636 O=C(NCC(c1ccccc1)c2ccccc2)N3CCSCC3 273464a_100000739227_100000737611 [0,1,0,0,0,1|1,0,1]=4 2241 B25R3.25375 CC1=CCCN(C1)CCOC(c2ccccc2)c3ccccc3 2230a_100000725631_100000734929 [0,1,0,0,0,1|0,0,2]=4 2242 B25R3.25375 CC1=CCCN(C1)CCOC(c2ccccc2)c3ccccc3 269982a_100000725631_100000734929 [0,1,0,0,0,1|0,0,2]=4 2243 B25R3.25375 CC1=CCCN(C1)CCOC(c2ccccc2)c3ccccc3 34a_100000725631_100000734929 [0,1,0,0,0,1|0,0,2]=4 2244 B25R3.25375 CC1CC(CCO1)NCCC(c2ccccc2)c3ccccc3 270004a_100000272388_100000755752 [0,1,0,0,0,1|2,0,0]=4 2245 B25R3.25375 CC1CC(CCO1)OCCC(c2ccccc2)c3ccccc3 34a_100011986385_100009813428 [0,1,0,0,0,1|2,0,0]=4 2246 B25R3.25375 CC1CC(CCO1)OCCC(c2ccccc2)c3ccccc3 7a_100011986385_100009813428 [0,1,0,0,0,1|2,0,0]=4 2247 B25R3.25375 CC1CCCC(C1)NCCP(c2ccccc2)c3ccccc3 270004a_107094377242_100000183594 [0,1,0,0,0,1|2,0,0]=4 2248 B25R3.25375 CC1CCCC(C1)NCC[S+](c2ccccc2)c3ccccc3 2230a_100011194320_100010140906 [0,1,0,0,0,1|2,0,0]=4 2249 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3ccccc3 2230a_100000162943_100000766211 [0,1,0,0,0,1|0,0,0]=2 2250 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3ccccc3 2230a_100000739826_100000211591 [0,1,0,0,0,1|0,0,0]=2 2251 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3ccccc3 270004a_100000739826_100000210122 [0,1,0,0,0,1|0,0,0]=2 2252 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3ccccc3 34a_100000162943_100000766211 [0,1,0,0,0,1|0,0,0]=2 2253 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3ccccn3 2230a_100000689936_100000766211 [0,1,0,0,0,1|1,0,0]=3 2254 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3ccccn3 270004a_100000739826_100000210380 [0,1,0,0,0,1|1,0,0]=3 2255 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3cccnc3 2230a_100011232609_100000766211 [0,1,0,0,0,1|1,0,0]=3 2256 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3cccnc3 270004a_100000739826_100000735413 [0,1,0,0,0,1|1,0,0]=3 2257 B25R3.25375 CC1CCCN(C1)CCNC(c2ccccc2)c3ccncc3 2230a_100025760769_100000766211 [0,1,0,0,0,1|1,0,0]=3 2258 B25R3.25375 CC1CCCN(C1)CCNC(c2cccnc2)c3ccccn3 270004a_100000739826_100011376182 [0,1,0,0,0,1|2,0,0]=4 2259 B25R3.25375 CC1CCCN(C1)CCNC(c2cccnc2)c3cccnc3 270004a_100000739826_200011376183 [0,1,0,0,0,1|2,0,0]=4 2260 B25R3.25375 CC1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 34a_100000211180_100000766211 [0,1,0,0,0,1|0,0,0]=2 2261 B25R3.25375 CC1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 7a_100000211180_100000766211 [0,1,0,0,0,1|0,0,0]=2 2262 B25R3.25375 CC1CCCN(C1)CCOC(c2ccccc2)c3ccccn3 7a_100000180852_100000766211 [0,1,0,0,0,1|1,0,0]=3 2263 B25R3.25375 CC1CN(CCO1)CCOC(c2ccccc2)c3ccccc3 2230a_100000729577_100000734929 [0,1,0,0,0,1|1,0,0]=3 2264 B25R3.25375 CC1CN(CCO1)CCOC(c2ccccc2)c3ccccc3 269982a_100000729577_100000734929 [0,1,0,0,0,1|1,0,0]=3 2265 B25R3.25375 CC1CN(CCO1)CCOC(c2ccccc2)c3ccccc3 34a_100000729577_100000734929 [0,1,0,0,0,1|1,0,0]=3 2266 B25R3.25375 CN1CCCC(C1)CCNC(c2ccccc2)c3ccccc3 270004a_100011919708_100000210122 [0,1,0,0,0,1|2,0,0]=4 2267 B25R3.25375 CN1CCCC(C1)CNCC(c2ccccc2)c3ccccc3 34a_100000739227_100015183302 [0,1,0,0,0,1|2,0,0]=4 2268 B25R3.25375 CN1CCCC(C1)COCC(c2ccccc2)c3ccccc3 34a_100011215272_100015183302 [0,1,0,0,0,1|2,0,0]=4 2269 B25R3.25375 CN1CCCC(C1)COCC(c2ccccc2)c3ccccc3 7a_100011215272_100000752043 [0,1,0,0,0,1|2,0,0]=4 2270 B25R3.25375 C[C@@H]1CC(CCN1)NCCC(c2ccccc2)c3ccccc3 270004a_100000272388_100016994030 [0,1,0,0,0,1|2,0,0]=4 2271 B25R3.25375 C[C@H]1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 2230a_100000717927_100000734929 [0,1,0,0,0,1|0,0,0]=2 2272 B25R3.25375 C[C@H]1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 269982a_100000717927_100000734929 [0,1,0,0,0,1|0,0,0]=2 2273 B25R3.25375 C[C@H]1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 34a_100000717927_100000734929 [0,1,0,0,0,1|0,0,0]=2 2274 B25R3.25375 FC1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 2230a_100000697950_100000734929 [0,1,0,0,0,1|0,0,0]=2 2275 B25R3.25375 FC1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 269982a_100000697950_100000734929 [0,1,0,0,0,1|0,0,0]=2 2276 B25R3.25375 FC1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 34a_100000697950_100000734929 [0,1,0,0,0,1|0,0,0]=2 2277 B25R3.25375 O=C1CCCC(C1)OCCC(c2ccccc2)c3ccccc3 34a_100012613340_100009813428 [0,1,0,0,0,1|1,0,1]=4 2278 B25R3.25375 O=C1CN(CCN1)CCOC(c2ccccc2)c3ccccc3 2230a_100000184651_100000734929 [0,1,0,0,0,1|1,0,1]=4 2279 B25R3.25375 O=C1CN(CCO1)CCOC(c2ccccc2)c3ccccc3 2230a_100000131268_100000734929 [0,1,0,0,0,1|1,0,1]=4 2280 B25R3.25375 OC1CCCC(C1)NCCC(c2ccccc2)c3ccccc3 2230a_100015190357_100009813428 [0,1,0,0,0,1|1,0,0]=3 2281 B25R3.25375 OC1CCCC(C1)NCCC(c2ccccc2)c3ccccc3 270004a_100000272388_100012613340 [0,1,0,0,0,1|1,0,0]=3 2282 B25R3.25375 OC1CCCC(C1)NCCP(c2ccccc2)c3ccccc3 270004a_107094377242_100012613340 [0,1,0,0,0,1|2,0,0]=4 2283 B25R3.25375 OC1CCCC(C1)NCC[S+](c2ccccc2)c3ccccc3 2230a_100015190357_100010140906 [0,1,0,0,0,1|2,0,0]=4 2284 B25R3.25375 OC1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 2230a_100000211013_100000734929 [0,1,0,0,0,1|0,0,0]=2 2285 B25R3.25375 OC1CCCN(C1)CCOC(c2ccccc2)c3ccccc3 269982a_100000211013_100000734929 [0,1,0,0,0,1|0,0,0]=2 2286 B25R3.25375 OC1CN(CCO1)CCOC(c2ccccc2)c3ccccc3 2230a_100000688207_100000734929 [0,1,0,0,0,1|1,0,0]=3 2287 B25R3.25375 OC1CN(CCO1)CCOC(c2ccccc2)c3ccccc3 269982a_100000688207_100000734929 [0,1,0,0,0,1|1,0,0]=3 2288 B25R3.26173 CC1CCCCC1NCCP(c2ccccc2)c3ccccc3 269862a_107094377242_100000210921 [0,1,0,0,0,1|2,0,0]=4 2289 B25R3.26173 CC1CCCCC1NCCP(c2ccccc2)c3ccccc3 270004a_107094377242_100000210921 [0,1,0,0,0,1|2,0,0]=4 2290 B25R3.26173 CC1CCCCC1NCC[S+](c2ccccc2)c3ccccc3 2230a_100000211402_100010140906 [0,1,0,0,0,1|2,0,0]=4 2291 B25R3.26173 CC1CCCCN1CCNC(c2ccccc2)c3ccccc3 2230a_100000739827_100000211591 [0,1,0,0,0,1|0,0,0]=2 2292 B25R3.26173 CC1CCCCN1CCNC(c2ccccc2)c3ccccc3 270004a_100000739827_100000210122 [0,1,0,0,0,1|0,0,0]=2 2293 B25R3.26173 CC1CCCCN1CCNC(c2ccccc2)c3ccccn3 270004a_100000739827_100000210380 [0,1,0,0,0,1|1,0,0]=3 2294 B25R3.26173 CC1CCCCN1CCNC(c2ccccc2)c3cccnc3 270004a_100000739827_100000735413 [0,1,0,0,0,1|1,0,0]=3 2295 B25R3.26173 CC1CCCCN1CCNC(c2cccnc2)c3ccccn3 270004a_100000739827_100011376182 [0,1,0,0,0,1|2,0,0]=4 2296 B25R3.26173 CC1CCCCN1CCNC(c2cccnc2)c3cccnc3 270004a_100000739827_200011376183 [0,1,0,0,0,1|2,0,0]=4 2297 B25R3.26173 CC1CCCCN1CCOC(c2ccccc2)c3ccccc3 2230a_100000211376_100000734929 [0,1,0,0,0,1|0,0,0]=2 2298 B25R3.26173 CC1CCCCN1CCOC(c2ccccc2)c3ccccc3 269982a_100000211376_100000734929 [0,1,0,0,0,1|0,0,0]=2 2299 B25R3.26173 CC1CCCCN1CCOC(c2ccccc2)c3ccccc3 34a_100000211376_100000734929 [0,1,0,0,0,1|0,0,0]=2 2300 B25R3.26173 CC1CCNCC1OCCC(c2ccccc2)c3ccccc3 34a_100000696640_100009813428 [0,1,0,0,0,1|2,0,0]=4 2301 B25R3.26173 CC1CNCCC1NCCC(c2ccccc2)c3ccccc3 270004a_100000272388_100000703950 [0,1,0,0,0,1|2,0,0]=4 2302 B25R3.26173 CC1CNCCC1OCCC(c2ccccc2)c3ccccc3 34a_100011998114_100009813428 [0,1,0,0,0,1|2,0,0]=4 2303 B25R3.26173 CC1COCCC1NCCC(c2ccccc2)c3ccccc3 270004a_100000272388_100000755695 [0,1,0,0,0,1|2,0,0]=4 2304 B25R3.26173 CN1CCCCC1CCNC(c2ccccc2)c3ccccc3 2230a_100000162943_100000211948 [0,1,0,0,0,1|2,0,0]=4 2305 B25R3.26173 CN1CCCCC1CCNC(c2ccccc2)c3ccccc3 34a_100000162943_100000211948 [0,1,0,0,0,1|2,0,0]=4 2306 B25R3.26173 CN1CCCCC1CCOC(c2ccccc2)c3ccccc3 34a_100000211180_100000211948 [0,1,0,0,0,1|2,0,0]=4 2307 B25R3.26173 CN1CCCCC1CCOC(c2ccccc2)c3ccccc3 7a_100000211180_100000211948 [0,1,0,0,0,1|2,0,0]=4 2308 B25R3.26173 CN1CCCCC1CNCC(c2ccccc2)c3ccccc3 34a_100000739227_100015186950 [0,1,0,0,0,1|2,0,0]=4 2309 B25R3.26173 CN1CCCCC1COCC(c2ccccc2)c3ccccc3 34a_100011215272_100015186950 [0,1,0,0,0,1|2,0,0]=4 2310 B25R3.26173 CN1CCCCC1COCC(c2ccccc2)c3ccccc3 7a_100011215272_100015185383 [0,1,0,0,0,1|2,0,0]=4 2311 B25R3.26173 C[C@H]1COCCN1CCOC(c2ccccc2)c3ccccc3 2230a_100009815349_100000734929 [0,1,0,0,0,1|1,0,0]=3 2312 B25R3.26173 C[C@H]1COCCN1CCOC(c2ccccc2)c3ccccc3 269982a_100009815349_100000734929 [0,1,0,0,0,1|1,0,0]=3 2313 B25R3.26173 C[C@H]1COCCN1CCOC(c2ccccc2)c3ccccc3 34a_100009815349_100000734929 [0,1,0,0,0,1|1,0,0]=3 2314 B25R3.26173 FC1CCCCC1NCCP(c2ccccc2)c3ccccc3 34a_107094377242_100015423560 [0,1,0,0,0,1|2,0,0]=4 2315 B25R3.26173 F[C@@H]1CCCC[C@H]1NCC[S+](c2ccccc2)c3ccccc3 2230a_100015195156_100010140906 [0,1,0,0,0,1|2,0,0]=4 2316 B25R3.26173 F[C@H]1CNCC[C@H]1OCCC(c2ccccc2)c3ccccc3 34a_200016994291_100009813428 [0,1,0,0,0,1|2,0,0]=4 2317 B25R3.26173 F[C@H]1COCC[C@@H]1NCCC(c2ccccc2)c3ccccc3 2230a_100016994078_100009813428 [0,1,0,0,0,1|2,0,0]=4 2318 B25R3.26173 F[C@H]1COCC[C@@H]1NCCC(c2ccccc2)c3ccccc3 34a_100016994078_100009813428 [0,1,0,0,0,1|2,0,0]=4 2319 B25R3.26173 N[C@@H]1CCCC[C@@H]1OCCC(c2ccccc2)c3ccccc3 34a_100015191688_100009813428 [0,1,0,0,0,1|1,0,0]=3 2320 B25R3.26173 N[C@@H]1CCOC[C@@H]1OCCC(c2ccccc2)c3ccccc3 34a_100016994285_100009813428 [0,1,0,0,0,1|2,0,0]=4 2321 B25R3.26173 N[C@H]1COCC[C@@H]1OCCC(c2ccccc2)c3ccccc3 34a_100015739063_100009813428 [0,1,0,0,0,1|2,0,0]=4 2322 B25R3.26173 O=C1CCCCC1NCCC(c2ccccc2)c3ccccc3 34a_100000272388_100000754470 [0,1,0,0,0,1|1,0,1]=4 2323 B25R3.26173 O=C1CCCCC1OCCC(c2ccccc2)c3ccccc3 34a_100000032380_100000754470 [0,1,0,0,0,1|1,0,1]=4 2324 B25R3.26173 O=C1CCCCC1OCCC(c2ccccc2)c3ccccc3 34a_100011214950_100009813428 [0,1,0,0,0,1|1,0,1]=4 2325 B25R3.26173 O=C1CCCCC1OCCC(c2ccccc2)c3ccccc3 7a_100000032380_100000204591 [0,1,0,0,0,1|1,0,1]=4 2326 B25R3.26173 O=C1CCCCN1CCNC(c2ccccc2)c3ccccc3 2230a_100160573077_100000211591 [0,1,0,0,0,1|0,0,1]=3 2327 B25R3.26173 O=C1CCCCN1CCNC(c2ccccc2)c3ccccc3 270004a_100160573077_100000210122 [0,1,0,0,0,1|0,0,1]=3 2328 B25R3.26173 O=C1CCCCN1CCNC(c2ccccc2)c3ccccn3 270004a_100160573077_100000210380 [0,1,0,0,0,1|1,0,1]=4 2329 B25R3.26173 O=C1CCCCN1CCNC(c2ccccc2)c3cccnc3 270004a_100160573077_100000735413 [0,1,0,0,0,1|1,0,1]=4 2330 B25R3.26173 OC1CCCCC1NCCC(c2ccccc2)c3ccccc3 34a_100000272388_100000038908 [0,1,0,0,0,1|1,0,0]=3 2331 B25R3.26173 OC1CCCCC1NCCP(c2ccccc2)c3ccccc3 34a_107094377242_100000038908 [0,1,0,0,0,1|2,0,0]=4 2332 B25R3.26173 OC1CCCCC1OCCC(c2ccccc2)c3ccccc3 34a_100000032380_100000038908 [0,1,0,0,0,1|1,0,0]=3 2333 B25R3.26173 OC1CCCCC1OCCN(c2ccccc2)c3ccccc3 34a_100010001939_100000038908 [0,1,0,0,0,1|2,0,0]=4 2334 B25R3.26173 OC1CCCCC1SCC[S+](c2ccccc2)c3ccccc3 62a_100000038908_100010140906 [0,1,0,0,0,1|2,0,0]=4 2335 B25R3.26173 OC1CCCCC1SCC[S+](c2ccccc2)c3ccccc3 62a_100010140906_100000038908 [0,1,0,0,0,1|2,0,0]=4 2336 B25R3.26173 O[C@H]1CCOC[C@@H]1NCCC(c2ccccc2)c3ccccc3 2230a_100015739063_100009813428 [0,1,0,0,0,1|2,0,0]=4 2337 B25R3.26173 O[C@H]1COCC[C@H]1NCCC(c2ccccc2)c3ccccc3 2230a_100016994285_100009813428 [0,1,0,0,0,1|2,0,0]=4 2338 B25R3.61794 Brc1ccccc1C(NCCC2CCOCC2)c3ccccc3 2230a_100011211563_100011934994 [0,1,0,0,0,1|2,0,0]=4 2339 B25R3.61794 Brc1ccccc1C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100000198044 [0,1,0,0,0,1|2,0,0]=4 2340 B25R3.61794 Brc1ccccc1C(NCCC2CCOCC2)c3ccccc3 34a_100011211563_100011934994 [0,1,0,0,0,1|2,0,0]=4 2341 B25R3.61794 Brc1ccccc1C(NCCN2CCCCC2)c3ccccc3 2230a_100011211563_100000739454 [0,1,0,0,0,1|0,0,0]=2 2342 B25R3.61794 Brc1ccccc1C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100000198044 [0,1,0,0,0,1|0,0,0]=2 2343 B25R3.61794 Brc1ccccc1C(NCCN2CCCCC2)c3ccccc3 34a_100011211563_100000739454 [0,1,0,0,0,1|0,0,0]=2 2344 B25R3.61794 Brc1ccccc1C(NCCN2CCCCC2)c3cccnc3 270004a_100000216509_100011532686 [0,1,0,0,0,1|1,0,0]=3 2345 B25R3.61794 Brc1ccccc1C(NCCN2CCOCC2)c3ccccc3 2230a_100011211563_100025781966 [0,1,0,0,0,1|1,0,0]=3 2346 B25R3.61794 Brc1ccccc1C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100000198044 [0,1,0,0,0,1|1,0,0]=3 2347 B25R3.61794 Brc1ccccc1C(NCCN2CCOCC2)c3cccnc3 270004a_100000211067_100011532686 [0,1,0,0,0,1|2,0,0]=4 2348 B25R3.61794 Brc1ccccc1C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100000198044 [0,1,0,0,0,1|1,0,0]=3 2349 B25R3.61794 Brc1ccccc1C(NCCN2CCSCC2)c3cccnc3 270004a_100000755026_100011532686 [0,1,0,0,0,1|2,0,0]=4 2350 B25R3.61794 Cc1ccccc1C(NCCC2CCCCO2)c3ccccc3 2230a_100015183643_100000230135 [0,1,0,0,0,1|2,0,0]=4 2351 B25R3.61794 Cc1ccccc1C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100000735561 [0,1,0,0,0,1|2,0,0]=4 2352 B25R3.61794 Cc1ccccc1C(NCCC2CCOCC2)c3ccccc3 2230a_100000222801_100011934994 [0,1,0,0,0,1|2,0,0]=4 2353 B25R3.61794 Cc1ccccc1C(NCCC2CCOCC2)c3ccccc3 2230a_100000755988_100000230135 [0,1,0,0,0,1|2,0,0]=4 2354 B25R3.61794 Cc1ccccc1C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100000735561 [0,1,0,0,0,1|2,0,0]=4 2355 B25R3.61794 Cc1ccccc1C(NCCC2CCOCC2)c3ccccc3 34a_100000222801_100011934994 [0,1,0,0,0,1|2,0,0]=4 2356 B25R3.61794 Cc1ccccc1C(NCCN2CCCCC2)c3ccccc3 2230a_100000222801_100000739454 [0,1,0,0,0,1|0,0,0]=2 2357 B25R3.61794 Cc1ccccc1C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100000735561 [0,1,0,0,0,1|0,0,0]=2 2358 B25R3.61794 Cc1ccccc1C(NCCN2CCCCC2)c3ccccc3 34a_100000222801_100000739454 [0,1,0,0,0,1|0,0,0]=2 2359 B25R3.61794 Cc1ccccc1C(NCCN2CCCCC2)c3ccncc3 2230a_100015184055_100000739454 [0,1,0,0,0,1|1,0,0]=3 2360 B25R3.61794 Cc1ccccc1C(NCCN2CCOCC2)c3ccccc3 2230a_100000222801_100025781966 [0,1,0,0,0,1|1,0,0]=3 2361 B25R3.61794 Cc1ccccc1C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100000735561 [0,1,0,0,0,1|1,0,0]=3 2362 B25R3.61794 Cc1ccccc1C(NCCN2CCOCC2)c3ccncc3 2230a_100015184055_100025781966 [0,1,0,0,0,1|2,0,0]=4 2363 B25R3.61794 Cc1ccccc1C(NCCN2CCSCC2)c3ccccc3 2230a_100000755026_100000230135 [0,1,0,0,0,1|1,0,0]=3 2364 B25R3.61794 Cc1ccccc1C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100000735561 [0,1,0,0,0,1|1,0,0]=3 2365 B25R3.61794 Cc1ccccc1C(NCOC2CCCCC2)c3ccccc3 2230a_100000222801_100011935260 [0,1,0,0,0,1|2,0,0]=4 2366 B25R3.61794 Cc1ccccc1C(NCOC2CCCCC2)c3ccccc3 34a_100000222801_100011935260 [0,1,0,0,0,1|2,0,0]=4 2367 B25R3.61794 Cc1ccccc1C(OCCC2CCOCC2)c3ccccc3 34a_100000212071_100011934994 [0,1,0,0,0,1|2,0,0]=4 2368 B25R3.61794 Cc1ccccc1C(OCCC2CCOCC2)c3ccccc3 7a_100000212071_100011934994 [0,1,0,0,0,1|2,0,0]=4 2369 B25R3.61794 Cc1ccccc1C(OCCC2CCOCC2)c3ccccc3 7a_100011933979_100000230135 [0,1,0,0,0,1|2,0,0]=4 2370 B25R3.61794 Cc1ccccc1C(OCCN2CCCCC2)c3ccccc3 34a_100000212071_100000739454 [0,1,0,0,0,1|0,0,0]=2 2371 B25R3.61794 Cc1ccccc1C(OCCN2CCCCC2)c3ccccc3 7a_100000212071_100000739454 [0,1,0,0,0,1|0,0,0]=2 2372 B25R3.61794 Cc1ccccc1C(OCCN2CCOCC2)c3ccccc3 7a_100000212071_100000211760 [0,1,0,0,0,1|1,0,0]=3 2373 B25R3.61794 Cc1ccccc1C(OCCN2CCSCC2)c3ccccc3 7a_100000686052_100000230135 [0,1,0,0,0,1|1,0,0]=3 2374 B25R3.61794 Cc1ccccc1C(SCCN2CCOCC2)c3ccccc3 62a_100000230135_100000211760 [0,1,0,0,0,1|1,0,0]=3 2375 B25R3.61794 Clc1ccccc1C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100011215288 [0,1,0,0,0,1|2,0,0]=4 2376 B25R3.61794 Clc1ccccc1C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100011215288 [0,1,0,0,0,1|2,0,0]=4 2377 B25R3.61794 Clc1ccccc1C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100011215288 [0,1,0,0,0,1|0,0,0]=2 2378 B25R3.61794 Clc1ccccc1C(NCCN2CCCCC2)c3ccccn3 270004a_100000216509_100011400554 [0,1,0,0,0,1|1,0,0]=3 2379 B25R3.61794 Clc1ccccc1C(NCCN2CCCCC2)c3cccnc3 270004a_100000216509_200011400555 [0,1,0,0,0,1|1,0,0]=3 2380 B25R3.61794 Clc1ccccc1C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100011215288 [0,1,0,0,0,1|1,0,0]=3 2381 B25R3.61794 Clc1ccccc1C(NCCN2CCOCC2)c3ccccn3 270004a_100000211067_100011400554 [0,1,0,0,0,1|2,0,0]=4 2382 B25R3.61794 Clc1ccccc1C(NCCN2CCOCC2)c3cccnc3 270004a_100000211067_200011400555 [0,1,0,0,0,1|2,0,0]=4 2383 B25R3.61794 Clc1ccccc1C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100011215288 [0,1,0,0,0,1|1,0,0]=3 2384 B25R3.61794 Clc1ccccc1C(NCCN2CCSCC2)c3ccccn3 270004a_100000755026_100011400554 [0,1,0,0,0,1|2,0,0]=4 2385 B25R3.61794 Clc1ccccc1C(NCCN2CCSCC2)c3cccnc3 270004a_100000755026_200011400555 [0,1,0,0,0,1|2,0,0]=4 2386 B25R3.61794 Clc1ccccc1C(OCCN2CCCCC2)c3ccccc3 34a_200011400577_100000739454 [0,1,0,0,0,1|0,0,0]=2 2387 B25R3.61794 Clc1ccccc1C(OCCN2CCCCC2)c3ccccc3 7a_200011400577_100000739454 [0,1,0,0,0,1|0,0,0]=2 2388 B25R3.61794 Clc1ccccc1C(OCCN2CCOCC2)c3ccccc3 7a_200011400577_100000211760 [0,1,0,0,0,1|1,0,0]=3 2389 B25R3.61794 Fc1ccccc1C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100011217773 [0,1,0,0,0,1|2,0,0]=4 2390 B25R3.61794 Fc1ccccc1C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100011217773 [0,1,0,0,0,1|2,0,0]=4 2391 B25R3.61794 Fc1ccccc1C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100011217773 [0,1,0,0,0,1|0,0,0]=2 2392 B25R3.61794 Fc1ccccc1C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100011217773 [0,1,0,0,0,1|1,0,0]=3 2393 B25R3.61794 Fc1ccccc1C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100011217773 [0,1,0,0,0,1|1,0,0]=3 2394 B25R3.61794 Nc1ccccc1C(OCCC2CCOCC2)c3ccccc3 34a_100000246470_100011934994 [0,1,0,0,0,1|2,0,0]=4 2395 B25R3.61794 Nc1ccccc1C(OCCC2CCOCC2)c3ccccc3 7a_100000246470_100011934994 [0,1,0,0,0,1|2,0,0]=4 2396 B25R3.61794 Nc1ccccc1C(OCCN2CCCCC2)c3ccccc3 34a_100000246470_100000739454 [0,1,0,0,0,1|0,0,0]=2 2397 B25R3.61794 Nc1ccccc1C(OCCN2CCCCC2)c3ccccc3 7a_100000246470_100000739454 [0,1,0,0,0,1|0,0,0]=2 2398 B25R3.61794 Nc1ccccc1C(OCCN2CCOCC2)c3ccccc3 7a_100000246470_100000211760 [0,1,0,0,0,1|1,0,0]=3 2399 B25R3.61794 Nc1ccccc1C(OCOC2CCCCC2)c3ccccc3 34a_100000246470_100011935260 [0,1,0,0,0,1|2,0,0]=4 2400 B25R3.61794 Nc1ccccc1C(OCOC2CCCCC2)c3ccccc3 7a_100000246470_100011935260 [0,1,0,0,0,1|2,0,0]=4 2401 B25R3.82807 CC(CC(c1ccccc1)c2ccccc2)NC3CCCOC3 270004a_100000719290_200000011111 [0,1,0,0,0,1|2,0,0]=4 2402 B25R3.82807 CC(CC(c1ccccc1)c2ccccc2)NC3CCOCC3 270004a_100000741149_200000011111 [0,1,0,0,0,1|2,0,0]=4 2403 B25R3.82807 CC(CN1CCCCC1)NC(c2ccccc2)c3ccccc3 2230a_100000738326_100000211591 [0,1,0,0,0,1|0,0,0]=2 2404 B25R3.82807 CC(CN1CCCCC1)NC(c2ccccc2)c3ccccc3 270004a_100000738326_100000210122 [0,1,0,0,0,1|0,0,0]=2 2405 B25R3.82807 CC(CN1CCCCC1)NC(c2ccccc2)c3ccccn3 270004a_100000738326_100000210380 [0,1,0,0,0,1|1,0,0]=3 2406 B25R3.82807 CC(CN1CCCCC1)NC(c2ccccc2)c3cccnc3 270004a_100000738326_100000735413 [0,1,0,0,0,1|1,0,0]=3 2407 B25R3.82807 CC(CN1CCCCC1)NC(c2cccnc2)c3ccccn3 270004a_100000738326_100011376182 [0,1,0,0,0,1|2,0,0]=4 2408 B25R3.82807 CC(CN1CCCCC1)NC(c2cccnc2)c3cccnc3 270004a_100000738326_200011376183 [0,1,0,0,0,1|2,0,0]=4 2409 B25R3.82807 CC(CN1CCOCC1)NC(c2ccccc2)c3ccccc3 2230a_100000739823_100000211591 [0,1,0,0,0,1|1,0,0]=3 2410 B25R3.82807 CC(CN1CCOCC1)NC(c2ccccc2)c3ccccc3 270004a_100000739823_100000210122 [0,1,0,0,0,1|1,0,0]=3 2411 B25R3.82807 CC(CN1CCOCC1)NC(c2ccccc2)c3ccccn3 270004a_100000739823_100000210380 [0,1,0,0,0,1|2,0,0]=4 2412 B25R3.82807 CC(CN1CCOCC1)NC(c2ccccc2)c3cccnc3 270004a_100000739823_100000735413 [0,1,0,0,0,1|2,0,0]=4 2413 B25R3.82807 O=C(CC(c1ccccc1)c2ccccc2)NC3CCCCC3 11a_100000182618_100000499737 [0,1,0,0,0,1|1,0,1]=4 2414 B25R3.82807 O=C(CC(c1ccccc1)c2ccccc2)NC3CCCCC3 1626a_100000182618_100000499737 [0,1,0,0,0,1|1,0,1]=4 2415 B25R3.82807 O=C(CC(c1ccccc1)c2ccccc2)NC3CCCCC3 240690a_100000182618_100000499737 [0,1,0,0,0,1|1,0,1]=4 2416 B25R3.82807 O=C(CC(c1ccccc1)c2ccccc2)NC3CCCCC3 527a_100000182618_100000499737 [0,1,0,0,0,1|1,0,1]=4 2417 B25R3.82807 O=C(CC1CCCCC1)CP(c2ccccc2)c3ccccc3 1458a_200020607205_100000211423 [0,1,0,0,0,1|2,0,0]=4 2418 B25R3.82807 O=C(CC1CCCCC1)NC(c2ccccc2)c3ccccc3 11a_100000162943_100000211666 [0,1,0,0,0,1|1,0,1]=4 2419 B25R3.82807 O=C(CC1CCCCC1)NC(c2ccccc2)c3ccccc3 1626a_100000162943_100000211666 [0,1,0,0,0,1|1,0,1]=4 2420 B25R3.82807 O=C(CC1CCCCC1)NC(c2ccccc2)c3ccccc3 240690a_100000162943_100000211666 [0,1,0,0,0,1|1,0,1]=4 2421 B25R3.82807 O=C(CC1CCCCC1)NC(c2ccccc2)c3ccccc3 527a_100000162943_100000211666 [0,1,0,0,0,1|1,0,1]=4 2422 B25R3.82807 O=C(CC1CCCCO1)CC(c2ccccc2)c3ccccc3 1458a_100000499737_100000211543 [0,1,0,0,0,1|2,0,0]=4 2423 B25R3.82807 O=C(CC1CCCOC1)CC(c2ccccc2)c3ccccc3 1458a_100000499737_100000741521 [0,1,0,0,0,1|2,0,0]=4 2424 B25R3.82807 O=C(CC1CCOCC1)CC(c2ccccc2)c3ccccc3 1458a_100000499737_100000754603 [0,1,0,0,0,1|2,0,0]=4 2425 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccccc3 11a_100000162943_100000740322 [0,1,0,0,0,1|0,0,1]=3 2426 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccccc3 240690a_100000162943_100000740322 [0,1,0,0,0,1|0,0,1]=3 2427 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccccc3 527a_100000162943_100000740322 [0,1,0,0,0,1|0,0,1]=3 2428 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccccn3 11a_100000689936_100000740322 [0,1,0,0,0,1|1,0,1]=4 2429 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccccn3 240690a_100000689936_100000740322 [0,1,0,0,0,1|1,0,1]=4 2430 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccccn3 527a_100000689936_100000740322 [0,1,0,0,0,1|1,0,1]=4 2431 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3cccnc3 11a_100011232609_100000740322 [0,1,0,0,0,1|1,0,1]=4 2432 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3cccnc3 240690a_100011232609_100000740322 [0,1,0,0,0,1|1,0,1]=4 2433 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3cccnc3 527a_100011232609_100000740322 [0,1,0,0,0,1|1,0,1]=4 2434 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccncc3 11a_100025760769_100000740322 [0,1,0,0,0,1|1,0,1]=4 2435 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccncc3 240690a_100025760769_100000740322 [0,1,0,0,0,1|1,0,1]=4 2436 B25R3.82807 O=C(CN1CCCCC1)NC(c2ccccc2)c3ccncc3 527a_100025760769_100000740322 [0,1,0,0,0,1|1,0,1]=4 2437 B25R3.82807 O=C(CN1CCOCC1)NC(c2ccccc2)c3ccccc3 11a_100000162943_100000740321 [0,1,0,0,0,1|1,0,1]=4 2438 B25R3.82807 O=C(CN1CCOCC1)NC(c2ccccc2)c3ccccc3 240690a_100000162943_100000740321 [0,1,0,0,0,1|1,0,1]=4 2439 B25R3.82807 O=C(CN1CCOCC1)NC(c2ccccc2)c3ccccc3 527a_100000162943_100000740321 [0,1,0,0,0,1|1,0,1]=4 2440 B25R3.114844 C=C1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 2230a_100000752442_100000734929 [0,1,0,0,0,1|0,0,1]=3 2441 B25R3.114844 C=C1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 269982a_100000752442_100000734929 [0,1,0,0,0,1|0,0,1]=3 2442 B25R3.114844 C=C1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 34a_100000752442_100000734929 [0,1,0,0,0,1|0,0,1]=3 2443 B25R3.114844 CC1=CCN(CC1)CCOC(c2ccccc2)c3ccccc3 2230a_100000693516_100000734929 [0,1,0,0,0,1|0,0,2]=4 2444 B25R3.114844 CC1=CCN(CC1)CCOC(c2ccccc2)c3ccccc3 269982a_100000693516_100000734929 [0,1,0,0,0,1|0,0,2]=4 2445 B25R3.114844 CC1=CCN(CC1)CCOC(c2ccccc2)c3ccccc3 34a_100000693516_100000734929 [0,1,0,0,0,1|0,0,2]=4 2446 B25R3.114844 CC1CCC(CC1)NCCP(c2ccccc2)c3ccccc3 270004a_107094377242_100000185489 [0,1,0,0,0,1|2,0,0]=4 2447 B25R3.114844 CC1CCC(CC1)NCCP(c2ccccc2)c3ccccc3 34a_107094377242_200011216234 [0,1,0,0,0,1|2,0,0]=4 2448 B25R3.114844 CC1CCN(CC1)CCNC(c2ccccc2)c3ccccc3 270004a_100000739677_100000210122 [0,1,0,0,0,1|0,0,0]=2 2449 B25R3.114844 CC1CCN(CC1)CCNC(c2ccccc2)c3ccccn3 270004a_100000739677_100000210380 [0,1,0,0,0,1|1,0,0]=3 2450 B25R3.114844 CC1CCN(CC1)CCNC(c2ccccc2)c3cccnc3 270004a_100000739677_100000735413 [0,1,0,0,0,1|1,0,0]=3 2451 B25R3.114844 CC1CCN(CC1)CCNC(c2cccnc2)c3ccccn3 270004a_100000739677_100011376182 [0,1,0,0,0,1|2,0,0]=4 2452 B25R3.114844 CC1CCN(CC1)CCNC(c2cccnc2)c3cccnc3 270004a_100000739677_200011376183 [0,1,0,0,0,1|2,0,0]=4 2453 B25R3.114844 CC1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 2230a_100000188429_100000734929 [0,1,0,0,0,1|0,0,0]=2 2454 B25R3.114844 CC1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 269982a_100000188429_100000734929 [0,1,0,0,0,1|0,0,0]=2 2455 B25R3.114844 CC1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 34a_100000188429_100000734929 [0,1,0,0,0,1|0,0,0]=2 2456 B25R3.114844 CN1CCC(CC1)NCCC(c2ccccc2)c3ccccc3 270004a_100000272388_100000210137 [0,1,0,0,0,1|2,0,0]=4 2457 B25R3.114844 CN1CCN(CC1)CCNC(c2ccccc2)c3ccccc3 270004a_100000234785_100000210122 [0,1,0,0,0,1|1,0,0]=3 2458 B25R3.114844 CN1CCN(CC1)CCNC(c2ccccc2)c3ccccn3 270004a_100000234785_100000210380 [0,1,0,0,0,1|2,0,0]=4 2459 B25R3.114844 CN1CCN(CC1)CCNC(c2ccccc2)c3cccnc3 270004a_100000234785_100000735413 [0,1,0,0,0,1|2,0,0]=4 2460 B25R3.114844 CN1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 2230a_100000188432_100000734929 [0,1,0,0,0,1|1,0,0]=3 2461 B25R3.114844 CN1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 269982a_100000188432_100000734929 [0,1,0,0,0,1|1,0,0]=3 2462 B25R3.114844 CN1CCN(CC1)CCSC(c2ccccc2)c3ccccc3 62a_100000211591_100000694902 [0,1,0,0,0,1|1,0,0]=3 2463 B25R3.114844 C[C@H]1CC[C@@H](CC1)NCC[S+](c2ccccc2)c3ccccc3 2230a_100020625639_100010140906 [0,1,0,0,0,1|2,0,0]=4 2464 B25R3.114844 FC1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 2230a_100015193889_100000734929 [0,1,0,0,0,1|0,0,0]=2 2465 B25R3.114844 FC1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 269982a_100015193889_100000734929 [0,1,0,0,0,1|0,0,0]=2 2466 B25R3.114844 FC1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 34a_100015193889_100000734929 [0,1,0,0,0,1|0,0,0]=2 2467 B25R3.114844 N[C@H]1CC[C@H](CC1)OCCC(c2ccccc2)c3ccccc3 34a_100020628982_100009813428 [0,1,0,0,0,1|1,0,0]=3 2468 B25R3.114844 O=C1CCC(CC1)OCCC(c2ccccc2)c3ccccc3 34a_100000764474_100009813428 [0,1,0,0,0,1|1,0,1]=4 2469 B25R3.114844 O=C1CCC(CC1)OCCC(c2ccccc2)c3ccccc3 7a_100000764474_100009813428 [0,1,0,0,0,1|1,0,1]=4 2470 B25R3.114844 O=S1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 2230a_100000752083_100000734929 [0,1,0,0,0,1|1,0,0]=3 2471 B25R3.114844 O=S1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 269982a_100000752083_100000734929 [0,1,0,0,0,1|1,0,0]=3 2472 B25R3.114844 OC1CCC(CC1)CCNC(c2ccccc2)c3ccccc3 270004a_200011935226_100000210122 [0,1,0,0,0,1|1,0,0]=3 2473 B25R3.114844 OC1CCC(CC1)CCNC(c2ccccc2)c3ccccn3 270004a_200011935226_100000210380 [0,1,0,0,0,1|2,0,0]=4 2474 B25R3.114844 OC1CCC(CC1)CCNC(c2ccccc2)c3cccnc3 270004a_200011935226_100000735413 [0,1,0,0,0,1|2,0,0]=4 2475 B25R3.114844 OC1CCC(CC1)NCCC(c2ccccc2)c3ccccc3 270004a_100000272388_100000764474 [0,1,0,0,0,1|1,0,0]=3 2476 B25R3.114844 OC1CCC(CC1)NCCP(c2ccccc2)c3ccccc3 270004a_107094377242_100000764474 [0,1,0,0,0,1|2,0,0]=4 2477 B25R3.114844 OC1CCN(CC1)CCNC(c2ccccc2)c3ccccc3 270004a_100020666255_100000210122 [0,1,0,0,0,1|0,0,0]=2 2478 B25R3.114844 OC1CCN(CC1)CCNC(c2ccccc2)c3ccccn3 270004a_100020666255_100000210380 [0,1,0,0,0,1|1,0,0]=3 2479 B25R3.114844 OC1CCN(CC1)CCNC(c2ccccc2)c3cccnc3 270004a_100020666255_100000735413 [0,1,0,0,0,1|1,0,0]=3 2480 B25R3.114844 OC1CCN(CC1)CCNC(c2cccnc2)c3ccccn3 270004a_100020666255_100011376182 [0,1,0,0,0,1|2,0,0]=4 2481 B25R3.114844 OC1CCN(CC1)CCNC(c2cccnc2)c3cccnc3 270004a_100020666255_200011376183 [0,1,0,0,0,1|2,0,0]=4 2482 B25R3.114844 OC1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 2230a_100025773856_100000734929 [0,1,0,0,0,1|0,0,0]=2 2483 B25R3.114844 OC1CCN(CC1)CCOC(c2ccccc2)c3ccccc3 269982a_100025773856_100000734929 [0,1,0,0,0,1|0,0,0]=2 2484 B25R3.121526 Brc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000745999_100011934994 [0,1,0,0,0,1|2,0,0]=4 2485 B25R3.121526 Brc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100000718703 [0,1,0,0,0,1|2,0,0]=4 2486 B25R3.121526 Brc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 34a_100000745999_100011934994 [0,1,0,0,0,1|2,0,0]=4 2487 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 2230a_100000745999_100000739454 [0,1,0,0,0,1|0,0,0]=2 2488 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100000718703 [0,1,0,0,0,1|0,0,0]=2 2489 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 34a_100000745999_100000739454 [0,1,0,0,0,1|0,0,0]=2 2490 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCCCC2)c3ccccn3 270004a_100000216509_200010179208 [0,1,0,0,0,1|1,0,0]=3 2491 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCCCC2)c3cccnc3 270004a_100000216509_100000753996 [0,1,0,0,0,1|1,0,0]=3 2492 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 2230a_100000745999_100025781966 [0,1,0,0,0,1|1,0,0]=3 2493 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100000718703 [0,1,0,0,0,1|1,0,0]=3 2494 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCOCC2)c3ccccn3 270004a_100000211067_200010179208 [0,1,0,0,0,1|2,0,0]=4 2495 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCOCC2)c3cccnc3 270004a_100000211067_100000753996 [0,1,0,0,0,1|2,0,0]=4 2496 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100000718703 [0,1,0,0,0,1|1,0,0]=3 2497 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCSCC2)c3ccccn3 270004a_100000755026_200010179208 [0,1,0,0,0,1|2,0,0]=4 2498 B25R3.121526 Brc1ccc(cc1)C(NCCN2CCSCC2)c3cccnc3 270004a_100000755026_100000753996 [0,1,0,0,0,1|2,0,0]=4 2499 B25R3.121526 Brc1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 7a_100011217567_100000211760 [0,1,0,0,0,1|1,0,0]=3 2500 B25R3.121526 Cc1ccc(cc1)C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100000210966 [0,1,0,0,0,1|2,0,0]=4 2501 B25R3.121526 Cc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000736602_100011934994 [0,1,0,0,0,1|2,0,0]=4 2502 B25R3.121526 Cc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100000210966 [0,1,0,0,0,1|2,0,0]=4 2503 B25R3.121526 Cc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 34a_100000736602_100011934994 [0,1,0,0,0,1|2,0,0]=4 2504 B25R3.121526 Cc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 2230a_100000736602_100000739454 [0,1,0,0,0,1|0,0,0]=2 2505 B25R3.121526 Cc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100000210966 [0,1,0,0,0,1|0,0,0]=2 2506 B25R3.121526 Cc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 34a_100000736602_100000739454 [0,1,0,0,0,1|0,0,0]=2 2507 B25R3.121526 Cc1ccc(cc1)C(NCCN2CCCCC2)c3ccncc3 34a_200015185284_100000739454 [0,1,0,0,0,1|1,0,0]=3 2508 B25R3.121526 Cc1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 2230a_100000736602_100025781966 [0,1,0,0,0,1|1,0,0]=3 2509 B25R3.121526 Cc1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100000210966 [0,1,0,0,0,1|1,0,0]=3 2510 B25R3.121526 Cc1ccc(cc1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100000210966 [0,1,0,0,0,1|1,0,0]=3 2511 B25R3.121526 Cc1ccc(cc1)C(NCOC2CCCCC2)c3ccccc3 2230a_100000736602_100011935260 [0,1,0,0,0,1|2,0,0]=4 2512 B25R3.121526 Cc1ccc(cc1)C(NCOC2CCCCC2)c3ccccc3 34a_100000736602_100011935260 [0,1,0,0,0,1|2,0,0]=4 2513 B25R3.121526 Cc1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 34a_100000212064_100011934994 [0,1,0,0,0,1|2,0,0]=4 2514 B25R3.121526 Cc1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 7a_100000212064_100011934994 [0,1,0,0,0,1|2,0,0]=4 2515 B25R3.121526 Cc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 34a_100000212064_100000739454 [0,1,0,0,0,1|0,0,0]=2 2516 B25R3.121526 Cc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 7a_100000212064_100000739454 [0,1,0,0,0,1|0,0,0]=2 2517 B25R3.121526 Cc1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 7a_100000212064_100000211760 [0,1,0,0,0,1|1,0,0]=3 2518 B25R3.121526 Clc1ccc(cc1)C(NCCC2CCCCO2)c3ccccc3 2230a_100015183643_100000211669 [0,1,0,0,0,1|2,0,0]=4 2519 B25R3.121526 Clc1ccc(cc1)C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100000211064 [0,1,0,0,0,1|2,0,0]=4 2520 B25R3.121526 Clc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000737946_100011934994 [0,1,0,0,0,1|2,0,0]=4 2521 B25R3.121526 Clc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000755988_100000211669 [0,1,0,0,0,1|2,0,0]=4 2522 B25R3.121526 Clc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100000211064 [0,1,0,0,0,1|2,0,0]=4 2523 B25R3.121526 Clc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 34a_100000737946_100011934994 [0,1,0,0,0,1|2,0,0]=4 2524 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 2230a_100000737946_100000739454 [0,1,0,0,0,1|0,0,0]=2 2525 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100000211064 [0,1,0,0,0,1|0,0,0]=2 2526 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 34a_100000737946_100000739454 [0,1,0,0,0,1|0,0,0]=2 2527 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCCCC2)c3ccccn3 270004a_100000216509_100000753647 [0,1,0,0,0,1|1,0,0]=3 2528 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCCCC2)c3cccnc3 270004a_100000216509_100000753233 [0,1,0,0,0,1|1,0,0]=3 2529 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 2230a_100000737946_100025781966 [0,1,0,0,0,1|1,0,0]=3 2530 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100000211064 [0,1,0,0,0,1|1,0,0]=3 2531 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCOCC2)c3ccccn3 270004a_100000211067_100000753647 [0,1,0,0,0,1|2,0,0]=4 2532 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCOCC2)c3cccnc3 270004a_100000211067_100000753233 [0,1,0,0,0,1|2,0,0]=4 2533 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCSCC2)c3ccccc3 2230a_100000755026_100000211669 [0,1,0,0,0,1|1,0,0]=3 2534 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100000211064 [0,1,0,0,0,1|1,0,0]=3 2535 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCSCC2)c3ccccn3 2230a_100000755026_200010188304 [0,1,0,0,0,1|2,0,0]=4 2536 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCSCC2)c3ccccn3 270004a_100000755026_100000753647 [0,1,0,0,0,1|2,0,0]=4 2537 B25R3.121526 Clc1ccc(cc1)C(NCCN2CCSCC2)c3cccnc3 270004a_100000755026_100000753233 [0,1,0,0,0,1|2,0,0]=4 2538 B25R3.121526 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 34a_100000211768_100000739454 [0,1,0,0,0,1|0,0,0]=2 2539 B25R3.121526 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 7a_100000211768_100000739454 [0,1,0,0,0,1|0,0,0]=2 2540 B25R3.121526 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccn3 34a_100000242608_100000739454 [0,1,0,0,0,1|1,0,0]=3 2541 B25R3.121526 Clc1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 7a_100000211768_100000211760 [0,1,0,0,0,1|1,0,0]=3 2542 B25R3.121526 Clc1ccc(cc1)C(OCCN2CCSCC2)c3ccccc3 7a_100000686052_100000211669 [0,1,0,0,0,1|1,0,0]=3 2543 B25R3.121526 Clc1ccc(cc1)C(OCCN2CCSCC2)c3ccccn3 7a_100000686052_200010188304 [0,1,0,0,0,1|2,0,0]=4 2544 B25R3.121526 Clc1ccc(cc1)C(SCCN2CCOCC2)c3ccccc3 62a_100000211669_100000211760 [0,1,0,0,0,1|1,0,0]=3 2545 B25R3.121526 Clc1ccc(cc1)C(SCCN2CCOCC2)c3ccccn3 62a_200010188304_100000211760 [0,1,0,0,0,1|2,0,0]=4 2546 B25R3.121526 Fc1ccc(cc1)C(NCCC2CCCCC2)c3ccncc3 2230a_100000751741_100012355289 [0,1,0,0,0,1|2,0,0]=4 2547 B25R3.121526 Fc1ccc(cc1)C(NCCC2CCCCC2)c3ccncc3 270004a_100000751741_100011713444 [0,1,0,0,0,1|2,0,0]=4 2548 B25R3.121526 Fc1ccc(cc1)C(NCCC2CCCCC2)c3ccncc3 34a_100000751741_100011209188 [0,1,0,0,0,1|2,0,0]=4 2549 B25R3.121526 Fc1ccc(cc1)C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100000210425 [0,1,0,0,0,1|2,0,0]=4 2550 B25R3.121526 Fc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000737529_100011934994 [0,1,0,0,0,1|2,0,0]=4 2551 B25R3.121526 Fc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100000210425 [0,1,0,0,0,1|2,0,0]=4 2552 B25R3.121526 Fc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 34a_100000737529_100011934994 [0,1,0,0,0,1|2,0,0]=4 2553 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 2230a_100000737529_100000739454 [0,1,0,0,0,1|0,0,0]=2 2554 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100000210425 [0,1,0,0,0,1|0,0,0]=2 2555 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 34a_100000737529_100000739454 [0,1,0,0,0,1|0,0,0]=2 2556 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCCCC2)c3ccncc3 2230a_100000751741_100000739454 [0,1,0,0,0,1|1,0,0]=3 2557 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCCCC2)c3ccncc3 34a_100000751741_100000739454 [0,1,0,0,0,1|1,0,0]=3 2558 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 2230a_100000737529_100025781966 [0,1,0,0,0,1|1,0,0]=3 2559 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100000210425 [0,1,0,0,0,1|1,0,0]=3 2560 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCOCC2)c3ccncc3 2230a_100000751741_100025781966 [0,1,0,0,0,1|2,0,0]=4 2561 B25R3.121526 Fc1ccc(cc1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100000210425 [0,1,0,0,0,1|1,0,0]=3 2562 B25R3.121526 Fc1ccc(cc1)C(NCOC2CCCCC2)c3ccccc3 2230a_100000737529_100011935260 [0,1,0,0,0,1|2,0,0]=4 2563 B25R3.121526 Fc1ccc(cc1)C(NCOC2CCCCC2)c3ccccc3 34a_100000737529_100011935260 [0,1,0,0,0,1|2,0,0]=4 2564 B25R3.121526 Fc1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 34a_200000246460_100011934994 [0,1,0,0,0,1|2,0,0]=4 2565 B25R3.121526 Fc1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 7a_200000246460_100011934994 [0,1,0,0,0,1|2,0,0]=4 2566 B25R3.121526 Fc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 34a_200000246460_100000739454 [0,1,0,0,0,1|0,0,0]=2 2567 B25R3.121526 Fc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 7a_200000246460_100000739454 [0,1,0,0,0,1|0,0,0]=2 2568 B25R3.121526 Fc1ccc(cc1)C(OCCN2CCCCC2)c3ccncc3 34a_100000748166_100000739454 [0,1,0,0,0,1|1,0,0]=3 2569 B25R3.121526 Fc1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 7a_200000246460_100000211760 [0,1,0,0,0,1|1,0,0]=3 2570 B25R3.121526 Nc1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 34a_100011236343_100011934994 [0,1,0,0,0,1|2,0,0]=4 2571 B25R3.121526 Nc1ccc(cc1)C(OCCC2CCOCC2)c3ccccc3 7a_100011236343_100011934994 [0,1,0,0,0,1|2,0,0]=4 2572 B25R3.121526 Nc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 34a_100011236343_100000739454 [0,1,0,0,0,1|0,0,0]=2 2573 B25R3.121526 Nc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3 7a_100011236343_100000739454 [0,1,0,0,0,1|0,0,0]=2 2574 B25R3.121526 Nc1ccc(cc1)C(OCCN2CCOCC2)c3ccccc3 7a_100011236343_100000211760 [0,1,0,0,0,1|1,0,0]=3 2575 B25R3.121526 Nc1ccc(cc1)C(OCOC2CCCCC2)c3ccccc3 34a_100011236343_100011935260 [0,1,0,0,0,1|2,0,0]=4 2576 B25R3.121526 Nc1ccc(cc1)C(OCOC2CCCCC2)c3ccccc3 7a_100011236343_100011935260 [0,1,0,0,0,1|2,0,0]=4 2577 B25R3.121526 Oc1ccc(cc1)C(NCCC2CCOCC2)c3ccccc3 34a_100000198503_100011934994 [0,1,0,0,0,1|2,0,0]=4 2578 B25R3.121526 Oc1ccc(cc1)C(NCCN2CCCCC2)c3ccccc3 34a_100000198503_100000739454 [0,1,0,0,0,1|0,0,0]=2 2579 B25R3.121526 Oc1ccc(cc1)C(NCOC2CCCCC2)c3ccccc3 34a_100000198503_100011935260 [0,1,0,0,0,1|2,0,0]=4 2580 B25R3.2033538 CN(CCC1CCCCO1)C(c2ccccc2)c3ccccc3 2230a_100015183322_100000211591 [0,1,0,0,0,1|2,0,0]=4 2581 B25R3.2033538 CN(CCC1CCCCO1)C(c2ccccc2)c3ccccc3 269982a_100015183322_100000211591 [0,1,0,0,0,1|2,0,0]=4 2582 B25R3.2033538 CN(CCC1CCCCO1)C(c2ccccc2)c3ccccc3 270004a_100015183322_100000210122 [0,1,0,0,0,1|2,0,0]=4 2583 B25R3.2033538 CN(CCC1CCOCC1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100011934994 [0,1,0,0,0,1|2,0,0]=4 2584 B25R3.2033538 CN(CCC1CCOCC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100011934994 [0,1,0,0,0,1|2,0,0]=4 2585 B25R3.2033538 CN(CCN1CCCCC1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100000739454 [0,1,0,0,0,1|0,0,0]=2 2586 B25R3.2033538 CN(CCN1CCCCC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000739454 [0,1,0,0,0,1|0,0,0]=2 2587 B25R3.2033538 CN(CCN1CCOCC1)C(c2ccccc2)c3ccccc3 2230a_100000225678_100000211591 [0,1,0,0,0,1|1,0,0]=3 2588 B25R3.2033538 CN(CCN1CCOCC1)C(c2ccccc2)c3ccccc3 2230a_100103148541_100025781966 [0,1,0,0,0,1|1,0,0]=3 2589 B25R3.2033538 CN(CCN1CCOCC1)C(c2ccccc2)c3ccccc3 269982a_100000225678_100000211591 [0,1,0,0,0,1|1,0,0]=3 2590 B25R3.2033538 CN(CCN1CCOCC1)C(c2ccccc2)c3ccccc3 269982a_100103148541_100000753993 [0,1,0,0,0,1|1,0,0]=3 2591 B25R3.2033538 CN(CCN1CCOCC1)C(c2ccccc2)c3ccccc3 270004a_100000225678_100000210122 [0,1,0,0,0,1|1,0,0]=3 2592 B25R3.2033538 CN(CCN1CCOCC1)C(c2ccccc2)c3ccccn3 270004a_100000225678_100000210380 [0,1,0,0,0,1|2,0,0]=4 2593 B25R3.2033538 CN(CCN1CCOCC1)C(c2ccccc2)c3cccnc3 270004a_100000225678_100000735413 [0,1,0,0,0,1|2,0,0]=4 2594 B25R3.2033538 O=C(CCC1CCOCC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100011934994 [0,1,0,0,0,1|2,0,0]=4 2595 B25R3.2033538 O=C(CCN1CCCCC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000739454 [0,1,0,0,0,1|0,0,0]=2 2596 B25R3.2033538 O=C(CCN1CCCCC1)C(c2ccccc2)c3ccccc3 1458a_100000743487_100011216954 [0,1,0,0,0,1|0,0,0]=2 2597 B25R3.2033538 O=C(CCN1CCCCO1)C(c2ccccc2)c3ccccc3 1458a_200015184090_100011216954 [0,1,0,0,0,1|1,0,0]=3 2598 B25R3.2033538 O=C(CCN1CCOCC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100000753993 [0,1,0,0,0,1|1,0,0]=3 2599 B25R3.2033538 O=C(CCN1CCOCC1)C(c2ccccc2)c3ccccc3 1458a_100000749337_100011216954 [0,1,0,0,0,1|1,0,0]=3 2600 B25R3.2033538 O=C(COC1CCCCC1)C(c2ccccc2)c3ccccc3 1458a_100000210944_100011935260 [0,1,0,0,0,1|1,0,1]=4 2601 B25R3.2033538 O=C(COC1CCCCC1)C(c2ccccc2)c3ccccc3 1458a_100011223303_100011216954 [0,1,0,0,0,1|1,0,1]=4 2602 B25R3.2033538 O=C(NCC1CCCCC1)C(c2ccccc2)c3ccccc3 11a_100000210473_100000210944 [0,1,0,0,0,1|1,0,1]=4 2603 B25R3.2033538 O=C(NCC1CCCCC1)C(c2ccccc2)c3ccccc3 1626a_100000210473_100000210944 [0,1,0,0,0,1|1,0,1]=4 2604 B25R3.2033538 O=C(NCC1CCCCC1)C(c2ccccc2)c3ccccc3 240690a_100000210473_100000210944 [0,1,0,0,0,1|1,0,1]=4 2605 B25R3.2033538 O=C(NCC1CCCCC1)C(c2ccccc2)c3ccccc3 527a_100000210473_100000210944 [0,1,0,0,0,1|1,0,1]=4 2606 B25R3.2577903 Brc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 2230a_100011212009_100011934994 [0,1,0,0,0,1|2,0,0]=4 2607 B25R3.2577903 Brc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100011267660 [0,1,0,0,0,1|2,0,0]=4 2608 B25R3.2577903 Brc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 34a_100011212009_100011934994 [0,1,0,0,0,1|2,0,0]=4 2609 B25R3.2577903 Brc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 2230a_100011212009_100000739454 [0,1,0,0,0,1|0,0,0]=2 2610 B25R3.2577903 Brc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100011267660 [0,1,0,0,0,1|0,0,0]=2 2611 B25R3.2577903 Brc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 34a_100011212009_100000739454 [0,1,0,0,0,1|0,0,0]=2 2612 B25R3.2577903 Brc1cccc(c1)C(NCCN2CCOCC2)c3ccccc3 2230a_100011212009_100025781966 [0,1,0,0,0,1|1,0,0]=3 2613 B25R3.2577903 Brc1cccc(c1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100011267660 [0,1,0,0,0,1|1,0,0]=3 2614 B25R3.2577903 Brc1cccc(c1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100011267660 [0,1,0,0,0,1|1,0,0]=3 2615 B25R3.2577903 Brc1cncc(c1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100011267668 [0,1,0,0,0,1|1,0,0]=3 2616 B25R3.2577903 Brc1cncc(c1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100011267668 [0,1,0,0,0,1|2,0,0]=4 2617 B25R3.2577903 Brc1cncc(c1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100011267668 [0,1,0,0,0,1|2,0,0]=4 2618 B25R3.2577903 Cc1cccc(c1)C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100011217825 [0,1,0,0,0,1|2,0,0]=4 2619 B25R3.2577903 Cc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100011217825 [0,1,0,0,0,1|2,0,0]=4 2620 B25R3.2577903 Cc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100011217825 [0,1,0,0,0,1|0,0,0]=2 2621 B25R3.2577903 Cc1cccc(c1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100011217825 [0,1,0,0,0,1|1,0,0]=3 2622 B25R3.2577903 Cc1cccc(c1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100011217825 [0,1,0,0,0,1|1,0,0]=3 2623 B25R3.2577903 Clc1cccc(c1)C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_100011215489 [0,1,0,0,0,1|2,0,0]=4 2624 B25R3.2577903 Clc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000741085_100011934994 [0,1,0,0,0,1|2,0,0]=4 2625 B25R3.2577903 Clc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_100011215489 [0,1,0,0,0,1|2,0,0]=4 2626 B25R3.2577903 Clc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 34a_100000741085_100011934994 [0,1,0,0,0,1|2,0,0]=4 2627 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 2230a_100000741085_100000739454 [0,1,0,0,0,1|0,0,0]=2 2628 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_100011215489 [0,1,0,0,0,1|0,0,0]=2 2629 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 34a_100000741085_100000739454 [0,1,0,0,0,1|0,0,0]=2 2630 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCCCC2)c3ccccn3 270004a_100000216509_100000688346 [0,1,0,0,0,1|1,0,0]=3 2631 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCCCC2)c3cccnc3 270004a_100000216509_100000752423 [0,1,0,0,0,1|1,0,0]=3 2632 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCOCC2)c3ccccc3 2230a_100000741085_100025781966 [0,1,0,0,0,1|1,0,0]=3 2633 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_100011215489 [0,1,0,0,0,1|1,0,0]=3 2634 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCOCC2)c3ccccn3 270004a_100000211067_100000688346 [0,1,0,0,0,1|2,0,0]=4 2635 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCOCC2)c3cccnc3 270004a_100000211067_100000752423 [0,1,0,0,0,1|2,0,0]=4 2636 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_100011215489 [0,1,0,0,0,1|1,0,0]=3 2637 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCSCC2)c3ccccn3 270004a_100000755026_100000688346 [0,1,0,0,0,1|2,0,0]=4 2638 B25R3.2577903 Clc1cccc(c1)C(NCCN2CCSCC2)c3cccnc3 270004a_100000755026_100000752423 [0,1,0,0,0,1|2,0,0]=4 2639 B25R3.2577903 Clc1cccc(c1)C(OCCN2CCCCC2)c3ccccc3 34a_100000733576_100000739454 [0,1,0,0,0,1|0,0,0]=2 2640 B25R3.2577903 Clc1cccc(c1)C(OCCN2CCCCC2)c3ccccc3 7a_100000733576_100000739454 [0,1,0,0,0,1|0,0,0]=2 2641 B25R3.2577903 Clc1cccc(c1)C(OCCN2CCOCC2)c3ccccc3 7a_100000733576_100000211760 [0,1,0,0,0,1|1,0,0]=3 2642 B25R3.2577903 Fc1cccc(c1)C(NCCC2CCCCO2)c3ccccc3 270004a_100015183643_200011219850 [0,1,0,0,0,1|2,0,0]=4 2643 B25R3.2577903 Fc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 2230a_100000686443_100011934994 [0,1,0,0,0,1|2,0,0]=4 2644 B25R3.2577903 Fc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 270004a_100000755988_200011219850 [0,1,0,0,0,1|2,0,0]=4 2645 B25R3.2577903 Fc1cccc(c1)C(NCCC2CCOCC2)c3ccccc3 34a_100000686443_100011934994 [0,1,0,0,0,1|2,0,0]=4 2646 B25R3.2577903 Fc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 2230a_100000686443_100000739454 [0,1,0,0,0,1|0,0,0]=2 2647 B25R3.2577903 Fc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 270004a_100000216509_200011219850 [0,1,0,0,0,1|0,0,0]=2 2648 B25R3.2577903 Fc1cccc(c1)C(NCCN2CCCCC2)c3ccccc3 34a_100000686443_100000739454 [0,1,0,0,0,1|0,0,0]=2 2649 B25R3.2577903 Fc1cccc(c1)C(NCCN2CCOCC2)c3ccccc3 2230a_100000686443_100025781966 [0,1,0,0,0,1|1,0,0]=3 2650 B25R3.2577903 Fc1cccc(c1)C(NCCN2CCOCC2)c3ccccc3 270004a_100000211067_200011219850 [0,1,0,0,0,1|1,0,0]=3 2651 B25R3.2577903 Fc1cccc(c1)C(NCCN2CCSCC2)c3ccccc3 270004a_100000755026_200011219850 [0,1,0,0,0,1|1,0,0]=3 2652 B25R3.2577903 Fc1cccc(c1)C(NCOC2CCCCC2)c3ccccc3 2230a_100000686443_100011935260 [0,1,0,0,0,1|2,0,0]=4 2653 B25R3.2577903 Fc1cccc(c1)C(NCOC2CCCCC2)c3ccccc3 34a_100000686443_100011935260 [0,1,0,0,0,1|2,0,0]=4 2654 B25R3.2577903 Fc1cccc(c1)C(OCCC2CCOCC2)c3ccccc3 34a_100000749007_100011934994 [0,1,0,0,0,1|2,0,0]=4 2655 B25R3.2577903 Fc1cccc(c1)C(OCCC2CCOCC2)c3ccccc3 7a_100000749007_100011934994 [0,1,0,0,0,1|2,0,0]=4 2656 B25R3.2577903 Fc1cccc(c1)C(OCCN2CCCCC2)c3ccccc3 34a_100000749007_100000739454 [0,1,0,0,0,1|0,0,0]=2 2657 B25R3.2577903 Fc1cccc(c1)C(OCCN2CCCCC2)c3ccccc3 7a_100000749007_100000739454 [0,1,0,0,0,1|0,0,0]=2 2658 B25R3.2577903 Fc1cccc(c1)C(OCCN2CCOCC2)c3ccccc3 7a_100000749007_100000211760 [0,1,0,0,0,1|1,0,0]=3 2659 B25R3.3975663 CC(CNCC1CCCCO1)(c2ccccc2)c3ccccc3 2230a_100000706881_100000211543 [0,1,0,0,0,1|2,0,0]=4 2660 B25R3.3975663 CC(CNCC1CCCOC1)(c2ccccc2)c3ccccc3 2230a_100000706881_100000741521 [0,1,0,0,0,1|2,0,0]=4 2661 B25R3.3975663 CC(CNCC1CCOCC1)(c2ccccc2)c3ccccc3 2230a_100000706881_100000754603 [0,1,0,0,0,1|2,0,0]=4 2662 B25R3.3975663 CC(CNCC1CCOCC1)(c2ccccc2)c3ccccc3 269862a_100000706881_100000749017 [0,1,0,0,0,1|2,0,0]=4 2663 B25R3.3975663 CC(CNCC1CCSCC1)(c2ccccc2)c3ccccc3 269862a_100000706881_100000067145 [0,1,0,0,0,1|2,0,0]=4 2664 B25R3.3975663 CC(CNCC1CCSCC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100000067145 [0,1,0,0,0,1|2,0,0]=4 2665 B25R3.3975663 CC(OCCC1CCOCC1)(c2ccccc2)c3ccccc3 7a_100011202337_100011934994 [0,1,0,0,0,1|2,0,0]=4 2666 B25R3.3975663 CC(OCCN1CCCCC1)(c2ccccc2)c3ccccc3 7a_100011202337_100000739454 [0,1,0,0,0,1|0,0,0]=2 2667 B25R3.3975663 CC(OCCN1CCCCC1)(c2ccccc2)c3ccccn3 7a_200000075192_100000739454 [0,1,0,0,0,1|1,0,0]=3 2668 B25R3.3975663 CC(OCCN1CCOCC1)(c2ccccc2)c3ccccc3 7a_100011202337_100000211760 [0,1,0,0,0,1|1,0,0]=3 2669 B25R3.3975663 CC(OCCN1CCOCC1)(c2ccccc2)c3ccccn3 7a_200000075192_100000211760 [0,1,0,0,0,1|2,0,0]=4 2670 B25R3.3975663 O=P(COCC1CCCCC1)(c2ccccc2)c3ccccc3 34a_200000030349_100000211423 [0,1,0,0,0,1|2,0,0]=4 2671 B25R3.3975663 O=P(COCC1CCCCC1)(c2ccccc2)c3ccccc3 7a_200000030349_100000211423 [0,1,0,0,0,1|2,0,0]=4 2672 B25R3.18363890 CC1(CCOCC1)CNCC(c2ccccc2)c3ccccc3 269862a_100000739227_100000701351 [0,1,0,0,0,1|2,0,0]=4 2673 B25R3.18363890 CC1(CCOCC1)NCCC(c2ccccc2)c3ccccc3 2230a_100000692449_100009813428 [0,1,0,0,0,1|2,0,0]=4 2674 B25R3.18363890 CC1(CCOCC1)NCCC(c2ccccc2)c3ccccc3 34a_100000692449_100009813428 [0,1,0,0,0,1|2,0,0]=4 2675 B25R3.18363890 CC1(CCOCC1)OCCC(c2ccccc2)c3ccccc3 34a_100011827762_100009813428 [0,1,0,0,0,1|2,0,0]=4 2676 B25R3.18363890 CC1(CCOCC1)OCCC(c2ccccc2)c3ccccc3 7a_100011827762_100009813428 [0,1,0,0,0,1|2,0,0]=4 2677 B25R3.18363890 OC1(CCCCC1)CCNC(c2ccccc2)c3ccccc3 2230a_100102740465_100000211591 [0,1,0,0,0,1|1,0,0]=3 2678 B25R3.18363890 OC1(CCCCC1)CCNC(c2ccccc2)c3ccccc3 270004a_100102740465_100000210122 [0,1,0,0,0,1|1,0,0]=3 2679 B25R3.18363890 OC1(CCCCC1)CCNC(c2ccccc2)c3ccccn3 270004a_100102740465_100000210380 [0,1,0,0,0,1|2,0,0]=4 2680 B25R3.18363890 OC1(CCCCC1)CCNC(c2ccccc2)c3cccnc3 270004a_100102740465_100000735413 [0,1,0,0,0,1|2,0,0]=4 2681 B25R3.46108 O=C1CCCCCC1OCC(c2ccccc2)c3ccccc3 7a_100011215272_100000243696 [0,1,0,0,0,1|2,0,0]=4 2682 B25R3.6509934 CC(CC(c1ccccc1)c2ccccc2)N3CCCOCC3 270004a_100000685342_200000011111 [0,1,0,0,0,1|0,0,0]=2 2683 B25R3.6509934 O=C(CC(c1ccccc1)c2ccccc2)N3CCCCCC3 11a_100000185865_100000499737 [0,1,0,0,0,1|0,0,1]=3 2684 B25R3.6509934 O=C(CC(c1ccccc1)c2ccccc2)N3CCCCCC3 1626a_100000185865_100000499737 [0,1,0,0,0,1|0,0,1]=3 2685 B25R3.6509934 O=C(CC(c1ccccc1)c2ccccc2)N3CCCCCC3 240690a_100000185865_100000499737 [0,1,0,0,0,1|0,0,1]=3 2686 B25R3.6509934 O=C(CC(c1ccccc1)c2ccccc2)N3CCCCCC3 527a_100000185865_100000499737 [0,1,0,0,0,1|0,0,1]=3 2687 B25R3.6509934 O=C(CC(c1ccccc1)c2ccccc2)N3CCCOCC3 11a_100000685342_100000499737 [0,1,0,0,0,1|0,0,1]=3 2688 B25R3.6509934 O=C(CC(c1ccccc1)c2ccccc2)N3CCCOCC3 1626a_100000685342_100000499737 [0,1,0,0,0,1|0,0,1]=3 2689 B25R3.6509934 O=C(CC(c1ccccc1)c2ccccc2)N3CCCOCC3 240690a_100000685342_100000499737 [0,1,0,0,0,1|0,0,1]=3 2690 B25R3.6509934 O=C(CC(c1ccccc1)c2ccccc2)N3CCCOCC3 527a_100000685342_100000499737 [0,1,0,0,0,1|0,0,1]=3 2691 B25R3.6509934 O=C(CP(c1ccccc1)c2ccccc2)N3CCCCCC3 11a_100000185865_200020607205 [0,1,0,0,0,1|1,0,1]=4 2692 B25R3.6509934 O=C(CP(c1ccccc1)c2ccccc2)N3CCCCCC3 1626a_100000185865_200020607205 [0,1,0,0,0,1|1,0,1]=4 2693 B25R3.6509934 O=C(CP(c1ccccc1)c2ccccc2)N3CCCCCC3 240690a_100000185865_200020607205 [0,1,0,0,0,1|1,0,1]=4 2694 B25R3.6509934 O=C(CP(c1ccccc1)c2ccccc2)N3CCCCCC3 527a_100000185865_200020607205 [0,1,0,0,0,1|1,0,1]=4 2695 B25R3.6509934 O=C(CP(c1ccccc1)c2ccccc2)N3CCCOCC3 11a_100000685342_200020607205 [0,1,0,0,0,1|1,0,1]=4 2696 B25R3.6509934 O=C(CP(c1ccccc1)c2ccccc2)N3CCCOCC3 1626a_100000685342_200020607205 [0,1,0,0,0,1|1,0,1]=4 2697 B25R3.6509934 O=C(CP(c1ccccc1)c2ccccc2)N3CCCOCC3 240690a_100000685342_200020607205 [0,1,0,0,0,1|1,0,1]=4 2698 B25R3.6509934 O=C(CP(c1ccccc1)c2ccccc2)N3CCCOCC3 527a_100000685342_200020607205 [0,1,0,0,0,1|1,0,1]=4 2699 B25R3.13948184 O=C1CN(CCCN1)CCC(c2ccccc2)c3ccccc3 2230a_100015190381_100009813428 [0,1,0,0,0,1|0,0,1]=3 2700 B25R3.13948184 O=C1CN(CCCN1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015190381_100010140906 [0,1,0,0,0,1|1,0,1]=4 2701 B25R3.13948184 OC1CCCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100025706797_100000050448 [0,1,0,0,0,1|0,0,2]=4 2702 B25R3.13948184 OC1CCCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100025706797_100009813428 [0,1,0,0,0,1|0,0,0]=2 2703 B25R3.13948184 OC1CCCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100025706797_100009813428 [0,1,0,0,0,1|0,0,0]=2 2704 B25R3.13948184 OC1CCCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100025706797_100010140906 [0,1,0,0,0,1|1,0,0]=3 2705 B25R3.13948184 OC1CCCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100025706797_100010140906 [0,1,0,0,0,1|1,0,0]=3 2706 B25R3.13948184 O[C@H]1COCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100016073750_100000050448 [0,1,0,0,0,1|0,0,2]=4 2707 B25R3.13948184 O[C@H]1COCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100016073750_100009813428 [0,1,0,0,0,1|0,0,0]=2 2708 B25R3.13948184 O[C@H]1COCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100016073750_100009813428 [0,1,0,0,0,1|0,0,0]=2 2709 B25R3.13948184 O[C@H]1COCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100016073750_100010140906 [0,1,0,0,0,1|1,0,0]=3 2710 B25R3.13948184 O[C@H]1COCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100016073750_100010140906 [0,1,0,0,0,1|1,0,0]=3 2711 B25R3.17940601 CC1CCCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100025706717_100010140906 [0,1,0,0,0,1|1,0,0]=3 2712 B25R3.17940601 CC1CCCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100025706717_100010140906 [0,1,0,0,0,1|1,0,0]=3 2713 B25R3.17940601 CN1CCCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000211313_100000050448 [0,1,0,0,0,1|0,0,2]=4 2714 B25R3.17940601 CN1CCCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000211313_100009813428 [0,1,0,0,0,1|0,0,0]=2 2715 B25R3.17940601 CN1CCCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000211313_100009813428 [0,1,0,0,0,1|0,0,0]=2 2716 B25R3.17940601 CN1CCCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000211313_100010140906 [0,1,0,0,0,1|1,0,0]=3 2717 B25R3.17940601 CN1CCCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000211313_100010140906 [0,1,0,0,0,1|1,0,0]=3 2718 B25R3.17940601 O=C1CCN(CCN1)CCC(c2ccccc2)c3ccccc3 2230a_100000698595_100009813428 [0,1,0,0,0,1|0,0,1]=3 2719 B25R3.17940601 O=C1CCN(CCN1)CCC(c2ccccc2)c3ccccc3 269982a_100000698595_100009813428 [0,1,0,0,0,1|0,0,1]=3 2720 B25R3.17940601 O=C1CCN(CCN1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000698595_100010140906 [0,1,0,0,0,1|1,0,1]=4 2721 B25R3.17940601 O=C1CCN(CCN1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000698595_100010140906 [0,1,0,0,0,1|1,0,1]=4 2722 B25R3.17940601 OC1CCCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100015186869_100000050448 [0,1,0,0,0,1|0,0,2]=4 2723 B25R3.17940601 OC1CCCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100015186869_100009813428 [0,1,0,0,0,1|0,0,0]=2 2724 B25R3.17940601 OC1CCCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100015186869_100009813428 [0,1,0,0,0,1|0,0,0]=2 2725 B25R3.17940601 OC1CCCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015186869_100010140906 [0,1,0,0,0,1|1,0,0]=3 2726 B25R3.17940601 OC1CCCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015186869_100010140906 [0,1,0,0,0,1|1,0,0]=3 2727 B25R3.32596367 O=C(CN1CCCCCC1)C(c2ccccc2)c3ccccc3 1458a_100000740298_100011216954 [0,1,0,0,0,1|0,0,1]=3 2728 B25R3.32596367 O=C(CN1CCCCCC1)N(c2ccccc2)c3ccccc3 2230a_100000185865_200015198546 [0,1,0,0,0,1|1,0,1]=4 2729 B25R3.32596367 O=C(CN1CCCCCC1)N(c2ccccc2)c3ccccc3 269982a_100000185865_200015198546 [0,1,0,0,0,1|1,0,1]=4 2730 B25R3.32596367 O=C(CN1CCCOCC1)N(c2ccccc2)c3ccccc3 2230a_100000685342_200015198546 [0,1,0,0,0,1|1,0,1]=4 2731 B25R3.32596367 O=C(CN1CCCOCC1)N(c2ccccc2)c3ccccc3 269982a_100000685342_200015198546 [0,1,0,0,0,1|1,0,1]=4 2732 B25R3.32690298 CC(CNC1CCCNCC1)(c2ccccc2)c3ccccc3 270004a_100000706881_100015187895 [0,1,0,0,0,1|2,0,0]=4 2733 B25R3.1136 C=C1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 11a_100000752442_100000499737 [0,2,0,0,0,0|0,0,2]=4 2734 B25R3.1136 C=C1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 1626a_100000752442_100000499737 [0,2,0,0,0,0|0,0,2]=4 2735 B25R3.1136 C=C1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 240690a_100000752442_100000499737 [0,2,0,0,0,0|0,0,2]=4 2736 B25R3.1136 C=C1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 527a_100000752442_100000499737 [0,2,0,0,0,0|0,0,2]=4 2737 B25R3.1136 CC(CC(c1ccccc1)c2ccccc2)N3CCC(CC3)O 270004a_100025773856_200000011111 [0,2,0,0,0,0|0,0,0]=2 2738 B25R3.1136 CC(CC(c1ccccc1)c2ccccc2)N3CCN(CC3)C 270004a_100000188432_200000011111 [0,2,0,0,0,0|1,0,0]=3 2739 B25R3.1136 CC(CC(c1ccccc1)c2ccccc2)N3CCS(=O)CC3 270004a_100000752083_200000011111 [0,2,0,0,0,0|1,0,0]=3 2740 B25R3.1136 CC1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 240690a_100000188429_100000499737 [0,2,0,0,0,0|0,0,1]=3 2741 B25R3.1136 CC1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 527a_100000188429_100000499737 [0,2,0,0,0,0|0,0,1]=3 2742 B25R3.1136 CC1CCN(CC1)C(=O)CP(c2ccccc2)c3ccccc3 240690a_100000188429_200020607205 [0,2,0,0,0,0|1,0,1]=4 2743 B25R3.1136 CC1CCN(CC1)C(=O)CP(c2ccccc2)c3ccccc3 527a_100000188429_200020607205 [0,2,0,0,0,0|1,0,1]=4 2744 B25R3.1136 CN1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 11a_100000188432_100000499737 [0,2,0,0,0,0|1,0,1]=4 2745 B25R3.1136 CN1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 240690a_100000188432_100000499737 [0,2,0,0,0,0|1,0,1]=4 2746 B25R3.1136 CN1CCN(CC1)C(=O)CC(c2ccccc2)c3ccccc3 527a_100000188432_100000499737 [0,2,0,0,0,0|1,0,1]=4 2747 B25R3.1136 O=C(CC(c1ccccc1)c2ccccc2)N3CCC(CC3)F 11a_100015193889_100000499737 [0,2,0,0,0,0|0,0,1]=3 2748 B25R3.1136 O=C(CC(c1ccccc1)c2ccccc2)N3CCC(CC3)F 1626a_100015193889_100000499737 [0,2,0,0,0,0|0,0,1]=3 2749 B25R3.1136 O=C(CC(c1ccccc1)c2ccccc2)N3CCC(CC3)F 240690a_100015193889_100000499737 [0,2,0,0,0,0|0,0,1]=3 2750 B25R3.1136 O=C(CC(c1ccccc1)c2ccccc2)N3CCC(CC3)F 527a_100015193889_100000499737 [0,2,0,0,0,0|0,0,1]=3 2751 B25R3.1136 O=C(CC(c1ccccc1)c2ccccc2)N3CCC(CC3)O 240690a_100025773856_100000499737 [0,2,0,0,0,0|0,0,1]=3 2752 B25R3.1136 O=C(CC(c1ccccc1)c2ccccc2)N3CCC(CC3)O 527a_100025773856_100000499737 [0,2,0,0,0,0|0,0,1]=3 2753 B25R3.1136 O=C(CC(c1ccccc1)c2ccccc2)N3CCS(=O)CC3 240690a_100000752083_100000499737 [0,2,0,0,0,0|1,0,1]=4 2754 B25R3.1136 O=C(CC(c1ccccc1)c2ccccc2)N3CCS(=O)CC3 527a_100000752083_100000499737 [0,2,0,0,0,0|1,0,1]=4 2755 B25R3.1136 O=C(CP(c1ccccc1)c2ccccc2)N3CCC(CC3)F 11a_100015193889_200020607205 [0,2,0,0,0,0|1,0,1]=4 2756 B25R3.1136 O=C(CP(c1ccccc1)c2ccccc2)N3CCC(CC3)F 1626a_100015193889_200020607205 [0,2,0,0,0,0|1,0,1]=4 2757 B25R3.1136 O=C(CP(c1ccccc1)c2ccccc2)N3CCC(CC3)F 240690a_100015193889_200020607205 [0,2,0,0,0,0|1,0,1]=4 2758 B25R3.1136 O=C(CP(c1ccccc1)c2ccccc2)N3CCC(CC3)F 527a_100015193889_200020607205 [0,2,0,0,0,0|1,0,1]=4 2759 B25R3.1136 O=C(CP(c1ccccc1)c2ccccc2)N3CCC(CC3)O 240690a_100025773856_200020607205 [0,2,0,0,0,0|1,0,1]=4 2760 B25R3.1136 O=C(CP(c1ccccc1)c2ccccc2)N3CCC(CC3)O 527a_100025773856_200020607205 [0,2,0,0,0,0|1,0,1]=4 2761 B25R3.24883 N#CC(NC(c1ccccc1)c2ccccc2)C3CCCCC3 2230a_100000767018_100000211591 [0,2,0,0,0,0|2,0,0]=4 2762 B25R3.24883 N#CC(NC(c1ccccc1)c2ccccc2)C3CCCCC3 270004a_100000767018_100000210122 [0,2,0,0,0,0|2,0,0]=4 2763 B25R3.24883 OC[C@H](NC(c1ccccc1)c2ccccc2)C3CCCCC3 2230a_100009817630_100000211591 [0,2,0,0,0,0|2,0,0]=4 2764 B25R3.24883 OC[C@H](NC(c1ccccc1)c2ccccc2)C3CCCCC3 270004a_100009817630_100000210122 [0,2,0,0,0,0|2,0,0]=4 2765 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCCOC3 11a_100000131196_100015187286 [0,2,0,0,0,0|1,0,1]=4 2766 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCCOC3 240690a_100000131196_100015187286 [0,2,0,0,0,0|1,0,1]=4 2767 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCOCC3 11a_100015191051_100015187286 [0,2,0,0,0,0|1,0,1]=4 2768 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCOCC3 1626a_100015191051_100015187286 [0,2,0,0,0,0|1,0,1]=4 2769 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCOCC3 240690a_100015191051_100015187286 [0,2,0,0,0,0|1,0,1]=4 2770 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCOCC3 527a_100015191051_100015187286 [0,2,0,0,0,0|1,0,1]=4 2771 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCSCC3 11a_100000737611_100015187286 [0,2,0,0,0,0|1,0,1]=4 2772 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCSCC3 240690a_100000737611_100015187286 [0,2,0,0,0,0|1,0,1]=4 2773 B25R3.45469 O=C(CC(c1ccccc1)c2ccccc2Cl)N3CCSCC3 527a_100000737611_100015187286 [0,2,0,0,0,0|1,0,1]=4 2774 B25R3.68061 CC(CC(c1ccccc1)c2ccccc2)N3CCCC(C3)O 270004a_100000211013_200000011111 [0,2,0,0,0,0|0,0,0]=2 2775 B25R3.68061 CC(CC(c1ccccc1)c2ccccc2)N3CCNC(=O)C3 270004a_100000184651_200000011111 [0,2,0,0,0,0|1,0,1]=4 2776 B25R3.68061 CC(CC(c1ccccc1)c2ccccc2)N3CCOC(=O)C3 270004a_100000131268_200000011111 [0,2,0,0,0,0|1,0,1]=4 2777 B25R3.68061 CC(CC(c1ccccc1)c2ccccc2)N3CCOC(C3)O 270004a_100000688207_200000011111 [0,2,0,0,0,0|1,0,0]=3 2778 B25R3.68061 CC1CN(CCO1)C(=O)CC(c2ccccc2)c3ccccc3 11a_100000729577_100000499737 [0,2,0,0,0,0|1,0,1]=4 2779 B25R3.68061 CC1CN(CCO1)C(=O)CC(c2ccccc2)c3ccccc3 1626a_100000729577_100000499737 [0,2,0,0,0,0|1,0,1]=4 2780 B25R3.68061 CC1CN(CCO1)C(=O)CC(c2ccccc2)c3ccccc3 240690a_100000729577_100000499737 [0,2,0,0,0,0|1,0,1]=4 2781 B25R3.68061 CC1CN(CCO1)C(=O)CC(c2ccccc2)c3ccccc3 527a_100000729577_100000499737 [0,2,0,0,0,0|1,0,1]=4 2782 B25R3.68061 CC1CN(CCO1)C(C)CC(c2ccccc2)c3ccccc3 270004a_100000729577_200000011111 [0,2,0,0,0,0|1,0,0]=3 2783 B25R3.68061 C[C@H]1CCCN(C1)C(=O)CC(c2ccccc2)c3ccccc3 11a_100000717927_100000499737 [0,2,0,0,0,0|0,0,1]=3 2784 B25R3.68061 C[C@H]1CCCN(C1)C(=O)CC(c2ccccc2)c3ccccc3 240690a_100000717927_100000499737 [0,2,0,0,0,0|0,0,1]=3 2785 B25R3.68061 C[C@H]1CCCN(C1)C(=O)CC(c2ccccc2)c3ccccc3 527a_100000717927_100000499737 [0,2,0,0,0,0|0,0,1]=3 2786 B25R3.68061 C[C@H]1CCCN(C1)C(=O)CP(c2ccccc2)c3ccccc3 11a_100000717927_200020607205 [0,2,0,0,0,0|1,0,1]=4 2787 B25R3.68061 C[C@H]1CCCN(C1)C(=O)CP(c2ccccc2)c3ccccc3 240690a_100000717927_200020607205 [0,2,0,0,0,0|1,0,1]=4 2788 B25R3.68061 C[C@H]1CCCN(C1)C(=O)CP(c2ccccc2)c3ccccc3 527a_100000717927_200020607205 [0,2,0,0,0,0|1,0,1]=4 2789 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCCC(C3)F 11a_100000697950_100000499737 [0,2,0,0,0,0|0,0,1]=3 2790 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCCC(C3)F 1626a_100000697950_100000499737 [0,2,0,0,0,0|0,0,1]=3 2791 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCCC(C3)F 240690a_100000697950_100000499737 [0,2,0,0,0,0|0,0,1]=3 2792 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCCC(C3)F 527a_100000697950_100000499737 [0,2,0,0,0,0|0,0,1]=3 2793 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCCC(C3)O 240690a_100000211013_100000499737 [0,2,0,0,0,0|0,0,1]=3 2794 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCCC(C3)O 527a_100000211013_100000499737 [0,2,0,0,0,0|0,0,1]=3 2795 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCOC(C3)O 11a_100000688207_100000499737 [0,2,0,0,0,0|1,0,1]=4 2796 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCOC(C3)O 240690a_100000688207_100000499737 [0,2,0,0,0,0|1,0,1]=4 2797 B25R3.68061 O=C(CC(c1ccccc1)c2ccccc2)N3CCOC(C3)O 527a_100000688207_100000499737 [0,2,0,0,0,0|1,0,1]=4 2798 B25R3.68061 O=C(CP(c1ccccc1)c2ccccc2)N3CCCC(C3)F 11a_100000697950_200020607205 [0,2,0,0,0,0|1,0,1]=4 2799 B25R3.68061 O=C(CP(c1ccccc1)c2ccccc2)N3CCCC(C3)F 1626a_100000697950_200020607205 [0,2,0,0,0,0|1,0,1]=4 2800 B25R3.68061 O=C(CP(c1ccccc1)c2ccccc2)N3CCCC(C3)F 240690a_100000697950_200020607205 [0,2,0,0,0,0|1,0,1]=4 2801 B25R3.68061 O=C(CP(c1ccccc1)c2ccccc2)N3CCCC(C3)F 527a_100000697950_200020607205 [0,2,0,0,0,0|1,0,1]=4 2802 B25R3.68061 O=C(CP(c1ccccc1)c2ccccc2)N3CCCC(C3)O 240690a_100000211013_200020607205 [0,2,0,0,0,0|1,0,1]=4 2803 B25R3.68061 O=C(CP(c1ccccc1)c2ccccc2)N3CCCC(C3)O 527a_100000211013_200020607205 [0,2,0,0,0,0|1,0,1]=4 2804 B25R3.2609278 CC(CC(c1ccccc1)c2ccccc2)N3CCOC[C@@H]3C 270004a_100009815349_200000011111 [0,2,0,0,0,0|1,0,0]=3 2805 B25R3.2609278 CC1CCCCN1C(=O)CC(c2ccccc2)c3ccccc3 11a_100000211376_100000499737 [0,2,0,0,0,0|0,0,1]=3 2806 B25R3.2609278 CC1CCCCN1C(=O)CC(c2ccccc2)c3ccccc3 1626a_100000211376_100000499737 [0,2,0,0,0,0|0,0,1]=3 2807 B25R3.2609278 CC1CCCCN1C(=O)CC(c2ccccc2)c3ccccc3 240690a_100000211376_100000499737 [0,2,0,0,0,0|0,0,1]=3 2808 B25R3.2609278 CC1CCCCN1C(=O)CC(c2ccccc2)c3ccccc3 527a_100000211376_100000499737 [0,2,0,0,0,0|0,0,1]=3 2809 B25R3.2609278 CC1CCCCN1C(=O)CP(c2ccccc2)c3ccccc3 11a_100000211376_200020607205 [0,2,0,0,0,0|1,0,1]=4 2810 B25R3.2609278 CC1CCCCN1C(=O)CP(c2ccccc2)c3ccccc3 1626a_100000211376_200020607205 [0,2,0,0,0,0|1,0,1]=4 2811 B25R3.2609278 CC1CCCCN1C(=O)CP(c2ccccc2)c3ccccc3 240690a_100000211376_200020607205 [0,2,0,0,0,0|1,0,1]=4 2812 B25R3.2609278 CC1CCCCN1C(=O)CP(c2ccccc2)c3ccccc3 527a_100000211376_200020607205 [0,2,0,0,0,0|1,0,1]=4 2813 B25R3.2609278 C[C@H]1COCCN1C(=O)CC(c2ccccc2)c3ccccc3 11a_100009815349_100000499737 [0,2,0,0,0,0|1,0,1]=4 2814 B25R3.2609278 C[C@H]1COCCN1C(=O)CC(c2ccccc2)c3ccccc3 240690a_100009815349_100000499737 [0,2,0,0,0,0|1,0,1]=4 2815 B25R3.2609278 C[C@H]1COCCN1C(=O)CC(c2ccccc2)c3ccccc3 527a_100009815349_100000499737 [0,2,0,0,0,0|1,0,1]=4 2816 B25R3.6896509 C[C@@H](C(=O)C(c1ccccc1)c2ccccc2)N3CCOCC3 1458a_100000729938_100011216954 [0,2,0,0,0,0|1,0,1]=4 2817 B25R3.6896509 O=C(C(=O)N1CCCCC1)C(c2ccccc2)c3ccccc3 1458a_200011297168_100011216954 [0,2,0,0,0,0|0,0,2]=4 2818 B25R3.6896509 O=C(C(c1ccccc1)c2ccccc2)C(O)C3CCCCC3 1458a_100000242593_100011216954 [0,2,0,0,0,0|1,0,1]=4 2819 B25R3.12843 COc1cccc(c1)C(NCC2CCCCC2)c3ccccc3 2230a_100000296159_100000211423 [0,2,0,0,0,0|2,0,0]=4 2820 B25R3.12843 COc1cccc(c1)C(NCC2CCCCC2)c3ccccc3 269862a_100000296159_100000211278 [0,2,0,0,0,0|2,0,0]=4 2821 B25R3.12843 COc1cccc(c1)C(NCC2CCCCC2)c3ccccc3 34a_100000296159_100000211423 [0,2,0,0,0,0|2,0,0]=4 2822 B25R3.2577721 Cc1cccc(c1)C(NCC2CCCCC2O)c3ccccc3 270004a_100011216029_100011217825 [0,2,0,0,0,0|2,0,0]=4 2823 B25R3.2577721 OC1CCCCC1CNC(c2ccccc2)c3cccc(c3)Br 270004a_100011216029_100011267660 [0,2,0,0,0,0|2,0,0]=4 2824 B25R3.2577721 OC1CCCCC1CNC(c2ccccc2)c3cccc(c3)Cl 270004a_100011216029_100011215489 [0,2,0,0,0,0|2,0,0]=4 2825 B25R3.2577721 OC1CCCCC1CNC(c2ccccc2)c3cccc(c3)F 270004a_100011216029_200011219850 [0,2,0,0,0,0|2,0,0]=4 2826 B25R3.29688027 Cc1cccc(c1)C(NCC2CCCC(C2)O)c3ccccc3 270004a_100011254705_100011217825 [0,2,0,0,0,0|2,0,0]=4 2827 B25R3.29688027 OC1CCCC(C1)CNC(c2ccccc2)c3cccc(c3)Br 270004a_100011254705_100011267660 [0,2,0,0,0,0|2,0,0]=4 2828 B25R3.29688027 OC1CCCC(C1)CNC(c2ccccc2)c3cccc(c3)Cl 270004a_100011254705_100011215489 [0,2,0,0,0,0|2,0,0]=4 2829 B25R3.29688027 OC1CCCC(C1)CNC(c2ccccc2)c3cccc(c3)F 270004a_100011254705_200011219850 [0,2,0,0,0,0|2,0,0]=4 2830 B25R3.123585167 Cc1cccc(c1)C(NCC2(CCCCC2)O)c3ccccc3 270004a_100000748649_100011217825 [0,2,0,0,0,0|2,0,0]=4 2831 B25R3.123585167 OC1(CCCCC1)CNC(c2ccccc2)c3cccc(c3)Br 270004a_100000748649_100011267660 [0,2,0,0,0,0|2,0,0]=4 2832 B25R3.123585167 OC1(CCCCC1)CNC(c2ccccc2)c3cccc(c3)Cl 270004a_100000748649_100011215489 [0,2,0,0,0,0|2,0,0]=4 2833 B25R3.123585167 OC1(CCCCC1)CNC(c2ccccc2)c3cccc(c3)F 270004a_100000748649_200011219850 [0,2,0,0,0,0|2,0,0]=4 2834 B25R3.13889 COc1ccccc1C(NCC2CCCCC2)c3ccccc3 270004a_100000210473_100011218802 [0,2,0,0,0,0|2,0,0]=4 2835 B25R3.2961455 Cc1ccccc1C(NCC2CCCCC2O)c3ccccc3 270004a_100011216029_100000735561 [0,2,0,0,0,0|2,0,0]=4 2836 B25R3.2961455 OC1CCCCC1CNC(c2ccccc2)c3ccccc3Br 270004a_100011216029_100000198044 [0,2,0,0,0,0|2,0,0]=4 2837 B25R3.2961455 OC1CCCCC1CNC(c2ccccc2)c3ccccc3Cl 270004a_100011216029_100011215288 [0,2,0,0,0,0|2,0,0]=4 2838 B25R3.2961455 OC1CCCCC1CNC(c2ccccc2)c3ccccc3F 270004a_100011216029_100011217773 [0,2,0,0,0,0|2,0,0]=4 2839 B25R3.29688031 Cc1ccccc1C(NCC2CCCC(C2)O)c3ccccc3 2230a_100011254705_100000230135 [0,2,0,0,0,0|2,0,0]=4 2840 B25R3.29688031 Cc1ccccc1C(NCC2CCCC(C2)O)c3ccccc3 270004a_100011254705_100000735561 [0,2,0,0,0,0|2,0,0]=4 2841 B25R3.29688031 OC1CCCC(C1)CNC(c2ccccc2)c3ccccc3Br 270004a_100011254705_100000198044 [0,2,0,0,0,0|2,0,0]=4 2842 B25R3.29688031 OC1CCCC(C1)CNC(c2ccccc2)c3ccccc3Cl 270004a_100011254705_100011215288 [0,2,0,0,0,0|2,0,0]=4 2843 B25R3.29688031 OC1CCCC(C1)CNC(c2ccccc2)c3ccccc3F 270004a_100011254705_100011217773 [0,2,0,0,0,0|2,0,0]=4 2844 B25R3.128396070 Cc1ccccc1C(NCC2(CCCCC2)O)c3ccccc3 2230a_100000748649_100000230135 [0,2,0,0,0,0|2,0,0]=4 2845 B25R3.128396070 Cc1ccccc1C(NCC2(CCCCC2)O)c3ccccc3 270004a_100000748649_100000735561 [0,2,0,0,0,0|2,0,0]=4 2846 B25R3.128396070 OC1(CCCCC1)CNC(c2ccccc2)c3ccccc3Br 270004a_100000748649_100000198044 [0,2,0,0,0,0|2,0,0]=4 2847 B25R3.128396070 OC1(CCCCC1)CNC(c2ccccc2)c3ccccc3Cl 270004a_100000748649_100011215288 [0,2,0,0,0,0|2,0,0]=4 2848 B25R3.128396070 OC1(CCCCC1)CNC(c2ccccc2)c3ccccc3F 270004a_100000748649_100011217773 [0,2,0,0,0,0|2,0,0]=4 2849 B25R3.45336 CC1CCCC(N1CC[S+](c2ccccc2)c3ccccc3)C 2230a_100000210447_100010140906 [0,2,0,0,0,0|1,0,0]=3 2850 B25R3.45336 CC1CCCC(N1CC[S+](c2ccccc2)c3ccccc3)C 269982a_100000210447_100010140906 [0,2,0,0,0,0|1,0,0]=3 2851 B25R3.45336 C[C@@H]1COC[C@@H](N1CCC(c2ccccc2)c3ccccc3)C 2230a_100103153222_100009813428 [0,2,0,0,0,0|1,0,0]=3 2852 B25R3.45336 C[C@@H]1COC[C@@H](N1CCC(c2ccccc2)c3ccccc3)C 269982a_100103153222_100009813428 [0,2,0,0,0,0|1,0,0]=3 2853 B25R3.45336 C[C@@H]1COC[C@@H](N1CCC(c2ccccc2)c3ccccc3)C 34a_100103153222_100009813428 [0,2,0,0,0,0|1,0,0]=3 2854 B25R3.45336 C[C@@H]1COC[C@@H](N1CC[S+](c2ccccc2)c3ccccc3)C 2230a_100103153222_100010140906 [0,2,0,0,0,0|2,0,0]=4 2855 B25R3.45336 C[C@@H]1COC[C@@H](N1CC[S+](c2ccccc2)c3ccccc3)C 269982a_100103153222_100010140906 [0,2,0,0,0,0|2,0,0]=4 2856 B25R3.137631 C#CC1CCCCN1CCC(c2ccccc2)c3ccccc3 2230a_200020621307_100009813428 [0,2,0,0,0,0|0,0,0]=2 2857 B25R3.137631 C#CC1CCCCN1CCC(c2ccccc2)c3ccccc3 269982a_200020621307_100009813428 [0,2,0,0,0,0|0,0,0]=2 2858 B25R3.137631 C#CC1CCCCN1CCC(c2ccccc2)c3ccccc3 34a_200020621307_100009813428 [0,2,0,0,0,0|0,0,0]=2 2859 B25R3.137631 C#CC1CCCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_200020621307_100010140906 [0,2,0,0,0,0|1,0,0]=3 2860 B25R3.137631 C#CC1CCCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_200020621307_100010140906 [0,2,0,0,0,0|1,0,0]=3 2861 B25R3.137631 CCC1CCCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_100000210034_100010140906 [0,2,0,0,0,0|1,0,0]=3 2862 B25R3.137631 CCC1CCCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_100000210034_100010140906 [0,2,0,0,0,0|1,0,0]=3 2863 B25R3.137631 CC[C@H]1COCCN1CCC(c2ccccc2)c3ccccc3 2230a_100016988097_100009813428 [0,2,0,0,0,0|1,0,0]=3 2864 B25R3.137631 CC[C@H]1COCCN1CCC(c2ccccc2)c3ccccc3 269982a_100016988097_100009813428 [0,2,0,0,0,0|1,0,0]=3 2865 B25R3.137631 CC[C@H]1COCCN1CCC(c2ccccc2)c3ccccc3 34a_100016988097_100009813428 [0,2,0,0,0,0|1,0,0]=3 2866 B25R3.137631 CC[C@H]1COCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_100016988097_100010140906 [0,2,0,0,0,0|2,0,0]=4 2867 B25R3.137631 CC[C@H]1COCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_100016988097_100010140906 [0,2,0,0,0,0|2,0,0]=4 2868 B25R3.137631 COC1CCCCC1NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000740605 [0,2,0,0,0,0|2,0,0]=4 2869 B25R3.137631 N#CC1CCCCN1CCC(c2ccccc2)c3ccccc3 34a_100016989756_100009813428 [0,2,0,0,0,0|0,0,0]=2 2870 B25R3.137631 OCC1CCCCC1NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100009861125 [0,2,0,0,0,0|2,0,0]=4 2871 B25R3.137631 OCC1CCCCN1CCC(c2ccccc2)c3ccccc3 2230a_100000210821_100009813428 [0,2,0,0,0,0|0,0,0]=2 2872 B25R3.137631 OCC1CCCCN1CCC(c2ccccc2)c3ccccc3 269982a_100000210821_100009813428 [0,2,0,0,0,0|0,0,0]=2 2873 B25R3.137631 OCC1CCCCN1CCC(c2ccccc2)c3ccccc3 34a_100000210821_100009813428 [0,2,0,0,0,0|0,0,0]=2 2874 B25R3.137631 OCC1CCCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_100000210821_100010140906 [0,2,0,0,0,0|1,0,0]=3 2875 B25R3.137631 OCC1CCCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_100000210821_100010140906 [0,2,0,0,0,0|1,0,0]=3 2876 B25R3.137631 OC[C@@H]1COCCN1CCC(c2ccccc2)c3ccccc3 2230a_100000717676_100009813428 [0,2,0,0,0,0|1,0,0]=3 2877 B25R3.137631 OC[C@@H]1COCCN1CCC(c2ccccc2)c3ccccc3 269982a_100000717676_100009813428 [0,2,0,0,0,0|1,0,0]=3 2878 B25R3.137631 OC[C@@H]1COCCN1CCC(c2ccccc2)c3ccccc3 34a_100000717676_100009813428 [0,2,0,0,0,0|1,0,0]=3 2879 B25R3.137631 OC[C@@H]1COCCN1CC[S+](c2ccccc2)c3ccccc3 2230a_100000717676_100010140906 [0,2,0,0,0,0|2,0,0]=4 2880 B25R3.137631 OC[C@@H]1COCCN1CC[S+](c2ccccc2)c3ccccc3 269982a_100000717676_100010140906 [0,2,0,0,0,0|2,0,0]=4 2881 B25R3.745268 Cc1ccc(cc1)C(NCC2CCCCC2O)c3ccccc3 270004a_100011216029_100000210966 [0,2,0,0,0,0|2,0,0]=4 2882 B25R3.745268 OC1CCCCC1CNC(c2ccccc2)c3ccc(cc3)Br 270004a_100011216029_100000718703 [0,2,0,0,0,0|2,0,0]=4 2883 B25R3.745268 OC1CCCCC1CNC(c2ccccc2)c3ccc(cc3)Cl 270004a_100011216029_100000211064 [0,2,0,0,0,0|2,0,0]=4 2884 B25R3.745268 OC1CCCCC1CNC(c2ccccc2)c3ccc(cc3)F 270004a_100011216029_100000210425 [0,2,0,0,0,0|2,0,0]=4 2885 B25R3.2630596 C[C@H]1CN(CCN1CCC(c2ccccc2)c3ccccc3)C 2230a_100012002466_100009813428 [0,2,0,0,0,0|1,0,0]=3 2886 B25R3.2630596 C[C@H]1CN(CCN1CCC(c2ccccc2)c3ccccc3)C 269982a_100012002466_100009813428 [0,2,0,0,0,0|1,0,0]=3 2887 B25R3.2630596 C[C@H]1CN(CCN1CC[S+](c2ccccc2)c3ccccc3)C 2230a_100012002466_100010140906 [0,2,0,0,0,0|2,0,0]=4 2888 B25R3.2630596 C[C@H]1CN(CCN1CC[S+](c2ccccc2)c3ccccc3)C 269982a_100012002466_100010140906 [0,2,0,0,0,0|2,0,0]=4 2889 B25R3.2892036 CC1(COCCN1CCC(c2ccccc2)c3ccccc3)C 2230a_100000724681_100009813428 [0,2,0,0,0,0|1,0,0]=3 2890 B25R3.2892036 CC1(COCCN1CCC(c2ccccc2)c3ccccc3)C 269982a_100000724681_100009813428 [0,2,0,0,0,0|1,0,0]=3 2891 B25R3.2892036 CC1(COCCN1CCC(c2ccccc2)c3ccccc3)C 34a_100000724681_100009813428 [0,2,0,0,0,0|1,0,0]=3 2892 B25R3.2892036 CC1(COCCN1CC[S+](c2ccccc2)c3ccccc3)C 2230a_100000724681_100010140906 [0,2,0,0,0,0|2,0,0]=4 2893 B25R3.2892036 CC1(COCCN1CC[S+](c2ccccc2)c3ccccc3)C 269982a_100000724681_100010140906 [0,2,0,0,0,0|2,0,0]=4 2894 B25R3.2892036 FC1(CCCCC1NCC(c2ccccc2)c3ccccc3)F 34a_100000739227_200009832135 [0,2,0,0,0,0|2,0,0]=4 2895 B25R3.2958327 CC1CCCCN1CC(=O)N(c2ccccc2)c3ccccc3 2230a_100000211376_200015198546 [0,2,0,0,0,0|1,0,1]=4 2896 B25R3.2958327 CC1CCCCN1CC(=O)N(c2ccccc2)c3ccccc3 269982a_100000211376_200015198546 [0,2,0,0,0,0|1,0,1]=4 2897 B25R3.3704162 CC1C(=O)NCCN1CCC(c2ccccc2)c3ccccc3 2230a_100000750721_100009813428 [0,2,0,0,0,0|1,0,1]=4 2898 B25R3.3704162 CC1C(=O)NCCN1CCC(c2ccccc2)c3ccccc3 269982a_100000750721_100009813428 [0,2,0,0,0,0|1,0,1]=4 2899 B25R3.3704162 CC1C(=O)NCCN1CCC(c2ccccc2)c3ccccc3 34a_100000750721_100009813428 [0,2,0,0,0,0|1,0,1]=4 2900 B25R3.3729861 C[C@@H]1CN([C@@H](CO1)C)CCC(c2ccccc2)c3ccccc3 2230a_100016991869_100009813428 [0,2,0,0,0,0|1,0,0]=3 2901 B25R3.3729861 C[C@@H]1CN([C@@H](CO1)C)CCC(c2ccccc2)c3ccccc3 269982a_100016991869_100009813428 [0,2,0,0,0,0|1,0,0]=3 2902 B25R3.3729861 C[C@@H]1CN([C@@H](CO1)C)CCC(c2ccccc2)c3ccccc3 34a_100016991869_100009813428 [0,2,0,0,0,0|1,0,0]=3 2903 B25R3.3729861 C[C@@H]1CN([C@@H](CO1)C)CC[S+](c2ccccc2)c3ccccc3 2230a_100016991869_100010140906 [0,2,0,0,0,0|2,0,0]=4 2904 B25R3.3729861 C[C@@H]1CN([C@@H](CO1)C)CC[S+](c2ccccc2)c3ccccc3 269982a_100016991869_100010140906 [0,2,0,0,0,0|2,0,0]=4 2905 B25R3.82776 C[C@H](NC1CCCCC1)C(O)(c2ccccc2)c3ccccc3 270004a_100016988073_100000210434 [0,2,0,0,0,0|2,0,0]=4 2906 B25R3.120105 CC1CCN(CC1)CC(=O)C(c2ccccc2)c3ccccc3 1458a_100000238061_100011216954 [0,2,0,0,0,0|0,0,1]=3 2907 B25R3.120105 CC1CCN(CC1)CC(=O)N(c2ccccc2)c3ccccc3 2230a_100000188429_200015198546 [0,2,0,0,0,0|1,0,1]=4 2908 B25R3.120105 CC1CCN(CC1)CC(=O)N(c2ccccc2)c3ccccc3 269982a_100000188429_200015198546 [0,2,0,0,0,0|1,0,1]=4 2909 B25R3.120105 CN1CCN(CC1)CC(=O)C(c2ccccc2)c3ccccc3 1458a_100000753313_100011216954 [0,2,0,0,0,0|1,0,1]=4 2910 B25R3.120105 O=C(CC1CCC(CC1)O)C(c2ccccc2)c3ccccc3 1458a_100012184027_100011216954 [0,2,0,0,0,0|1,0,1]=4 2911 B25R3.120105 O=C(CN1CCC(CC1)F)N(c2ccccc2)c3ccccc3 2230a_100015193889_200015198546 [0,2,0,0,0,0|1,0,1]=4 2912 B25R3.120105 O=C(CN1CCC(CC1)F)N(c2ccccc2)c3ccccc3 269982a_100015193889_200015198546 [0,2,0,0,0,0|1,0,1]=4 2913 B25R3.120105 O=C(CN1CCC(CC1)O)N(c2ccccc2)c3ccccc3 2230a_100025773856_200015198546 [0,2,0,0,0,0|1,0,1]=4 2914 B25R3.120105 O=C(CN1CCC(CC1)O)N(c2ccccc2)c3ccccc3 269982a_100025773856_200015198546 [0,2,0,0,0,0|1,0,1]=4 2915 B25R3.2580977 C[C@H]1CCCN(C1)CC(=O)N(c2ccccc2)c3ccccc3 2230a_100000717927_200015198546 [0,2,0,0,0,0|1,0,1]=4 2916 B25R3.2580977 C[C@H]1CCCN(C1)CC(=O)N(c2ccccc2)c3ccccc3 269982a_100000717927_200015198546 [0,2,0,0,0,0|1,0,1]=4 2917 B25R3.2580977 O=C(CN1CCCC(C1)F)N(c2ccccc2)c3ccccc3 2230a_100000697950_200015198546 [0,2,0,0,0,0|1,0,1]=4 2918 B25R3.2580977 O=C(CN1CCCC(C1)F)N(c2ccccc2)c3ccccc3 269982a_100000697950_200015198546 [0,2,0,0,0,0|1,0,1]=4 2919 B25R3.2580977 O=C(CN1CCCC(C1)O)N(c2ccccc2)c3ccccc3 2230a_100000211013_200015198546 [0,2,0,0,0,0|1,0,1]=4 2920 B25R3.2580977 O=C(CN1CCCC(C1)O)N(c2ccccc2)c3ccccc3 269982a_100000211013_200015198546 [0,2,0,0,0,0|1,0,1]=4 2921 B25R3.32677638 O=C(CC1(CCCCC1)O)C(c2ccccc2)c3ccccc3 1458a_100000755886_100011216954 [0,2,0,0,0,0|1,0,1]=4 2922 B25R3.2785 COc1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 2230a_100015384205_100000211423 [0,2,0,0,0,0|2,0,0]=4 2923 B25R3.2785 COc1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 270004a_100000210473_100000170244 [0,2,0,0,0,0|2,0,0]=4 2924 B25R3.2785 COc1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 34a_100015384205_100000211423 [0,2,0,0,0,0|2,0,0]=4 2925 B25R3.2785 OCc1ccc(cc1)C(NCC2CCCCC2)c3ccccc3 270004a_100000210473_200010886186 [0,2,0,0,0,0|2,0,0]=4 2926 B25R3.743820 Cc1ccc(cc1)C(NCC2CCCC(C2)O)c3ccccc3 270004a_100011254705_100000210966 [0,2,0,0,0,0|2,0,0]=4 2927 B25R3.743820 OC1CCCC(C1)CNC(c2ccccc2)c3ccc(cc3)Br 270004a_100011254705_100000718703 [0,2,0,0,0,0|2,0,0]=4 2928 B25R3.743820 OC1CCCC(C1)CNC(c2ccccc2)c3ccc(cc3)Cl 2230a_100011254705_100000211669 [0,2,0,0,0,0|2,0,0]=4 2929 B25R3.743820 OC1CCCC(C1)CNC(c2ccccc2)c3ccc(cc3)Cl 270004a_100011254705_100000211064 [0,2,0,0,0,0|2,0,0]=4 2930 B25R3.743820 OC1CCCC(C1)CNC(c2ccccc2)c3ccc(cc3)F 270004a_100011254705_100000210425 [0,2,0,0,0,0|2,0,0]=4 2931 B25R3.295449717 Cc1ccc(cc1)C(NCC2(CCCCC2)O)c3ccccc3 270004a_100000748649_100000210966 [0,2,0,0,0,0|2,0,0]=4 2932 B25R3.295449717 OC1(CCCCC1)CNC(c2ccccc2)c3ccc(cc3)Br 270004a_100000748649_100000718703 [0,2,0,0,0,0|2,0,0]=4 2933 B25R3.295449717 OC1(CCCCC1)CNC(c2ccccc2)c3ccc(cc3)Cl 2230a_100000748649_100000211669 [0,2,0,0,0,0|2,0,0]=4 2934 B25R3.295449717 OC1(CCCCC1)CNC(c2ccccc2)c3ccc(cc3)Cl 270004a_100000748649_100000211064 [0,2,0,0,0,0|2,0,0]=4 2935 B25R3.295449717 OC1(CCCCC1)CNC(c2ccccc2)c3ccc(cc3)F 270004a_100000748649_100000210425 [0,2,0,0,0,0|2,0,0]=4 2936 B25R3.31048 C#CC1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000722563 [0,2,0,0,0,0|2,0,0]=4 2937 B25R3.31048 C#CC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100016991398_100000050448 [0,2,0,0,0,0|0,0,2]=4 2938 B25R3.31048 C#CC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100016991398_100009813428 [0,2,0,0,0,0|0,0,0]=2 2939 B25R3.31048 C#CC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100016991398_100009813428 [0,2,0,0,0,0|0,0,0]=2 2940 B25R3.31048 C#CC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100016991398_100009813428 [0,2,0,0,0,0|0,0,0]=2 2941 B25R3.31048 C#CC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100016991398_100010140906 [0,2,0,0,0,0|1,0,0]=3 2942 B25R3.31048 C#CC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100016991398_100010140906 [0,2,0,0,0,0|1,0,0]=3 2943 B25R3.31048 CCC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000754474_100010140906 [0,2,0,0,0,0|1,0,0]=3 2944 B25R3.31048 CCC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000754474_100010140906 [0,2,0,0,0,0|1,0,0]=3 2945 B25R3.31048 CCN1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000210033_100009813428 [0,2,0,0,0,0|1,0,0]=3 2946 B25R3.31048 CCN1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000210033_100009813428 [0,2,0,0,0,0|1,0,0]=3 2947 B25R3.31048 CCN1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000210033_100010140906 [0,2,0,0,0,0|2,0,0]=4 2948 B25R3.31048 CCN1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000210033_100010140906 [0,2,0,0,0,0|2,0,0]=4 2949 B25R3.31048 CNC1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_200016988011 [0,2,0,0,0,0|2,0,0]=4 2950 B25R3.31048 COC1CCC(CC1)CNC(c2ccccc2)c3ccccc3 2230a_100000162943_100013032858 [0,2,0,0,0,0|2,0,0]=4 2951 B25R3.31048 COC1CCC(CC1)CNC(c2ccccc2)c3ccccc3 34a_100000162943_100013032858 [0,2,0,0,0,0|2,0,0]=4 2952 B25R3.31048 COC1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000747084 [0,2,0,0,0,0|2,0,0]=4 2953 B25R3.31048 COC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000234800_100000050448 [0,2,0,0,0,0|0,0,2]=4 2954 B25R3.31048 COC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000234800_100009813428 [0,2,0,0,0,0|0,0,0]=2 2955 B25R3.31048 COC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000234800_100009813428 [0,2,0,0,0,0|0,0,0]=2 2956 B25R3.31048 COC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100000234800_100009813428 [0,2,0,0,0,0|0,0,0]=2 2957 B25R3.31048 COC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000234800_100010140906 [0,2,0,0,0,0|1,0,0]=3 2958 B25R3.31048 COC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000234800_100010140906 [0,2,0,0,0,0|1,0,0]=3 2959 B25R3.31048 CSC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100015202541_100000050448 [0,2,0,0,0,0|0,0,2]=4 2960 B25R3.31048 CSC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015202541_100010140906 [0,2,0,0,0,0|1,0,0]=3 2961 B25R3.31048 CSC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015202541_100010140906 [0,2,0,0,0,0|1,0,0]=3 2962 B25R3.31048 FCC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100015203933_100000050448 [0,2,0,0,0,0|0,0,2]=4 2963 B25R3.31048 FCC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100015203933_100009813428 [0,2,0,0,0,0|0,0,0]=2 2964 B25R3.31048 FCC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100015203933_100009813428 [0,2,0,0,0,0|0,0,0]=2 2965 B25R3.31048 FCC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100015203933_100009813428 [0,2,0,0,0,0|0,0,0]=2 2966 B25R3.31048 FCC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015203933_100010140906 [0,2,0,0,0,0|1,0,0]=3 2967 B25R3.31048 FCC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015203933_100010140906 [0,2,0,0,0,0|1,0,0]=3 2968 B25R3.31048 N#CC1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100009880307 [0,2,0,0,0,0|2,0,0]=4 2969 B25R3.31048 N#CC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000747632_100000050448 [0,2,0,0,0,0|0,0,2]=4 2970 B25R3.31048 N#CC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000747632_100009813428 [0,2,0,0,0,0|0,0,0]=2 2971 B25R3.31048 N#CC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000747632_100010140906 [0,2,0,0,0,0|1,0,0]=3 2972 B25R3.31048 OCC1CCC(CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000062911 [0,2,0,0,0,0|2,0,0]=4 2973 B25R3.31048 OCC1CCN(CC1)CC=C(c2ccccc2)c3ccccc3 270004a_100000738675_100000050448 [0,2,0,0,0,0|0,0,2]=4 2974 B25R3.31048 OCC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000738675_100009813428 [0,2,0,0,0,0|0,0,0]=2 2975 B25R3.31048 OCC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000738675_100009813428 [0,2,0,0,0,0|0,0,0]=2 2976 B25R3.31048 OCC1CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100000738675_100009813428 [0,2,0,0,0,0|0,0,0]=2 2977 B25R3.31048 OCC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000738675_100010140906 [0,2,0,0,0,0|1,0,0]=3 2978 B25R3.31048 OCC1CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000738675_100010140906 [0,2,0,0,0,0|1,0,0]=3 2979 B25R3.31048 OC[C@H]1CC[C@@H](CC1)CNC(c2ccccc2)c3ccccc3 2230a_100121570882_100000211591 [0,2,0,0,0,0|2,0,0]=4 2980 B25R3.31048 OC[C@H]1CC[C@@H](CC1)CNC(c2ccccc2)c3ccccc3 270004a_100121570882_100000210122 [0,2,0,0,0,0|2,0,0]=4 2981 B25R3.116384 CC1CCN(CC1O)CC=C(c2ccccc2)c3ccccc3 270004a_100000696640_100000050448 [0,2,0,0,0,0|0,0,2]=4 2982 B25R3.116384 CC1CCN(CC1O)CCC(c2ccccc2)c3ccccc3 2230a_100000696640_100009813428 [0,2,0,0,0,0|0,0,0]=2 2983 B25R3.116384 CC1CCN(CC1O)CCC(c2ccccc2)c3ccccc3 269982a_100000696640_100009813428 [0,2,0,0,0,0|0,0,0]=2 2984 B25R3.116384 CC1CCN(CC1O)CC[S+](c2ccccc2)c3ccccc3 2230a_100000696640_100010140906 [0,2,0,0,0,0|1,0,0]=3 2985 B25R3.116384 CC1CCN(CC1O)CC[S+](c2ccccc2)c3ccccc3 269982a_100000696640_100010140906 [0,2,0,0,0,0|1,0,0]=3 2986 B25R3.116384 CC1CN(CCC1O)CCC(c2ccccc2)c3ccccc3 2230a_100011998114_100009813428 [0,2,0,0,0,0|0,0,0]=2 2987 B25R3.116384 CC1CN(CCC1O)CCC(c2ccccc2)c3ccccc3 269982a_100011998114_100009813428 [0,2,0,0,0,0|0,0,0]=2 2988 B25R3.116384 CC1CN(CCC1O)CC[S+](c2ccccc2)c3ccccc3 2230a_100011998114_100010140906 [0,2,0,0,0,0|1,0,0]=3 2989 B25R3.116384 CC1CN(CCC1O)CC[S+](c2ccccc2)c3ccccc3 269982a_100011998114_100010140906 [0,2,0,0,0,0|1,0,0]=3 2990 B25R3.116384 CN1CCN(CC1=O)CCC(c2ccccc2)c3ccccc3 2230a_100000187256_100009813428 [0,2,0,0,0,0|1,0,1]=4 2991 B25R3.116384 CN1CCN(CC1=O)CCC(c2ccccc2)c3ccccc3 269982a_100000187256_100009813428 [0,2,0,0,0,0|1,0,1]=4 2992 B25R3.116384 C[C@H]1CN(CCN1C)CCC(c2ccccc2)c3ccccc3 2230a_100020603432_100009813428 [0,2,0,0,0,0|1,0,0]=3 2993 B25R3.116384 C[C@H]1CN(CCN1C)CCC(c2ccccc2)c3ccccc3 269982a_100020603432_100009813428 [0,2,0,0,0,0|1,0,0]=3 2994 B25R3.116384 C[C@H]1CN(CCN1C)CC[S+](c2ccccc2)c3ccccc3 2230a_100020603432_100010140906 [0,2,0,0,0,0|2,0,0]=4 2995 B25R3.116384 C[C@H]1CN(CCN1C)CC[S+](c2ccccc2)c3ccccc3 269982a_100020603432_100010140906 [0,2,0,0,0,0|2,0,0]=4 2996 B25R3.116384 O[C@@H]1CCN(C[C@@H]1F)CC=C(c2ccccc2)c3ccccc3 270004a_200016994291_100000050448 [0,2,0,0,0,0|0,0,2]=4 2997 B25R3.116384 O[C@@H]1CCN(C[C@@H]1F)CCC(c2ccccc2)c3ccccc3 2230a_200016994291_100009813428 [0,2,0,0,0,0|0,0,0]=2 2998 B25R3.116384 O[C@@H]1CCN(C[C@@H]1F)CCC(c2ccccc2)c3ccccc3 269982a_200016994291_100009813428 [0,2,0,0,0,0|0,0,0]=2 2999 B25R3.116384 O[C@@H]1CCN(C[C@@H]1F)CC[S+](c2ccccc2)c3ccccc3 2230a_200016994291_100010140906 [0,2,0,0,0,0|1,0,0]=3 3000 B25R3.116384 O[C@@H]1CCN(C[C@@H]1F)CC[S+](c2ccccc2)c3ccccc3 269982a_200016994291_100010140906 [0,2,0,0,0,0|1,0,0]=3 3001 B25R3.116384 O[C@@H]1CCN(C[C@@H]1O)CC=C(c2ccccc2)c3ccccc3 270004a_100000690696_100000050448 [0,2,0,0,0,0|0,0,2]=4 3002 B25R3.116384 O[C@@H]1CCN(C[C@@H]1O)CCC(c2ccccc2)c3ccccc3 2230a_100000690696_100009813428 [0,2,0,0,0,0|0,0,0]=2 3003 B25R3.116384 O[C@@H]1CCN(C[C@@H]1O)CCC(c2ccccc2)c3ccccc3 269982a_100000690696_100009813428 [0,2,0,0,0,0|0,0,0]=2 3004 B25R3.116384 O[C@@H]1CCN(C[C@@H]1O)CC[S+](c2ccccc2)c3ccccc3 2230a_100000690696_100010140906 [0,2,0,0,0,0|1,0,0]=3 3005 B25R3.116384 O[C@@H]1CCN(C[C@@H]1O)CC[S+](c2ccccc2)c3ccccc3 269982a_100000690696_100010140906 [0,2,0,0,0,0|1,0,0]=3 3006 B25R3.121401 CC(CNC1CCC(CC1)O)(c2ccccc2)c3ccccc3 270004a_100000706881_100000764474 [0,2,0,0,0,0|2,0,0]=4 3007 B25R3.17226985 CC1(CCC(CC1)NCC(c2ccccc2)c3ccccc3)O 270004a_100000739227_100012184276 [0,2,0,0,0,0|2,0,0]=4 3008 B25R3.17226985 CC1(CCN(CC1)CC=C(c2ccccc2)c3ccccc3)O 270004a_100000690209_100000050448 [0,2,0,0,0,0|0,0,2]=4 3009 B25R3.17226985 CC1(CCN(CC1)CCC(c2ccccc2)c3ccccc3)O 2230a_100000690209_100009813428 [0,2,0,0,0,0|0,0,0]=2 3010 B25R3.17226985 CC1(CCN(CC1)CCC(c2ccccc2)c3ccccc3)O 269982a_100000690209_100009813428 [0,2,0,0,0,0|0,0,0]=2 3011 B25R3.17226985 CC1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)C 2230a_100000750138_100010140906 [0,2,0,0,0,0|1,0,0]=3 3012 B25R3.17226985 CC1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)C 269982a_100000750138_100010140906 [0,2,0,0,0,0|1,0,0]=3 3013 B25R3.17226985 CC1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)O 2230a_100000690209_100010140906 [0,2,0,0,0,0|1,0,0]=3 3014 B25R3.17226985 CC1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)O 269982a_100000690209_100010140906 [0,2,0,0,0,0|1,0,0]=3 3015 B25R3.17226985 C[Si]1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)C 2230a_100025715224_100010140906 [0,2,0,0,0,0|1,1,0]=4 3016 B25R3.17226985 C[Si]1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)C 269982a_100025715224_100010140906 [0,2,0,0,0,0|1,1,0]=4 3017 B25R3.17226985 FC1(CCC(CC1)NCC(c2ccccc2)c3ccccc3)F 270004a_100000739227_100000052966 [0,2,0,0,0,0|2,0,0]=4 3018 B25R3.17226985 FC1(CCC(CC1)NCC(c2ccccc2)c3ccccc3)F 34a_100000739227_100009865109 [0,2,0,0,0,0|2,0,0]=4 3019 B25R3.17226985 FC1(CCN(CC1)CC=C(c2ccccc2)c3ccccc3)F 270004a_100000724815_100000050448 [0,2,0,0,0,0|0,0,2]=4 3020 B25R3.17226985 FC1(CCN(CC1)CCC(c2ccccc2)c3ccccc3)F 2230a_100000724815_100009813428 [0,2,0,0,0,0|0,0,0]=2 3021 B25R3.17226985 FC1(CCN(CC1)CCC(c2ccccc2)c3ccccc3)F 269982a_100000724815_100009813428 [0,2,0,0,0,0|0,0,0]=2 3022 B25R3.17226985 FC1(CCN(CC1)CCC(c2ccccc2)c3ccccc3)F 34a_100000724815_100009813428 [0,2,0,0,0,0|0,0,0]=2 3023 B25R3.17226985 FC1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)F 2230a_100000724815_100010140906 [0,2,0,0,0,0|1,0,0]=3 3024 B25R3.17226985 FC1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)F 269982a_100000724815_100010140906 [0,2,0,0,0,0|1,0,0]=3 3025 B25R3.17226985 O=S1(=O)CCN(CC1)CCC(c2ccccc2)c3ccccc3 2230a_100000750940_100009813428 [0,2,0,0,0,0|1,0,0]=3 3026 B25R3.17226985 O=S1(=O)CCN(CC1)CCC(c2ccccc2)c3ccccc3 269982a_100000750940_100009813428 [0,2,0,0,0,0|1,0,0]=3 3027 B25R3.17226985 O=S1(=O)CCN(CC1)CCC(c2ccccc2)c3ccccc3 34a_100000750940_100009813428 [0,2,0,0,0,0|1,0,0]=3 3028 B25R3.17226985 O=S1(=O)CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000750940_100010140906 [0,2,0,0,0,0|2,0,0]=4 3029 B25R3.17226985 O=S1(=O)CCN(CC1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000750940_100010140906 [0,2,0,0,0,0|2,0,0]=4 3030 B25R3.17226985 OC1(CCN(CC1)CC=C(c2ccccc2)c3ccccc3)O 270004a_100016987284_100000050448 [0,2,0,0,0,0|0,0,2]=4 3031 B25R3.17226985 OC1(CCN(CC1)CCC(c2ccccc2)c3ccccc3)O 269982a_100016987284_100009813428 [0,2,0,0,0,0|0,0,0]=2 3032 B25R3.17226985 OC1(CCN(CC1)CC[S+](c2ccccc2)c3ccccc3)O 269982a_100016987284_100010140906 [0,2,0,0,0,0|1,0,0]=3 3033 B25R3.1604115 C#CC1CCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100015191679_100000050448 [0,2,0,0,0,0|0,0,2]=4 3034 B25R3.1604115 C#CC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100015191679_100009813428 [0,2,0,0,0,0|0,0,0]=2 3035 B25R3.1604115 C#CC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100015191679_100009813428 [0,2,0,0,0,0|0,0,0]=2 3036 B25R3.1604115 C#CC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100015191679_100009813428 [0,2,0,0,0,0|0,0,0]=2 3037 B25R3.1604115 C#CC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015191679_100010140906 [0,2,0,0,0,0|1,0,0]=3 3038 B25R3.1604115 C#CC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015191679_100010140906 [0,2,0,0,0,0|1,0,0]=3 3039 B25R3.1604115 CCC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 2230a_100000736320_100009813428 [0,2,0,0,0,0|1,0,0]=3 3040 B25R3.1604115 CCC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 269982a_100000736320_100009813428 [0,2,0,0,0,0|1,0,0]=3 3041 B25R3.1604115 CCC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 34a_100000736320_100009813428 [0,2,0,0,0,0|1,0,0]=3 3042 B25R3.1604115 CCC1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000736320_100010140906 [0,2,0,0,0,0|2,0,0]=4 3043 B25R3.1604115 CCC1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000736320_100010140906 [0,2,0,0,0,0|2,0,0]=4 3044 B25R3.1604115 COC1CCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100000695604_100000050448 [0,2,0,0,0,0|0,0,2]=4 3045 B25R3.1604115 COC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100000695604_100009813428 [0,2,0,0,0,0|0,0,0]=2 3046 B25R3.1604115 COC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100000695604_100009813428 [0,2,0,0,0,0|0,0,0]=2 3047 B25R3.1604115 COC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100000695604_100009813428 [0,2,0,0,0,0|0,0,0]=2 3048 B25R3.1604115 COC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000695604_100010140906 [0,2,0,0,0,0|1,0,0]=3 3049 B25R3.1604115 COC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000695604_100010140906 [0,2,0,0,0,0|1,0,0]=3 3050 B25R3.1604115 FCC1CCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100016992999_100000050448 [0,2,0,0,0,0|0,0,2]=4 3051 B25R3.1604115 FCC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100016992999_100009813428 [0,2,0,0,0,0|0,0,0]=2 3052 B25R3.1604115 FCC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100016992999_100009813428 [0,2,0,0,0,0|0,0,0]=2 3053 B25R3.1604115 FCC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100016992999_100009813428 [0,2,0,0,0,0|0,0,0]=2 3054 B25R3.1604115 FCC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100016992999_100010140906 [0,2,0,0,0,0|1,0,0]=3 3055 B25R3.1604115 FCC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100016992999_100010140906 [0,2,0,0,0,0|1,0,0]=3 3056 B25R3.1604115 N#CC1CCCC(C1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_100000747296 [0,2,0,0,0,0|2,0,0]=4 3057 B25R3.1604115 N#CC1CCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100016989302_100000050448 [0,2,0,0,0,0|0,0,2]=4 3058 B25R3.1604115 N#CC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100016989302_100009813428 [0,2,0,0,0,0|0,0,0]=2 3059 B25R3.1604115 N#CC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_206835378768_100009813428 [0,2,0,0,0,0|0,0,0]=2 3060 B25R3.1604115 N#CC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100016989302_100010140906 [0,2,0,0,0,0|1,0,0]=3 3061 B25R3.1604115 N#CC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_206835378768_100010140906 [0,2,0,0,0,0|1,0,0]=3 3062 B25R3.1604115 N#CC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 2230a_100000752543_100009813428 [0,2,0,0,0,0|1,0,0]=3 3063 B25R3.1604115 N#CC1CN(CCO1)CCC(c2ccccc2)c3ccccc3 34a_100000752543_100009813428 [0,2,0,0,0,0|1,0,0]=3 3064 B25R3.1604115 N#CC1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000752543_100010140906 [0,2,0,0,0,0|2,0,0]=4 3065 B25R3.1604115 OCC1CCCN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100000211344_100000050448 [0,2,0,0,0,0|0,0,2]=4 3066 B25R3.1604115 OCC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100000211344_100009813428 [0,2,0,0,0,0|0,0,0]=2 3067 B25R3.1604115 OCC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100000211344_100009813428 [0,2,0,0,0,0|0,0,0]=2 3068 B25R3.1604115 OCC1CCCN(C1)CCC(c2ccccc2)c3ccccc3 34a_100000211344_100009813428 [0,2,0,0,0,0|0,0,0]=2 3069 B25R3.1604115 OCC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100000211344_100010140906 [0,2,0,0,0,0|1,0,0]=3 3070 B25R3.1604115 OCC1CCCN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000211344_100010140906 [0,2,0,0,0,0|1,0,0]=3 3071 B25R3.1604115 OC[C@@H]1CN(CCO1)CCC(c2ccccc2)c3ccccc3 2230a_100015189573_100009813428 [0,2,0,0,0,0|1,0,0]=3 3072 B25R3.1604115 OC[C@@H]1CN(CCO1)CCC(c2ccccc2)c3ccccc3 269982a_100015189573_100009813428 [0,2,0,0,0,0|1,0,0]=3 3073 B25R3.1604115 OC[C@@H]1CN(CCO1)CCC(c2ccccc2)c3ccccc3 34a_100015189573_100009813428 [0,2,0,0,0,0|1,0,0]=3 3074 B25R3.1604115 OC[C@@H]1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015189573_100010140906 [0,2,0,0,0,0|2,0,0]=4 3075 B25R3.1604115 OC[C@@H]1CN(CCO1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015189573_100010140906 [0,2,0,0,0,0|2,0,0]=4 3076 B25R3.2518667 CC1CC(CN(C1)CC[S+](c2ccccc2)c3ccccc3)C 2230a_100000210448_100010140906 [0,2,0,0,0,0|1,0,0]=3 3077 B25R3.2518667 CC1CC(CN(C1)CC[S+](c2ccccc2)c3ccccc3)C 269982a_100000210448_100010140906 [0,2,0,0,0,0|1,0,0]=3 3078 B25R3.2518667 CC1CN(CC(O1)C)CCC(c2ccccc2)c3ccccc3 2230a_100000210032_100009813428 [0,2,0,0,0,0|1,0,0]=3 3079 B25R3.2518667 CC1CN(CC(O1)C)CCC(c2ccccc2)c3ccccc3 269982a_100000210032_100009813428 [0,2,0,0,0,0|1,0,0]=3 3080 B25R3.2518667 CC1CN(CC(O1)C)CCC(c2ccccc2)c3ccccc3 34a_100000210032_100009813428 [0,2,0,0,0,0|1,0,0]=3 3081 B25R3.2518667 CC1CN(CC(O1)C)CC[S+](c2ccccc2)c3ccccc3 2230a_100000210032_100010140906 [0,2,0,0,0,0|2,0,0]=4 3082 B25R3.2518667 CC1CN(CC(O1)C)CC[S+](c2ccccc2)c3ccccc3 269982a_100000210032_100010140906 [0,2,0,0,0,0|2,0,0]=4 3083 B25R3.3709786 CC(CNC1CCCC(C1)O)(c2ccccc2)c3ccccc3 270004a_100000706881_100012613340 [0,2,0,0,0,0|2,0,0]=4 3084 B25R3.18218583 CC1(CCCN(C1)CC=C(c2ccccc2)c3ccccc3)O 270004a_100000695535_100000050448 [0,2,0,0,0,0|0,0,2]=4 3085 B25R3.18218583 CC1(CCCN(C1)CCC(c2ccccc2)c3ccccc3)O 2230a_100000695535_100009813428 [0,2,0,0,0,0|0,0,0]=2 3086 B25R3.18218583 CC1(CCCN(C1)CCC(c2ccccc2)c3ccccc3)O 269982a_100000695535_100009813428 [0,2,0,0,0,0|0,0,0]=2 3087 B25R3.18218583 CC1(CCCN(C1)CC[S+](c2ccccc2)c3ccccc3)C 2230a_100000716857_100010140906 [0,2,0,0,0,0|1,0,0]=3 3088 B25R3.18218583 CC1(CCCN(C1)CC[S+](c2ccccc2)c3ccccc3)C 269982a_100000716857_100010140906 [0,2,0,0,0,0|1,0,0]=3 3089 B25R3.18218583 CC1(CCCN(C1)CC[S+](c2ccccc2)c3ccccc3)O 2230a_100000695535_100010140906 [0,2,0,0,0,0|1,0,0]=3 3090 B25R3.18218583 CC1(CCCN(C1)CC[S+](c2ccccc2)c3ccccc3)O 269982a_100000695535_100010140906 [0,2,0,0,0,0|1,0,0]=3 3091 B25R3.18218583 CC1(CN(CCO1)CCC(c2ccccc2)c3ccccc3)C 2230a_100000738910_100009813428 [0,2,0,0,0,0|1,0,0]=3 3092 B25R3.18218583 CC1(CN(CCO1)CCC(c2ccccc2)c3ccccc3)C 269982a_100000738910_100009813428 [0,2,0,0,0,0|1,0,0]=3 3093 B25R3.18218583 CC1(CN(CCO1)CCC(c2ccccc2)c3ccccc3)C 34a_100000738910_100009813428 [0,2,0,0,0,0|1,0,0]=3 3094 B25R3.18218583 CC1(CN(CCO1)CC[S+](c2ccccc2)c3ccccc3)C 2230a_100000738910_100010140906 [0,2,0,0,0,0|2,0,0]=4 3095 B25R3.18218583 CC1(CN(CCO1)CC[S+](c2ccccc2)c3ccccc3)C 269982a_100000738910_100010140906 [0,2,0,0,0,0|2,0,0]=4 3096 B25R3.18218583 FC1(CCCN(C1)CC=C(c2ccccc2)c3ccccc3)F 270004a_100000732682_100000050448 [0,2,0,0,0,0|0,0,2]=4 3097 B25R3.18218583 FC1(CCCN(C1)CCC(c2ccccc2)c3ccccc3)F 2230a_100000732682_100009813428 [0,2,0,0,0,0|0,0,0]=2 3098 B25R3.18218583 FC1(CCCN(C1)CCC(c2ccccc2)c3ccccc3)F 269982a_100000732682_100009813428 [0,2,0,0,0,0|0,0,0]=2 3099 B25R3.18218583 FC1(CCCN(C1)CCC(c2ccccc2)c3ccccc3)F 34a_100000732682_100009813428 [0,2,0,0,0,0|0,0,0]=2 3100 B25R3.18218583 FC1(CCCN(C1)CC[S+](c2ccccc2)c3ccccc3)F 2230a_100000732682_100010140906 [0,2,0,0,0,0|1,0,0]=3 3101 B25R3.18218583 FC1(CCCN(C1)CC[S+](c2ccccc2)c3ccccc3)F 269982a_100000732682_100010140906 [0,2,0,0,0,0|1,0,0]=3 3102 B25R3.2488225 N#CC(CCN1CC=CCC1)(c2ccccc2)c3ccccc3 2230a_100000698166_100000489411 [0,2,0,0,0,0|0,0,2]=4 3103 B25R3.2488225 N#CC(CCN1CC=CCC1)(c2ccccc2)c3ccccc3 269982a_100000698166_100000489411 [0,2,0,0,0,0|0,0,2]=4 3104 B25R3.2488225 N#CC(CCN1CCCOC1)(c2ccccc2)c3ccccc3 2230a_100000131196_100000489411 [0,2,0,0,0,0|1,0,0]=3 3105 B25R3.2488225 N#CC(CCN1CCCOC1)(c2ccccc2)c3ccccc3 269982a_100000131196_100000489411 [0,2,0,0,0,0|1,0,0]=3 3106 B25R3.2488225 N#CC(CCN1CCOCC1)(c2ccccc2)c3ccccc3 2230a_100015191051_100000489411 [0,2,0,0,0,0|1,0,0]=3 3107 B25R3.2488225 N#CC(CCN1CCOCC1)(c2ccccc2)c3ccccc3 269982a_100015191051_100000489411 [0,2,0,0,0,0|1,0,0]=3 3108 B25R3.2488225 N#CC(CCN1CCSCC1)(c2ccccc2)c3ccccc3 2230a_100000737611_100000489411 [0,2,0,0,0,0|1,0,0]=3 3109 B25R3.2488225 N#CC(CCN1CCSCC1)(c2ccccc2)c3ccccc3 269982a_100000737611_100000489411 [0,2,0,0,0,0|1,0,0]=3 3110 B25R3.64240365 N#CC1(CCCCC1)CNC(c2ccccc2)c3ccccc3 34a_100000162943_100011219015 [0,2,0,0,0,0|2,0,0]=4 3111 B23R3.569 CCCN1CCC[C@@H]1C(c2ccccc2)c3ccccc3 2230a_100016987801_100000210303 [0,0,1,1,0,0|2,0,0]=4 3112 B23R3.569 CCCN1CCC[C@@H]1C(c2ccccc2)c3ccccc3 269982a_100016987801_100000210303 [0,0,1,1,0,0|2,0,0]=4 3113 B23R3.569 CCCN1CCC[C@@H]1C(c2ccccc2)c3ccccc3 34a_100016987801_100000210303 [0,0,1,1,0,0|2,0,0]=4 3114 B23R3.25260 CC1CC1COCCC(c2ccccc2)c3ccccc3 34a_100000744939_100009813428 [0,0,1,1,0,0|1,0,0]=3 3115 B23R3.25260 CC1CC1COCCC(c2ccccc2)c3ccccc3 7a_100000744939_100009813428 [0,0,1,1,0,0|1,0,0]=3 3116 B23R3.25260 CC1CC1COCC[S+](c2ccccc2)c3ccccc3 7a_100000744939_100010140906 [0,0,1,1,0,0|2,0,0]=4 3117 B23R3.44427 O=C1CCC1NCCC(c2ccccc2)c3ccccc3 34a_100000272388_100009892977 [0,0,1,1,0,0|1,0,1]=4 3118 B23R3.79965 CCC1CCCC1NC(c2ccccc2)c3ccccc3 269862a_100000162943_100000749056 [0,0,1,1,0,0|2,0,0]=4 3119 B23R3.79965 CCC1CCCC1NC(c2ccccc2)c3ccccc3 270004a_100000162943_100000749056 [0,0,1,1,0,0|2,0,0]=4 3120 B23R3.1974330 C(=C(c1ccccc1)c2ccccc2)CNCCC3CC3 270004a_100000764129_100000050448 [0,0,1,1,0,0|0,0,2]=4 3121 B23R3.1974330 c1ccc(cc1)C(CCNCCC2CC2)c3ccccc3 2230a_100000272388_100000694398 [0,0,1,1,0,0|0,0,0]=2 3122 B23R3.1974330 c1ccc(cc1)C(CCNCCC2CC2)c3ccccc3 34a_100000272388_100000694398 [0,0,1,1,0,0|0,0,0]=2 3123 B23R3.1974330 c1ccc(cc1)C(CCNCCC2CC2)c3ccccc3 34a_100000764129_100009813428 [0,0,1,1,0,0|0,0,0]=2 3124 B23R3.1974330 c1ccc(cc1)C(CCNCCC2CO2)c3ccccc3 2230a_100000272388_100000732470 [0,0,1,1,0,0|1,0,0]=3 3125 B23R3.1974330 c1ccc(cc1)C(CCNCCC2CO2)c3ccccc3 34a_100000272388_100000732470 [0,0,1,1,0,0|1,0,0]=3 3126 B23R3.1974330 c1ccc(cc1)C(CCOCCC2CO2)c3ccccc3 34a_100000032380_100000732470 [0,0,1,1,0,0|2,0,0]=4 3127 B23R3.1974330 c1ccc(cc1)C(CCOCCC2CO2)c3ccccc3 7a_100000032380_100000732470 [0,0,1,1,0,0|2,0,0]=4 3128 B23R3.1974330 c1ccc(cc1)C(CCOCC[C@@H]2CO2)c3ccccc3 34a_100009820653_100009813428 [0,0,1,1,0,0|2,0,0]=4 3129 B23R3.1974330 c1ccc(cc1)C(CCSCCC2CO2)c3ccccc3 62a_100000732470_100009813428 [0,0,1,1,0,0|2,0,0]=4 3130 B23R3.1974330 c1ccc(cc1)C(CCSCCC2CO2)c3ccccc3 62a_100009813428_100000732470 [0,0,1,1,0,0|2,0,0]=4 3131 B23R3.1974330 c1ccc(cc1)N(CCOCCC2CC2)c3ccccc3 34a_100010001939_100000694398 [0,0,1,1,0,0|2,0,0]=4 3132 B23R3.1974330 c1ccc(cc1)N(CCOCCC2CC2)c3ccccc3 7a_100010001939_100000764125 [0,0,1,1,0,0|2,0,0]=4 3133 B23R3.1974330 c1ccc(cc1)P(CCNCCC2CC2)c3ccccc3 2230a_107094377242_100000694398 [0,0,1,1,0,0|1,0,0]=3 3134 B23R3.1974330 c1ccc(cc1)P(CCNCCC2CC2)c3ccccc3 34a_107094377242_100000694398 [0,0,1,1,0,0|1,0,0]=3 3135 B23R3.1974330 c1ccc(cc1)P(CCNCCC2CO2)c3ccccc3 2230a_107094377242_100000732470 [0,0,1,1,0,0|2,0,0]=4 3136 B23R3.1974330 c1ccc(cc1)P(CCNCCC2CO2)c3ccccc3 34a_107094377242_100000732470 [0,0,1,1,0,0|2,0,0]=4 3137 B23R3.1974330 c1ccc(cc1)[S+](CCOCCC2CC2)c3ccccc3 7a_100000754188_100010140906 [0,0,1,1,0,0|2,0,0]=4 3138 B23R3.3868845 C(=C(c1ccccc1)c2ccccc2)CNC3CCCC3 270004a_100000211070_100000050448 [0,0,1,1,0,0|0,0,2]=4 3139 B23R3.3868845 C(=NNC1CCCC1)C(c2ccccc2)c3ccccc3 4a_100000737850_100000183636 [0,0,1,1,0,0|1,0,1]=4 3140 B23R3.3868845 C1=CCC(C1)NCCC(c2ccccc2)c3ccccc3 2230a_100015188752_100009813428 [0,0,1,1,0,0|0,0,2]=4 3141 B23R3.3868845 c1ccc(cc1)C(CCNC2CCCC2)c3ccccc3 2230a_100000211070_100009813428 [0,0,1,1,0,0|0,0,0]=2 3142 B23R3.3868845 c1ccc(cc1)C(CCNC2CCCC2)c3ccccc3 2230a_100000272388_100000179811 [0,0,1,1,0,0|0,0,0]=2 3143 B23R3.3868845 c1ccc(cc1)C(CCNC2CCCC2)c3ccccc3 270004a_100000272388_100000210133 [0,0,1,1,0,0|0,0,0]=2 3144 B23R3.3868845 c1ccc(cc1)C(CCNC2CCCC2)c3ccccc3 34a_100000211070_100009813428 [0,0,1,1,0,0|0,0,0]=2 3145 B23R3.3868845 c1ccc(cc1)C(CCNC2CCCC2)c3ccccc3 34a_100000272388_100000179811 [0,0,1,1,0,0|0,0,0]=2 3146 B23R3.3868845 c1ccc(cc1)C(CCNC2CCOC2)c3ccccc3 2230a_100000272388_100000731011 [0,0,1,1,0,0|1,0,0]=3 3147 B23R3.3868845 c1ccc(cc1)C(CCNC2CCOC2)c3ccccc3 270004a_100000272388_100000752484 [0,0,1,1,0,0|1,0,0]=3 3148 B23R3.3868845 c1ccc(cc1)C(CCNC2CCOC2)c3ccccc3 34a_100000272388_100000690089 [0,0,1,1,0,0|1,0,0]=3 3149 B23R3.3868845 c1ccc(cc1)C(CCNC2CCSC2)c3ccccc3 270004a_100000272388_100000212027 [0,0,1,1,0,0|1,0,0]=3 3150 B23R3.3868845 c1ccc(cc1)C(CCN[C@@H]2CCOC2)c3ccccc3 2230a_200015188469_100009813428 [0,0,1,1,0,0|1,0,0]=3 3151 B23R3.3868845 c1ccc(cc1)C(CCN[C@H]2CCOC2)c3ccccc3 2230a_100015188467_100009813428 [0,0,1,1,0,0|1,0,0]=3 3152 B23R3.3868845 c1ccc(cc1)C(CCN[C@H]2CCOC2)c3ccccc3 34a_100015188467_100009813428 [0,0,1,1,0,0|1,0,0]=3 3153 B23R3.3868845 c1ccc(cc1)C(CCOC2CCCO2)c3ccccc3 34a_100000085407_100009813428 [0,0,1,1,0,0|2,0,0]=4 3154 B23R3.3868845 c1ccc(cc1)C(CCOC2CCOC2)c3ccccc3 34a_100000032380_100000690089 [0,0,1,1,0,0|2,0,0]=4 3155 B23R3.3868845 c1ccc(cc1)C(CCOC2CCOC2)c3ccccc3 7a_100000032380_100000731011 [0,0,1,1,0,0|2,0,0]=4 3156 B23R3.3868845 c1ccc(cc1)C(CCOC2CCSC2)c3ccccc3 7a_100011232664_100009813428 [0,0,1,1,0,0|2,0,0]=4 3157 B23R3.3868845 c1ccc(cc1)C(CCO[C@H]2CCOC2)c3ccccc3 34a_100000717292_100009813428 [0,0,1,1,0,0|2,0,0]=4 3158 B23R3.3868845 c1ccc(cc1)C(CCSC2CCOC2)c3ccccc3 62a_100009813428_100000690089 [0,0,1,1,0,0|2,0,0]=4 3159 B23R3.3868845 c1ccc(cc1)C(CNCC2CCCC2)c3ccccc3 2230a_100000739227_100000740388 [0,0,1,1,0,0|2,0,0]=4 3160 B23R3.3868845 c1ccc(cc1)C(CNCC2CCCC2)c3ccccc3 269862a_100000739227_100000746403 [0,0,1,1,0,0|2,0,0]=4 3161 B23R3.3868845 c1ccc(cc1)C(CNCC2CCCC2)c3ccccc3 34a_100000739227_100000740388 [0,0,1,1,0,0|2,0,0]=4 3162 B23R3.3868845 c1ccc(cc1)C(NCCC2CCCC2)c3ccccc3 2230a_100000162943_100000760354 [0,0,1,1,0,0|2,0,0]=4 3163 B23R3.3868845 c1ccc(cc1)C(NCCC2CCCC2)c3ccccc3 2230a_100000739158_100000211591 [0,0,1,1,0,0|2,0,0]=4 3164 B23R3.3868845 c1ccc(cc1)C(NCCC2CCCC2)c3ccccc3 270004a_100000739158_100000210122 [0,0,1,1,0,0|2,0,0]=4 3165 B23R3.3868845 c1ccc(cc1)C(NCCC2CCCC2)c3ccccc3 34a_100000162943_100000760354 [0,0,1,1,0,0|2,0,0]=4 3166 B23R3.3868845 c1ccc(cc1)N(CCOC2CCCC2)c3ccccc3 34a_100010001939_100000179811 [0,0,1,1,0,0|2,0,0]=4 3167 B23R3.3868845 c1ccc(cc1)N(CCOC2CCCC2)c3ccccc3 7a_100010001939_100000179811 [0,0,1,1,0,0|2,0,0]=4 3168 B23R3.3868845 c1ccc(cc1)P(CCNC2CCCC2)c3ccccc3 2230a_107094377242_100000179811 [0,0,1,1,0,0|1,0,0]=3 3169 B23R3.3868845 c1ccc(cc1)P(CCNC2CCCC2)c3ccccc3 270004a_107094377242_100000210133 [0,0,1,1,0,0|1,0,0]=3 3170 B23R3.3868845 c1ccc(cc1)P(CCNC2CCCC2)c3ccccc3 34a_107094377242_100000179811 [0,0,1,1,0,0|1,0,0]=3 3171 B23R3.3868845 c1ccc(cc1)P(CCNC2CCOC2)c3ccccc3 2230a_107094377242_100000731011 [0,0,1,1,0,0|2,0,0]=4 3172 B23R3.3868845 c1ccc(cc1)P(CCNC2CCOC2)c3ccccc3 270004a_107094377242_100000752484 [0,0,1,1,0,0|2,0,0]=4 3173 B23R3.3868845 c1ccc(cc1)P(CCNC2CCOC2)c3ccccc3 34a_107094377242_100000690089 [0,0,1,1,0,0|2,0,0]=4 3174 B23R3.3868845 c1ccc(cc1)P(CCNC2CCSC2)c3ccccc3 270004a_107094377242_100000212027 [0,0,1,1,0,0|2,0,0]=4 3175 B23R3.3868845 c1ccc(cc1)[S+](CCNC2CCCC2)c3ccccc3 2230a_100000211070_100010140906 [0,0,1,1,0,0|1,0,0]=3 3176 B23R3.3868845 c1ccc(cc1)[S+](CCN[C@@H]2CCOC2)c3ccccc3 2230a_200015188469_100010140906 [0,0,1,1,0,0|2,0,0]=4 3177 B23R3.3868845 c1ccc(cc1)[S+](CCN[C@H]2CCOC2)c3ccccc3 2230a_100015188467_100010140906 [0,0,1,1,0,0|2,0,0]=4 3178 B23R3.3868845 c1ccc(cc1)[S+](CCOC2CCCC2)c3ccccc3 7a_100000210269_100010140906 [0,0,1,1,0,0|2,0,0]=4 3179 B23R3.3868848 C(=C(c1ccccc1)c2ccccc2)CNCC3CCC3 270004a_100000738700_100000050448 [0,0,1,1,0,0|0,0,2]=4 3180 B23R3.3868848 C(=NNCC1CCC1)C(c2ccccc2)c3ccccc3 4a_200020586977_100000183636 [0,0,1,1,0,0|1,0,1]=4 3181 B23R3.3868848 c1ccc(cc1)C(CCNCC2CCC2)c3ccccc3 2230a_100000272388_100000763275 [0,0,1,1,0,0|0,0,0]=2 3182 B23R3.3868848 c1ccc(cc1)C(CCNCC2CCC2)c3ccccc3 2230a_100000738700_100009813428 [0,0,1,1,0,0|0,0,0]=2 3183 B23R3.3868848 c1ccc(cc1)C(CCNCC2CCC2)c3ccccc3 269862a_100000272388_100000753134 [0,0,1,1,0,0|0,0,0]=2 3184 B23R3.3868848 c1ccc(cc1)C(CCNCC2CCC2)c3ccccc3 34a_100000272388_100000763275 [0,0,1,1,0,0|0,0,0]=2 3185 B23R3.3868848 c1ccc(cc1)C(CCNCC2CCC2)c3ccccc3 34a_100000738700_100009813428 [0,0,1,1,0,0|0,0,0]=2 3186 B23R3.3868848 c1ccc(cc1)C(CCNCC2CCO2)c3ccccc3 2230a_100000272388_100000103362 [0,0,1,1,0,0|1,0,0]=3 3187 B23R3.3868848 c1ccc(cc1)C(CCNCC2CCO2)c3ccccc3 34a_100000272388_100000103362 [0,0,1,1,0,0|1,0,0]=3 3188 B23R3.3868848 c1ccc(cc1)C(CCNCC2COC2)c3ccccc3 2230a_100000272388_100010264016 [0,0,1,1,0,0|1,0,0]=3 3189 B23R3.3868848 c1ccc(cc1)C(CCNCC2COC2)c3ccccc3 2230a_100015281925_100009813428 [0,0,1,1,0,0|1,0,0]=3 3190 B23R3.3868848 c1ccc(cc1)C(CCNCC2COC2)c3ccccc3 34a_100000272388_100010264016 [0,0,1,1,0,0|1,0,0]=3 3191 B23R3.3868848 c1ccc(cc1)C(CCNCC2COC2)c3ccccc3 34a_100015281925_100009813428 [0,0,1,1,0,0|1,0,0]=3 3192 B23R3.3868848 c1ccc(cc1)C(CCNC[C@@H]2CCO2)c3ccccc3 2230a_100020831831_100009813428 [0,0,1,1,0,0|1,0,0]=3 3193 B23R3.3868848 c1ccc(cc1)C(CCNC[C@@H]2CCO2)c3ccccc3 34a_100020831831_100009813428 [0,0,1,1,0,0|1,0,0]=3 3194 B23R3.3868848 c1ccc(cc1)C(CCOCC2CCO2)c3ccccc3 34a_100000032380_100000103362 [0,0,1,1,0,0|2,0,0]=4 3195 B23R3.3868848 c1ccc(cc1)C(CCOCC2CCO2)c3ccccc3 34a_100000039022_100009813428 [0,0,1,1,0,0|2,0,0]=4 3196 B23R3.3868848 c1ccc(cc1)C(CCOCC2CCO2)c3ccccc3 7a_100000032380_100000103362 [0,0,1,1,0,0|2,0,0]=4 3197 B23R3.3868848 c1ccc(cc1)C(CCOCC2CNC2)c3ccccc3 34a_100016987283_100009813428 [0,0,1,1,0,0|2,0,0]=4 3198 B23R3.3868848 c1ccc(cc1)C(CCOCC2COC2)c3ccccc3 34a_100000032380_100010264016 [0,0,1,1,0,0|2,0,0]=4 3199 B23R3.3868848 c1ccc(cc1)C(CCOCC2COC2)c3ccccc3 34a_100000060846_100009813428 [0,0,1,1,0,0|2,0,0]=4 3200 B23R3.3868848 c1ccc(cc1)C(CCOCC2COC2)c3ccccc3 7a_100000032380_100010264016 [0,0,1,1,0,0|2,0,0]=4 3201 B23R3.3868848 c1ccc(cc1)C(CCSCC2CCO2)c3ccccc3 62a_100000103362_100009813428 [0,0,1,1,0,0|2,0,0]=4 3202 B23R3.3868848 c1ccc(cc1)C(CCSCC2CCO2)c3ccccc3 62a_100009813428_100000103362 [0,0,1,1,0,0|2,0,0]=4 3203 B23R3.3868848 c1ccc(cc1)C(CCSCC2COC2)c3ccccc3 62a_100009813428_100010264016 [0,0,1,1,0,0|2,0,0]=4 3204 B23R3.3868848 c1ccc(cc1)C(CCSCC2COC2)c3ccccc3 62a_100010264016_100009813428 [0,0,1,1,0,0|2,0,0]=4 3205 B23R3.3868848 c1ccc(cc1)N(CCOCC2CCC2)c3ccccc3 34a_100010001939_100000763275 [0,0,1,1,0,0|2,0,0]=4 3206 B23R3.3868848 c1ccc(cc1)N(CCOCC2CCC2)c3ccccc3 7a_100010001939_100000763275 [0,0,1,1,0,0|2,0,0]=4 3207 B23R3.3868848 c1ccc(cc1)P(CCNCC2CCC2)c3ccccc3 2230a_107094377242_100000763275 [0,0,1,1,0,0|1,0,0]=3 3208 B23R3.3868848 c1ccc(cc1)P(CCNCC2CCC2)c3ccccc3 269862a_107094377242_100000753134 [0,0,1,1,0,0|1,0,0]=3 3209 B23R3.3868848 c1ccc(cc1)P(CCNCC2CCC2)c3ccccc3 34a_107094377242_100000763275 [0,0,1,1,0,0|1,0,0]=3 3210 B23R3.3868848 c1ccc(cc1)P(CCNCC2CCO2)c3ccccc3 2230a_107094377242_100000103362 [0,0,1,1,0,0|2,0,0]=4 3211 B23R3.3868848 c1ccc(cc1)P(CCNCC2CCO2)c3ccccc3 34a_107094377242_100000103362 [0,0,1,1,0,0|2,0,0]=4 3212 B23R3.3868848 c1ccc(cc1)P(CCNCC2COC2)c3ccccc3 2230a_107094377242_100010264016 [0,0,1,1,0,0|2,0,0]=4 3213 B23R3.3868848 c1ccc(cc1)P(CCNCC2COC2)c3ccccc3 34a_107094377242_100010264016 [0,0,1,1,0,0|2,0,0]=4 3214 B23R3.3868848 c1ccc(cc1)[S+](CCNCC2CCC2)c3ccccc3 2230a_100000738700_100010140906 [0,0,1,1,0,0|1,0,0]=3 3215 B23R3.3868848 c1ccc(cc1)[S+](CCNCC2COC2)c3ccccc3 2230a_100015281925_100010140906 [0,0,1,1,0,0|2,0,0]=4 3216 B23R3.3868848 c1ccc(cc1)[S+](CCNC[C@@H]2CCO2)c3ccccc3 2230a_100020831831_100010140906 [0,0,1,1,0,0|2,0,0]=4 3217 B23R3.19744219 CCCCCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210314 [0,0,1,1,0,0|2,0,0]=4 3218 B23R3.19744219 CCCCCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210314 [0,0,1,1,0,0|2,0,0]=4 3219 B23R3.96019 CC(NCC(c1ccccc1)c2ccccc2)C3CCC3 269862a_100000739227_100000760154 [0,0,1,1,0,0|2,0,0]=4 3220 B23R3.96019 CN(CC=C(c1ccccc1)c2ccccc2)C3CCC3 270004a_100000758072_100000050448 [0,0,1,1,0,0|0,0,2]=4 3221 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3CCC3 2230a_100000758072_100009813428 [0,0,1,1,0,0|0,0,0]=2 3222 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3CCC3 269982a_100000758072_100009813428 [0,0,1,1,0,0|0,0,0]=2 3223 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3CCC3 269982a_100025726140_100000749161 [0,0,1,1,0,0|0,0,0]=2 3224 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3CCC3 270004a_100025726140_100000241760 [0,0,1,1,0,0|0,0,0]=2 3225 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3CCC3 34a_100000758072_100009813428 [0,0,1,1,0,0|0,0,0]=2 3226 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3CCC3 34a_100025726140_100000749161 [0,0,1,1,0,0|0,0,0]=2 3227 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3COC3 2230a_100102693430_100009813428 [0,0,1,1,0,0|1,0,0]=3 3228 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3COC3 269982a_100025726140_100000687716 [0,0,1,1,0,0|1,0,0]=3 3229 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3COC3 269982a_100102693430_100009813428 [0,0,1,1,0,0|1,0,0]=3 3230 B23R3.96019 CN(CCC(c1ccccc1)c2ccccc2)C3COC3 34a_100025726140_100009818527 [0,0,1,1,0,0|1,0,0]=3 3231 B23R3.96019 CN(CC[S+](c1ccccc1)c2ccccc2)C3CCC3 2230a_100000758072_100010140906 [0,0,1,1,0,0|1,0,0]=3 3232 B23R3.96019 CN(CC[S+](c1ccccc1)c2ccccc2)C3CCC3 269982a_100000758072_100010140906 [0,0,1,1,0,0|1,0,0]=3 3233 B23R3.96019 CN(CC[S+](c1ccccc1)c2ccccc2)C3COC3 2230a_100102693430_100010140906 [0,0,1,1,0,0|2,0,0]=4 3234 B23R3.96019 CN(CC[S+](c1ccccc1)c2ccccc2)C3COC3 269982a_100102693430_100010140906 [0,0,1,1,0,0|2,0,0]=4 3235 B23R3.96019 O=C(CCC(c1ccccc1)c2ccccc2)C3CCC3 1458a_100000209988_100009813428 [0,0,1,1,0,0|2,0,0]=4 3236 B23R3.96020 CC(CC1CC1)NCC(c2ccccc2)c3ccccc3 270004a_100000739227_200000686933 [0,0,1,1,0,0|2,0,0]=4 3237 B23R3.96020 CN(CC=C(c1ccccc1)c2ccccc2)CC3CC3 270004a_100000741881_100000050448 [0,0,1,1,0,0|0,0,2]=4 3238 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CC3 2230a_100000741881_100009813428 [0,0,1,1,0,0|0,0,0]=2 3239 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CC3 2230a_100025726140_100000742324 [0,0,1,1,0,0|0,0,0]=2 3240 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CC3 269982a_100000741881_100009813428 [0,0,1,1,0,0|0,0,0]=2 3241 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CC3 269982a_100025726140_100000756562 [0,0,1,1,0,0|0,0,0]=2 3242 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CC3 34a_100025726140_100000742324 [0,0,1,1,0,0|0,0,0]=2 3243 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CO3 2230a_100025726140_100011216344 [0,0,1,1,0,0|1,0,0]=3 3244 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CO3 269982a_100025726140_102125554688 [0,0,1,1,0,0|1,0,0]=3 3245 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CO3 34a_100025726140_102125554688 [0,0,1,1,0,0|1,0,0]=3 3246 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)CC3CS3 269982a_100025726140_100000031435 [0,0,1,1,0,0|1,0,0]=3 3247 B23R3.96020 CN(CCC(c1ccccc1)c2ccccc2)C[C@@H]3CO3 269982a_100025726140_100000745022 [0,0,1,1,0,0|1,0,0]=3 3248 B23R3.96020 CN(CC[S+](c1ccccc1)c2ccccc2)CC3CC3 2230a_100000741881_100010140906 [0,0,1,1,0,0|1,0,0]=3 3249 B23R3.96020 CN(CC[S+](c1ccccc1)c2ccccc2)CC3CC3 269982a_100000741881_100010140906 [0,0,1,1,0,0|1,0,0]=3 3250 B23R3.96020 O=C(CCC(c1ccccc1)c2ccccc2)CC3CC3 1458a_100000738066_100009813428 [0,0,1,1,0,0|2,0,0]=4 3251 B23R3.768819 CC1CC1C(=O)CCC(c2ccccc2)c3ccccc3 1458a_100000211227_100009813428 [0,0,1,1,0,0|2,0,0]=4 3252 B23R3.1735855 CCC1CN(C1)CC=C(c2ccccc2)c3ccccc3 270004a_100015205115_100000050448 [0,0,1,1,0,0|0,0,2]=4 3253 B23R3.1735855 CCC1CN(C1)CCC(c2ccccc2)c3ccccc3 2230a_100015205115_100009813428 [0,0,1,1,0,0|0,0,0]=2 3254 B23R3.1735855 CCC1CN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100015205115_100009813428 [0,0,1,1,0,0|0,0,0]=2 3255 B23R3.1735855 CCC1CN(C1)CC[S+](c2ccccc2)c3ccccc3 2230a_100015205115_100010140906 [0,0,1,1,0,0|1,0,0]=3 3256 B23R3.1735855 CCC1CN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100015205115_100010140906 [0,0,1,1,0,0|1,0,0]=3 3257 B23R3.1735855 COC1CN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100000755009_100009813428 [0,0,1,1,0,0|1,0,0]=3 3258 B23R3.1735855 COC1CN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100000755009_100010140906 [0,0,1,1,0,0|2,0,0]=4 3259 B23R3.1735855 CSC1CN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100016990038_100009813428 [0,0,1,1,0,0|1,0,0]=3 3260 B23R3.1735855 CSC1CN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100016990038_100010140906 [0,0,1,1,0,0|2,0,0]=4 3261 B23R3.1735855 FCC1CN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100010363649_100009813428 [0,0,1,1,0,0|1,0,0]=3 3262 B23R3.1735855 FCC1CN(C1)CCC(c2ccccc2)c3ccccc3 34a_100010363649_100009813428 [0,0,1,1,0,0|1,0,0]=3 3263 B23R3.1735855 FCC1CN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100010363649_100010140906 [0,0,1,1,0,0|2,0,0]=4 3264 B23R3.1735855 OCC1CN(C1)CCC(c2ccccc2)c3ccccc3 269982a_100016987283_100009813428 [0,0,1,1,0,0|1,0,0]=3 3265 B23R3.1735855 OCC1CN(C1)CCC(c2ccccc2)c3ccccc3 34a_100016987283_100009813428 [0,0,1,1,0,0|1,0,0]=3 3266 B23R3.1735855 OCC1CN(C1)CC[S+](c2ccccc2)c3ccccc3 269982a_100016987283_100010140906 [0,0,1,1,0,0|2,0,0]=4 3267 B23R3.32362876 CCCCC(C)NCC1c2ccccc2-c3c1cccc3 2230a_100016995487_200011215066 [0,0,1,1,0,0|2,0,0]=4 3268 B23R3.32362876 CCCCC(C)NCC1c2ccccc2-c3c1cccc3 270004a_100016995487_100000210087 [0,0,1,1,0,0|2,0,0]=4 3269 B23R3.32362876 CCCCC(C)NCC1c2ccccc2-c3c1cccc3 34a_100016995487_200011215066 [0,0,1,1,0,0|2,0,0]=4 3270 B23R3.15849 C#CCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_100000038162 [0,0,1,1,0,0|0,0,2]=4 3271 B23R3.15849 C#CCN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_100000184674 [0,0,1,1,0,0|0,0,2]=4 3272 B23R3.15849 C=CCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_100000210623 [0,0,1,1,0,0|0,0,2]=4 3273 B23R3.15849 C=CCN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_100000210623 [0,0,1,1,0,0|0,0,2]=4 3274 B23R3.15849 C=CCN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_100015514636 [0,0,1,1,0,0|0,0,2]=4 3275 B23R3.15849 CCCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_100000210303 [0,0,1,1,0,0|0,0,0]=2 3276 B23R3.15849 CCCN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_100000210303 [0,0,1,1,0,0|0,0,0]=2 3277 B23R3.15849 CCCN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_100000210303 [0,0,1,1,0,0|0,0,0]=2 3278 B23R3.15849 CCOC1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020646429_100000210202 [0,0,1,1,0,0|2,0,0]=4 3279 B23R3.15849 CCOC1CCC(CC1)(c2ccccc2)c3ccccc3 7a_100020646429_100000210202 [0,0,1,1,0,0|2,0,0]=4 3280 B23R3.15849 COCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_100000766300 [0,0,1,1,0,0|1,0,0]=3 3281 B23R3.15849 COCN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_100000766300 [0,0,1,1,0,0|1,0,0]=3 3282 B23R3.15849 CSCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_100011218213 [0,0,1,1,0,0|1,0,0]=3 3283 B23R3.15849 CSCN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_100011218213 [0,0,1,1,0,0|1,0,0]=3 3284 B23R3.15849 CSCN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_100011218213 [0,0,1,1,0,0|1,0,0]=3 3285 B23R3.15849 FCCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_100011217306 [0,0,1,1,0,0|1,0,0]=3 3286 B23R3.15849 FCCN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_100011217306 [0,0,1,1,0,0|1,0,0]=3 3287 B23R3.15849 FCCN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_100011217306 [0,0,1,1,0,0|1,0,0]=3 3288 B23R3.15849 N#CCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_100011215382 [0,0,1,1,0,0|1,0,1]=4 3289 B23R3.15849 N#CCN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_100011214920 [0,0,1,1,0,0|1,0,1]=4 3290 B23R3.15849 O=CCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_200015260668 [0,0,1,1,0,0|1,0,1]=4 3291 B23R3.15849 O=CCN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_200015260668 [0,0,1,1,0,0|1,0,1]=4 3292 B23R3.15849 O=CCN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_200009817547 [0,0,1,1,0,0|1,0,1]=4 3293 B23R3.15849 OCCN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_100000211926 [0,0,1,1,0,0|1,0,0]=3 3294 B23R3.15849 OCCN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_100000211926 [0,0,1,1,0,0|1,0,0]=3 3295 B23R3.15849 OCCN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_100000211926 [0,0,1,1,0,0|1,0,0]=3 3296 B23R3.749922 C[C@H]1[C@H](CN1CCC(c2ccccc2)c3ccccc3)O 2230a_206633788156_100009813428 [0,0,1,1,0,0|1,0,0]=3 3297 B23R3.749922 C[C@H]1[C@H](CN1CCC(c2ccccc2)c3ccccc3)O 269982a_206633788156_100009813428 [0,0,1,1,0,0|1,0,0]=3 3298 B23R3.749922 C[C@H]1[C@H](CN1CC[S+](c2ccccc2)c3ccccc3)O 2230a_206633788156_100010140906 [0,0,1,1,0,0|2,0,0]=4 3299 B23R3.749922 C[C@H]1[C@H](CN1CC[S+](c2ccccc2)c3ccccc3)O 269982a_206633788156_100010140906 [0,0,1,1,0,0|2,0,0]=4 3300 B23R3.1996861 CCC(NCC(c1ccccc1)c2ccccc2)C3CC3 269862a_100000739227_100000759681 [0,0,1,1,0,0|2,0,0]=4 3301 B23R3.1996861 CCN(CC=C(c1ccccc1)c2ccccc2)C3CC3 270004a_100000738653_100000050448 [0,0,1,1,0,0|0,0,2]=4 3302 B23R3.1996861 CCN(CCC(c1ccccc1)c2ccccc2)C3CC3 2230a_100000738653_100009813428 [0,0,1,1,0,0|0,0,0]=2 3303 B23R3.1996861 CCN(CCC(c1ccccc1)c2ccccc2)C3CC3 269982a_100000738653_100009813428 [0,0,1,1,0,0|0,0,0]=2 3304 B23R3.1996861 CCN(CC[S+](c1ccccc1)c2ccccc2)C3CC3 2230a_100000738653_100010140906 [0,0,1,1,0,0|1,0,0]=3 3305 B23R3.1996861 CCN(CC[S+](c1ccccc1)c2ccccc2)C3CC3 269982a_100000738653_100010140906 [0,0,1,1,0,0|1,0,0]=3 3306 B23R3.5255688 CCC1(CCC1)CNC(c2ccccc2)c3ccccc3 2230a_100000685557_100000211591 [0,0,1,1,0,0|2,0,0]=4 3307 B23R3.5255688 CCC1(CCC1)CNC(c2ccccc2)c3ccccc3 270004a_100000685557_100000210122 [0,0,1,1,0,0|2,0,0]=4 3308 B23R3.8717540 CCCC(CC)NCC1c2ccccc2-c3c1cccc3 270004a_100016995487_100000687865 [0,0,1,1,0,0|2,0,0]=4 3309 B23R4.1519781 c1ccc(cc1)C(NC2CCC3C2C3)c4ccccc4 269862a_100000162943_100000692480 [0,0,0,1,1,0|2,0,0]=4 3310 B23R4.1519781 c1ccc(cc1)C(NC2CCC3C2C3)c4ccccc4 270004a_100000162943_100000692480 [0,0,0,1,1,0|2,0,0]=4 3311 B23R4.1519814 c1ccc(cc1)C(NC2CC3CC3C2)c4ccccc4 270004a_100000162943_100010340937 [0,0,0,1,1,0|2,0,0]=4 3312 B23R4.1520393 c1ccc2c(c1)-c3ccccc3C2NC4CCCCC4 2230a_100000182618_100000211598 [0,0,0,1,1,0|2,0,0]=4 3313 B23R4.1520393 c1ccc2c(c1)-c3ccccc3C2NC4CCCCC4 270004a_100000104097_100000210434 [0,0,0,1,1,0|2,0,0]=4 3314 B23R4.4610233 c1ccc(cc1)C(c2ccccc2)N3C4CCC3CC4 2230a_100000735658_100000211591 [0,0,0,1,1,0|2,0,0]=4 3315 B23R4.4610233 c1ccc(cc1)C(c2ccccc2)N3C4CCC3CC4 269982a_100000735658_100000211591 [0,0,0,1,1,0|2,0,0]=4 3316 B23R4.4610233 c1ccc(cc1)C(c2ccccc2)N3C4CCC3CC4 270004a_100000735658_100000210122 [0,0,0,1,1,0|2,0,0]=4 3317 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2CNC4CCCC4 2230a_100016995487_100000179811 [0,0,0,1,1,0|2,0,0]=4 3318 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2CNC4CCCC4 270004a_100016995487_100000210133 [0,0,0,1,1,0|2,0,0]=4 3319 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2CNC4CCCC4 34a_100016995487_100000179811 [0,0,0,1,1,0|2,0,0]=4 3320 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2COC4CCCC4 34a_100011215202_100000179811 [0,0,0,1,1,0|2,0,0]=4 3321 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2COC4CCCC4 7a_100011215202_100000179811 [0,0,0,1,1,0|2,0,0]=4 3322 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2NCC4CCCC4 2230a_100000104097_100000740388 [0,0,0,1,1,0|2,0,0]=4 3323 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2NCC4CCCC4 2230a_100000737975_100000211598 [0,0,0,1,1,0|2,0,0]=4 3324 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2NCC4CCCC4 269862a_100000104097_100000746403 [0,0,0,1,1,0|2,0,0]=4 3325 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2OCC4CCCC4 7a_100000211495_100000740388 [0,0,0,1,1,0|2,0,0]=4 3326 B23R4.1517316 c1ccc2c(c1)-c3ccccc3C2OCC4CCCC4 7a_100000742336_100000211598 [0,0,0,1,1,0|2,0,0]=4 3327 B23R4.4610239 c1ccc(cc1)C(c2ccccc2)N3CC4CCC3C4 2230a_100000743476_100000211591 [0,0,0,1,1,0|2,0,0]=4 3328 B23R4.4610239 c1ccc(cc1)C(c2ccccc2)N3CC4CCC3C4 269982a_100000743476_100000211591 [0,0,0,1,1,0|2,0,0]=4 3329 B23R4.4610239 c1ccc(cc1)C(c2ccccc2)N3CC4CCC3C4 270004a_100000743476_100000210122 [0,0,0,1,1,0|2,0,0]=4 3330 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCCCC4 2230a_100016995487_100000211423 [0,0,0,1,0,1|1,0,0]=3 3331 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCCCC4 269862a_100016995487_100000211278 [0,0,0,1,0,1|1,0,0]=3 3332 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCCCC4 34a_100016995487_100000211423 [0,0,0,1,0,1|1,0,0]=3 3333 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCCCO4 2230a_100016995487_100000211543 [0,0,0,1,0,1|2,0,0]=4 3334 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCCCO4 34a_100016995487_100000211543 [0,0,0,1,0,1|2,0,0]=4 3335 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCCOC4 2230a_100016995487_100000741521 [0,0,0,1,0,1|2,0,0]=4 3336 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCCOC4 34a_100016995487_100000741521 [0,0,0,1,0,1|2,0,0]=4 3337 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCOCC4 2230a_100016995487_100000754603 [0,0,0,1,0,1|2,0,0]=4 3338 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCOCC4 269862a_100016995487_100000749017 [0,0,0,1,0,1|2,0,0]=4 3339 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCOCC4 34a_100016995487_100000754603 [0,0,0,1,0,1|2,0,0]=4 3340 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCSCC4 269862a_100016995487_100000067145 [0,0,0,1,0,1|2,0,0]=4 3341 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2CNCC4CCSCC4 270004a_100016995487_100000067145 [0,0,0,1,0,1|2,0,0]=4 3342 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2COCC4CCCCO4 34a_100011215202_100000211543 [0,0,0,1,0,1|2,0,0]=4 3343 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2COCC4CCCCO4 7a_100011215202_100000211543 [0,0,0,1,0,1|2,0,0]=4 3344 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2COCC4CCCOC4 34a_100011215202_100000741521 [0,0,0,1,0,1|2,0,0]=4 3345 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2COCC4CCCOC4 7a_100011215202_100000741521 [0,0,0,1,0,1|2,0,0]=4 3346 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2COCC4CCOCC4 34a_100011215202_100000754603 [0,0,0,1,0,1|2,0,0]=4 3347 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2COCC4CCOCC4 7a_100011215202_100000754603 [0,0,0,1,0,1|2,0,0]=4 3348 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2NCCC4CCCCO4 2230a_100015183643_100000211598 [0,0,0,1,0,1|2,0,0]=4 3349 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2NCCC4CCOCC4 2230a_100000104097_100011934994 [0,0,0,1,0,1|2,0,0]=4 3350 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2NCCC4CCOCC4 2230a_100000755988_100000211598 [0,0,0,1,0,1|2,0,0]=4 3351 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2NCCN4CCCCC4 2230a_100000104097_100000739454 [0,0,0,1,0,1|0,0,0]=2 3352 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2NCCN4CCOCC4 2230a_100000104097_100025781966 [0,0,0,1,0,1|1,0,0]=3 3353 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2NCCN4CCSCC4 2230a_100000755026_100000211598 [0,0,0,1,0,1|1,0,0]=3 3354 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2NCOC4CCCCC4 2230a_100000104097_100011935260 [0,0,0,1,0,1|2,0,0]=4 3355 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2OCCC4CCOCC4 7a_100000211495_100011934994 [0,0,0,1,0,1|2,0,0]=4 3356 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2OCCC4CCOCC4 7a_100011933979_100000211598 [0,0,0,1,0,1|2,0,0]=4 3357 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2OCCN4CCCCC4 7a_100000211495_100000739454 [0,0,0,1,0,1|0,0,0]=2 3358 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2OCCN4CCOCC4 7a_100000211495_100000211760 [0,0,0,1,0,1|1,0,0]=3 3359 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2OCCN4CCSCC4 7a_100000686052_100000211598 [0,0,0,1,0,1|1,0,0]=3 3360 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2SCCN4CCCCC4 62a_100000211598_100000739454 [0,0,0,1,0,1|0,0,0]=2 3361 B25R4.1655245 c1ccc2c(c1)-c3ccccc3C2SCCN4CCOCC4 62a_100000211598_100000211760 [0,0,0,1,0,1|1,0,0]=3 3362 B25R4.8313090 c1ccc(cc1)C(CCNC2CCC3C2C3)c4ccccc4 269862a_100000272388_100000692480 [0,0,0,1,0,1|1,0,0]=3 3363 B25R4.8313090 c1ccc(cc1)C(CCNC2CCC3C2C3)c4ccccc4 270004a_100000272388_100000692480 [0,0,0,1,0,1|1,0,0]=3 3364 B25R4.8313090 c1ccc(cc1)P(CCNC2CCC3C2C3)c4ccccc4 269862a_107094377242_100000692480 [0,0,0,1,0,1|2,0,0]=4 3365 B25R4.8313090 c1ccc(cc1)P(CCNC2CCC3C2C3)c4ccccc4 270004a_107094377242_100000692480 [0,0,0,1,0,1|2,0,0]=4 3366 B25R4.8313093 c1ccc(cc1)C(CCN2C3CCC2CC3)c4ccccc4 2230a_100000735658_100009813428 [0,0,0,1,0,1|1,0,0]=3 3367 B25R4.8313093 c1ccc(cc1)C(CCN2C3CCC2CC3)c4ccccc4 269982a_100000735658_100009813428 [0,0,0,1,0,1|1,0,0]=3 3368 B25R4.8313093 c1ccc(cc1)C(CCN2C3CCC2CC3)c4ccccc4 34a_100000735658_100009813428 [0,0,0,1,0,1|1,0,0]=3 3369 B25R4.8313093 c1ccc(cc1)C(CNC2C3CCC2CC3)c4ccccc4 34a_100000739227_100009813300 [0,0,0,1,0,1|1,0,0]=3 3370 B25R4.8313093 c1ccc(cc1)[S+](CCN2C3CCC2CC3)c4ccccc4 2230a_100000735658_100010140906 [0,0,0,1,0,1|2,0,0]=4 3371 B25R4.8313093 c1ccc(cc1)[S+](CCN2C3CCC2CC3)c4ccccc4 269982a_100000735658_100010140906 [0,0,0,1,0,1|2,0,0]=4 3372 B25R4.8321265 c1ccc(cc1)C(N[C@H]2CN3CCC2CC3)c4ccccc4 2230a_100016987387_100000211591 [0,0,0,1,0,1|0,0,0]=2 3373 B25R4.8323931 c1ccc(cc1)C(c2ccccc2)N3CCN4CCC3CC4 269982a_100000027273_100000211591 [0,0,0,1,0,1|0,0,0]=2 3374 B25R4.8323931 c1ccc(cc1)C(c2ccccc2)N3CCN4CCC3CC4 270004a_100000027273_100000210122 [0,0,0,1,0,1|0,0,0]=2 3375 B25R4.8323931 c1ccc(cc1)C(c2ccccn2)N3CCN4CCC3CC4 270004a_100000027273_100000210380 [0,0,0,1,0,1|1,0,0]=3 3376 B25R4.8323931 c1ccc(cc1)C(c2cccnc2)N3CCN4CCC3CC4 270004a_100000027273_100000735413 [0,0,0,1,0,1|1,0,0]=3 3377 B25R4.8323931 c1ccc(nc1)C(c2cccnc2)N3CCN4CCC3CC4 270004a_100000027273_100011376182 [0,0,0,1,0,1|2,0,0]=4 3378 B25R4.8323931 c1cncc(c1)C(c2cccnc2)N3CCN4CCC3CC4 270004a_100000027273_200011376183 [0,0,0,1,0,1|2,0,0]=4 3379 B25R4.8323974 c1ccc(cc1)C(CCNC2C3C2COC3)c4ccccc4 2230a_100000702821_100009813428 [0,0,0,1,0,1|2,0,0]=4 3380 B25R4.8323974 c1ccc(cc1)C(CCNC2C3C2COC3)c4ccccc4 34a_100000702821_100009813428 [0,0,0,1,0,1|2,0,0]=4 3381 B25R4.8323978 c1ccc(cc1)C(CCNC2CC3CC3C2)c4ccccc4 270004a_100000272388_100010340937 [0,0,0,1,0,1|1,0,0]=3 3382 B25R4.8323978 c1ccc(cc1)C(OCCN2CC3CC3C2)c4ccccc4 2230a_100000741873_100000734929 [0,0,0,1,0,1|0,0,0]=2 3383 B25R4.8323978 c1ccc(cc1)C(OCCN2CC3CC3C2)c4ccccc4 269982a_100000741873_100000734929 [0,0,0,1,0,1|0,0,0]=2 3384 B25R4.8323978 c1ccc(cc1)C(OCCN2CC3CC3C2)c4ccccc4 34a_100000741873_100000734929 [0,0,0,1,0,1|0,0,0]=2 3385 B25R4.8323978 c1ccc(cc1)P(CCNC2CC3CC3C2)c4ccccc4 270004a_107094377242_100010340937 [0,0,0,1,0,1|2,0,0]=4 3386 B25R4.1654576 c1ccc(cc1)C(CNC2CCCC3C2C3)c4ccccc4 269862a_100000739227_100000697651 [0,0,0,1,0,1|2,0,0]=4 3387 B25R4.6446261 c1ccc2c(c1)-c3ccccc3C2CNC4CCCNCC4 270004a_100016995487_100015187895 [0,0,0,1,0,1|2,0,0]=4 3388 B25R4.1678928 CC(CC(c1ccccc1)c2ccccc2)N3CC4CC4C3 270004a_100000741873_200000011111 [0,1,0,1,0,0|0,0,0]=2 3389 B25R4.1678928 O=C(CC(c1ccccc1)c2ccccc2)N3CC4CC4C3 11a_100000741873_100000499737 [0,1,0,1,0,0|0,0,1]=3 3390 B25R4.1678928 O=C(CC(c1ccccc1)c2ccccc2)N3CC4CC4C3 1626a_100000741873_100000499737 [0,1,0,1,0,0|0,0,1]=3 3391 B25R4.1678928 O=C(CC(c1ccccc1)c2ccccc2)N3CC4CC4C3 240690a_100000741873_100000499737 [0,1,0,1,0,0|0,0,1]=3 3392 B25R4.1678928 O=C(CC(c1ccccc1)c2ccccc2)N3CC4CC4C3 527a_100000741873_100000499737 [0,1,0,1,0,0|0,0,1]=3 3393 B25R4.1678928 O=C(CP(c1ccccc1)c2ccccc2)N3CC4CC4C3 11a_100000741873_200020607205 [0,1,0,1,0,0|1,0,1]=4 3394 B25R4.1678928 O=C(CP(c1ccccc1)c2ccccc2)N3CC4CC4C3 1626a_100000741873_200020607205 [0,1,0,1,0,0|1,0,1]=4 3395 B25R4.1678928 O=C(CP(c1ccccc1)c2ccccc2)N3CC4CC4C3 240690a_100000741873_200020607205 [0,1,0,1,0,0|1,0,1]=4 3396 B25R4.1678928 O=C(CP(c1ccccc1)c2ccccc2)N3CC4CC4C3 527a_100000741873_200020607205 [0,1,0,1,0,0|1,0,1]=4 3397 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCCOC4 11a_100000131196_100000011082 [0,1,0,1,0,0|1,0,1]=4 3398 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCCOC4 240690a_100000131196_100000011082 [0,1,0,1,0,0|1,0,1]=4 3399 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCOCC4 11a_100015191051_100000011082 [0,1,0,1,0,0|1,0,1]=4 3400 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCOCC4 1626a_100015191051_100000011082 [0,1,0,1,0,0|1,0,1]=4 3401 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCOCC4 240690a_100015191051_100000011082 [0,1,0,1,0,0|1,0,1]=4 3402 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCOCC4 527a_100015191051_100000011082 [0,1,0,1,0,0|1,0,1]=4 3403 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCSCC4 11a_100000737611_100000011082 [0,1,0,1,0,0|1,0,1]=4 3404 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCSCC4 240690a_100000737611_100000011082 [0,1,0,1,0,0|1,0,1]=4 3405 B25R4.54373159 O=C(CC1c2ccccc2-c3c1cccc3)N4CCSCC4 527a_100000737611_100000011082 [0,1,0,1,0,0|1,0,1]=4 3406 B25R4.2295206 Fc1cccc(c1)C(NC2C3CCC2CC3)c4ccccc4 34a_100000686443_100009813300 [0,1,0,1,0,0|2,0,0]=4 3407 B25R4.2937826 Nc1ccc-2c(c1)C(c3c2cccc3)COC4CCCCC4 34a_200010591344_100000210327 [0,1,0,1,0,0|2,0,0]=4 3408 B25R4.2937826 Nc1ccc-2c(c1)C(c3c2cccc3)COC4CCCCC4 7a_200010591344_100000210327 [0,1,0,1,0,0|2,0,0]=4 3409 B25R4.50009191 Cc1cccc(c1)C(c2ccccc2)N3CC4CCC3CC4 270004a_100000750499_100011217825 [0,1,0,1,0,0|2,0,0]=4 3410 B25R4.50009191 Fc1cccc(c1)C(c2ccccc2)N3CC4CCC3CC4 270004a_100000750499_200011219850 [0,1,0,1,0,0|2,0,0]=4 3411 B25R4.2786505 Cc1ccccc1C(NC2C3CCC2CC3)c4ccccc4 34a_100000222801_100009813300 [0,1,0,1,0,0|2,0,0]=4 3412 B25R4.2786505 Nc1ccccc1C(OC2C3CCC2CC3)c4ccccc4 34a_100000246470_100009813300 [0,1,0,1,0,0|2,0,0]=4 3413 B25R4.3999423 Cc1ccccc1C(c2ccccc2)N3CC4CCC3CC4 2230a_100000750499_100000230135 [0,1,0,1,0,0|2,0,0]=4 3414 B25R4.3999423 Cc1ccccc1C(c2ccccc2)N3CC4CCC3CC4 269982a_100000750499_100000230135 [0,1,0,1,0,0|2,0,0]=4 3415 B25R4.3999423 Cc1ccccc1C(c2ccccc2)N3CC4CCC3CC4 270004a_100000750499_100000735561 [0,1,0,1,0,0|2,0,0]=4 3416 B25R4.3999423 Fc1ccccc1C(c2ccccc2)N3CC4CCC3CC4 270004a_100000750499_100011217773 [0,1,0,1,0,0|2,0,0]=4 3417 B25R4.2358200 CC1CCCCC1NCC2c3ccccc3-c4c2cccc4 269862a_100016995487_100000210921 [0,1,0,1,0,0|2,0,0]=4 3418 B25R4.2358200 CC1CCCCC1NCC2c3ccccc3-c4c2cccc4 270004a_100016995487_100000210921 [0,1,0,1,0,0|2,0,0]=4 3419 B25R4.2358200 FC1CCCCC1NCC2c3ccccc3-c4c2cccc4 34a_100016995487_100015423560 [0,1,0,1,0,0|2,0,0]=4 3420 B25R4.2358200 OC1CCCCC1NCC2c3ccccc3-c4c2cccc4 34a_100016995487_100000038908 [0,1,0,1,0,0|2,0,0]=4 3421 B25R4.2358200 OC1CCCCC1OCC2c3ccccc3-c4c2cccc4 34a_100011215202_100000038908 [0,1,0,1,0,0|2,0,0]=4 3422 B25R4.8321568 C(=C(c1ccccc1)c2ccccc2)CN3CC4CCC3C4 270004a_100000743476_100000050448 [0,1,0,1,0,0|0,0,2]=4 3423 B25R4.8321568 C1=CC2CC1CN2CCC(c3ccccc3)c4ccccc4 2230a_100000732668_100009813428 [0,1,0,1,0,0|0,0,2]=4 3424 B25R4.8321568 C1=CC2CC1CN2CCC(c3ccccc3)c4ccccc4 269982a_100000732668_100009813428 [0,1,0,1,0,0|0,0,2]=4 3425 B25R4.8321568 C1=CC2CC1CN2CCC(c3ccccc3)c4ccccc4 34a_100000732668_100009813428 [0,1,0,1,0,0|0,0,2]=4 3426 B25R4.8321568 c1ccc(cc1)C(CCN2CC3CCC2C3)c4ccccc4 2230a_100000743476_100009813428 [0,1,0,1,0,0|0,0,0]=2 3427 B25R4.8321568 c1ccc(cc1)C(CCN2CC3CCC2C3)c4ccccc4 269982a_100000743476_100009813428 [0,1,0,1,0,0|0,0,0]=2 3428 B25R4.8321568 c1ccc(cc1)C(CCN2CC3CCC2C3)c4ccccc4 34a_100000743476_100009813428 [0,1,0,1,0,0|0,0,0]=2 3429 B25R4.8321568 c1ccc(cc1)C(CCN2C[C@H]3C[C@@H]2CO3)c4ccccc4 2230a_100016995552_100009813428 [0,1,0,1,0,0|1,0,0]=3 3430 B25R4.8321568 c1ccc(cc1)C(CCN2C[C@H]3C[C@@H]2CO3)c4ccccc4 269982a_100016995552_100009813428 [0,1,0,1,0,0|1,0,0]=3 3431 B25R4.8321568 c1ccc(cc1)C(CCN2C[C@H]3C[C@@H]2CO3)c4ccccc4 34a_100016995552_100009813428 [0,1,0,1,0,0|1,0,0]=3 3432 B25R4.8321568 c1ccc(cc1)C(CNC2CC3CCC2C3)c4ccccc4 269862a_100000739227_100000223372 [0,1,0,1,0,0|2,0,0]=4 3433 B25R4.8321568 c1ccc(cc1)C(CNC2CC3CCC2C3)c4ccccc4 270004a_100000739227_100000223372 [0,1,0,1,0,0|2,0,0]=4 3434 B25R4.8321568 c1ccc(cc1)C(CNC2CC3CCC2C3)c4ccccc4 34a_100000739227_100000727232 [0,1,0,1,0,0|2,0,0]=4 3435 B25R4.8321568 c1ccc(cc1)C(NCC2CC3CCC2C3)c4ccccc4 269862a_100000162943_100000697602 [0,1,0,1,0,0|2,0,0]=4 3436 B25R4.8321568 c1ccc(cc1)C(NCC2CC3CCC2C3)c4ccccc4 270004a_100000162943_100000697602 [0,1,0,1,0,0|2,0,0]=4 3437 B25R4.8321568 c1ccc(cc1)[S+](CCN2CC3CCC2C3)c4ccccc4 2230a_100000743476_100010140906 [0,1,0,1,0,0|1,0,0]=3 3438 B25R4.8321568 c1ccc(cc1)[S+](CCN2CC3CCC2C3)c4ccccc4 269982a_100000743476_100010140906 [0,1,0,1,0,0|1,0,0]=3 3439 B25R4.8321568 c1ccc(cc1)[S+](CCN2C[C@H]3C[C@@H]2CO3)c4ccccc4 2230a_100016995552_100010140906 [0,1,0,1,0,0|2,0,0]=4 3440 B25R4.8321568 c1ccc(cc1)[S+](CCN2C[C@H]3C[C@@H]2CO3)c4ccccc4 269982a_100016995552_100010140906 [0,1,0,1,0,0|2,0,0]=4 3441 B25R4.8323921 c1ccc(cc1)C(c2ccccc2)N3C[C@H]4CCCC[C@H]4C3 2230a_100015204113_100000211591 [0,1,0,1,0,0|2,0,0]=4 3442 B25R4.8323921 c1ccc(cc1)C(c2ccccc2)N3C[C@H]4CCCC[C@H]4C3 269982a_100015204113_100000211591 [0,1,0,1,0,0|2,0,0]=4 3443 B25R4.8323921 c1ccc(cc1)C(c2ccccc2)N3C[C@H]4CCCC[C@H]4C3 270004a_100015204113_100000210122 [0,1,0,1,0,0|2,0,0]=4 3444 B25R4.1553565 CN(C(c1ccccc1)c2ccccc2)C3C4CCC3CC4 269982a_100103148541_100009813300 [0,1,0,1,0,0|2,0,0]=4 3445 B25R4.1553594 O=C(C(c1ccccc1)c2ccccc2)[C@H]3[C@H]4[C@@H]3CCCC4 1458a_100153394716_100011216954 [0,1,0,1,0,0|1,0,1]=4 3446 B25R4.54461433 O=C(CN1CC2CC2C1)N(c3ccccc3)c4ccccc4 2230a_100000741873_200015198546 [0,1,0,1,0,0|1,0,1]=4 3447 B25R4.54461433 O=C(CN1CC2CC2C1)N(c3ccccc3)c4ccccc4 269982a_100000741873_200015198546 [0,1,0,1,0,0|1,0,1]=4 3448 B25R4.2257094 Cc1ccc(cc1)C(NC2C3CCC2CC3)c4ccccc4 34a_100000736602_100009813300 [0,1,0,1,0,0|2,0,0]=4 3449 B25R4.2257094 Fc1ccc(cc1)C(NC2C3CCC2CC3)c4ccccc4 34a_100000737529_100009813300 [0,1,0,1,0,0|2,0,0]=4 3450 B25R4.2257094 Nc1ccc(cc1)C(OC2C3CCC2CC3)c4ccccc4 34a_100011236343_100009813300 [0,1,0,1,0,0|2,0,0]=4 3451 B25R4.2257094 Oc1ccc(cc1)C(NC2C3CCC2CC3)c4ccccc4 34a_100000198503_100009813300 [0,1,0,1,0,0|2,0,0]=4 3452 B25R4.5855172 Cc1ccc(cc1)C(c2ccccc2)N3CC4CCC3CC4 270004a_100000750499_100000210966 [0,1,0,1,0,0|2,0,0]=4 3453 B25R4.5855172 Fc1ccc(cc1)C(c2ccccc2)N3CC4CCC3CC4 270004a_100000750499_100000210425 [0,1,0,1,0,0|2,0,0]=4 3454 B25R4.5851424 CC1CCC(CC1)NCC2c3ccccc3-c4c2cccc4 270004a_100016995487_100000185489 [0,1,0,1,0,0|2,0,0]=4 3455 B25R4.5851424 CC1CCC(CC1)NCC2c3ccccc3-c4c2cccc4 34a_100016995487_200011216234 [0,1,0,1,0,0|2,0,0]=4 3456 B25R4.5851424 OC1CCC(CC1)NCC2c3ccccc3-c4c2cccc4 270004a_100016995487_100000764474 [0,1,0,1,0,0|2,0,0]=4 3457 B25R4.2290569 CC1CCCC(C1)NCC2c3ccccc3-c4c2cccc4 270004a_100016995487_100000183594 [0,1,0,1,0,0|2,0,0]=4 3458 B25R4.2290569 OC1CCCC(C1)CNC2c3ccccc3-c4c2cccc4 2230a_100011254705_100000211598 [0,1,0,1,0,0|2,0,0]=4 3459 B25R4.2290569 OC1CCCC(C1)NCC2c3ccccc3-c4c2cccc4 270004a_100016995487_100012613340 [0,1,0,1,0,0|2,0,0]=4 3460 B25R4.54495375 CC(CNC1CC2CC2C1)(c3ccccc3)c4ccccc4 270004a_100000706881_100010340937 [0,1,0,1,0,0|2,0,0]=4 3461 B25R4.89585375 CC(CNC1CCC2C1C2)(c3ccccc3)c4ccccc4 269862a_100000706881_100000692480 [0,1,0,1,0,0|2,0,0]=4 3462 B25R4.89585375 CC(CNC1CCC2C1C2)(c3ccccc3)c4ccccc4 270004a_100000706881_100000692480 [0,1,0,1,0,0|2,0,0]=4 3463 B25R4.236874653 OC1(CCCCC1)CNC2c3ccccc3-c4c2cccc4 2230a_100000748649_100000211598 [0,1,0,1,0,0|2,0,0]=4 3464 B25R5.1148872 c1ccc2c(c1)-c3ccccc3C2CNC4CCC5C4C5 269862a_100016995487_100000692480 [0,0,0,2,0,0|2,0,0]=4 3465 B25R5.1148872 c1ccc2c(c1)-c3ccccc3C2CNC4CCC5C4C5 270004a_100016995487_100000692480 [0,0,0,2,0,0|2,0,0]=4 3466 B25R5.1148873 c1ccc2c(c1)-c3ccccc3C2CNC4CC5CC5C4 270004a_100016995487_100010340937 [0,0,0,2,0,0|2,0,0]=4 3467 B25R5.1148981 c1ccc2c(c1)-c3ccccc3C2N4CC5CCC4CC5 2230a_100000750499_100000211598 [0,0,0,2,0,0|2,0,0]=4 3468 B25R5.1148981 c1ccc2c(c1)-c3ccccc3C2N4CC5CCC4CC5 269982a_100000750499_100000211598 [0,0,0,2,0,0|2,0,0]=4 3469 B21R2.13336 CCCCCNCCC(c1ccccc1)c2ccco2 2230a_200000066865_100000210326 [0,0,1,0,1,0|1,0,0]=3 3470 B21R2.13336 CCCCCNCCC(c1ccccc1)c2ccco2 34a_200000066865_100000718602 [0,0,1,0,1,0|1,0,0]=3 3471 B21R2.13336 CCOCCNCCC(c1ccccc1)c2ccco2 2230a_200000066865_100011215890 [0,0,1,0,1,0|2,0,0]=4 3472 B21R2.13336 CCOCCNCCC(c1ccccc1)c2ccco2 34a_200000066865_100000210147 [0,0,1,0,1,0|2,0,0]=4 3473 B21R2.13336 CCSCCNCCC(c1ccccc1)c2ccco2 2230a_200000066865_100000757381 [0,0,1,0,1,0|2,0,0]=4 3474 B21R2.13336 CCSCCNCCC(c1ccccc1)c2ccco2 34a_200000066865_100000757381 [0,0,1,0,1,0|2,0,0]=4 3475 B21R2.13336 COCCCNCCC(c1ccccc1)c2ccco2 2230a_200000066865_100000740836 [0,0,1,0,1,0|2,0,0]=4 3476 B21R2.13336 COCCCNCCC(c1ccccc1)c2ccco2 34a_200000066865_100000740836 [0,0,1,0,1,0|2,0,0]=4 3477 B21R2.13336 FCCCCNCCC(c1ccccc1)c2ccco2 2230a_200000066865_100000729493 [0,0,1,0,1,0|2,0,0]=4 3478 B21R2.13336 FCCCCNCCC(c1ccccc1)c2ccco2 34a_200000066865_100000729493 [0,0,1,0,1,0|2,0,0]=4 3479 B21R2.13336 OCCCCNCCC(c1ccccc1)c2ccco2 2230a_200000066865_100000210776 [0,0,1,0,1,0|2,0,0]=4 3480 B21R2.13336 OCCCCNCCC(c1ccccc1)c2ccco2 34a_200000066865_100011216708 [0,0,1,0,1,0|2,0,0]=4 3481 B21R2.25778 CCCCC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000210211 [0,0,1,0,1,0|2,0,0]=4 3482 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000126638_100000211591 [0,0,1,0,1,0|2,0,0]=4 3483 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_200011215066 [0,0,1,0,1,0|2,0,0]=4 3484 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000126638_100000210122 [0,0,1,0,1,0|2,0,0]=4 3485 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000210087 [0,0,1,0,1,0|2,0,0]=4 3486 B21R2.25778 CCCCC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_200011215066 [0,0,1,0,1,0|2,0,0]=4 3487 B21R2.25778 CCCNC(C)CC(c1ccccc1)c2ccccc2 270004a_100020643023_200000011111 [0,0,1,0,1,0|2,0,0]=4 3488 B21R2.5883 CCCC(CC)NC(c1ccccc1)c2ccccc2 2230a_100000747048_100000211591 [0,0,1,0,1,0|2,0,0]=4 3489 B21R2.5883 CCCC(CC)NC(c1ccccc1)c2ccccc2 270004a_100000162943_100000687865 [0,0,1,0,1,0|2,0,0]=4 3490 B21R2.5883 CCCC(CC)NC(c1ccccc1)c2ccccc2 270004a_100000747048_100000210122 [0,0,1,0,1,0|2,0,0]=4 3491 B23R2.6160 C#CCN(CC)CCOC(c1ccccc1)c2ccccc2 2230a_100000744766_100000734929 [0,0,1,0,0,1|0,0,2]=4 3492 B23R2.6160 C#CCN(CC)CCOC(c1ccccc1)c2ccccc2 269982a_100000744766_100000734929 [0,0,1,0,0,1|0,0,2]=4 3493 B23R2.6160 CCC(COC)NCCC(c1ccccc1)c2ccccc2 2230a_100000757820_100009813428 [0,0,1,0,0,1|2,0,0]=4 3494 B23R2.6160 CCC(COC)NCCC(c1ccccc1)c2ccccc2 270004a_100000272388_100000757811 [0,0,1,0,0,1|2,0,0]=4 3495 B23R2.6160 CCC(COC)OCCC(c1ccccc1)c2ccccc2 7a_200011214946_100009813428 [0,0,1,0,0,1|2,0,0]=4 3496 B23R2.6160 CCCC(CC)NCCP(c1ccccc1)c2ccccc2 270004a_107094377242_100000687865 [0,0,1,0,0,1|2,0,0]=4 3497 B23R2.6160 CCCC(CC)NCC[S+](c1ccccc1)c2ccccc2 2230a_100000747048_100010140906 [0,0,1,0,0,1|2,0,0]=4 3498 B23R2.6160 CCCN(CC)CCOC(c1ccccc1)c2ccccc2 2230a_100000226822_100000734929 [0,0,1,0,0,1|0,0,0]=2 3499 B23R2.6160 CCCN(CC)CCOC(c1ccccc1)c2ccccc2 269982a_100000226822_100000734929 [0,0,1,0,0,1|0,0,0]=2 3500 B23R2.6160 CCC[C@@H](CO)NCCC(c1ccccc1)c2ccccc2 2230a_100000732646_100009813428 [0,0,1,0,0,1|2,0,0]=4 3501 B23R2.6160 CCC[C@@H](CO)NCCC(c1ccccc1)c2ccccc2 34a_100000732646_100009813428 [0,0,1,0,0,1|2,0,0]=4 3502 B23R2.6160 CCN(CCO)CCOC(c1ccccc1)c2ccccc2 2230a_100000210973_100000734929 [0,0,1,0,0,1|1,0,0]=3 3503 B23R2.6160 CCN(CCO)CCOC(c1ccccc1)c2ccccc2 269982a_100000210973_100000734929 [0,0,1,0,0,1|1,0,0]=3 3504 B23R3.4587 c1ccc(cc1)CC(NC2CCCCC2)c3ccccc3 270004a_100025772854_100000210434 [0,0,0,0,1,1|2,0,0]=4 3505 B23R3.4595 c1ccc(cc1)C(CCNC2CCCCC2)c3ccco3 270004a_200000066865_100000210434 [0,0,0,0,1,1|2,0,0]=4 3506 B23R3.4595 c1ccc(cc1)C(CCNC2CCCCC2)c3ccco3 34a_200000066865_100000210327 [0,0,0,0,1,1|2,0,0]=4 3507 B23R3.4595 c1ccc(cc1)C(NCCC2CCCCC2)c3ccco3 2230a_100015185865_100012355289 [0,0,0,0,1,1|2,0,0]=4 3508 B23R3.4595 c1ccc(cc1)C(NCCC2CCCCC2)c3ccco3 270004a_100015185865_100011713444 [0,0,0,0,1,1|2,0,0]=4 3509 B23R3.4595 c1ccc(cc1)C(NCCC2CCCCC2)c3ccco3 34a_100015185865_100011209188 [0,0,0,0,1,1|2,0,0]=4 3510 B23R3.4595 c1ccc(cc1)C(NCCC2CCCCC2)c3ccoc3 2230a_100102946537_100012355289 [0,0,0,0,1,1|2,0,0]=4 3511 B23R3.4595 c1ccc(cc1)C(NCCC2CCCCC2)c3ccoc3 270004a_100102946537_100011713444 [0,0,0,0,1,1|2,0,0]=4 3512 B23R3.4595 c1ccc(cc1)C(NCCC2CCCCC2)c3ccoc3 34a_100102946537_100011209188 [0,0,0,0,1,1|2,0,0]=4 3513 B23R3.4595 c1ccc(cc1)C(NCCN2CCCCC2)c3ccco3 2230a_100015185865_100000739454 [0,0,0,0,1,1|1,0,0]=3 3514 B23R3.4595 c1ccc(cc1)C(NCCN2CCCCC2)c3ccco3 34a_100015185865_100000739454 [0,0,0,0,1,1|1,0,0]=3 3515 B23R3.4595 c1ccc(cc1)C(NCCN2CCCCC2)c3cccs3 2230a_100025760362_100000739454 [0,0,0,0,1,1|1,0,0]=3 3516 B23R3.4595 c1ccc(cc1)C(NCCN2CCCCC2)c3cccs3 270004a_100000216509_100011214959 [0,0,0,0,1,1|1,0,0]=3 3517 B23R3.4595 c1ccc(cc1)C(NCCN2CCCCC2)c3cccs3 34a_100025760362_100000739454 [0,0,0,0,1,1|1,0,0]=3 3518 B23R3.4595 c1ccc(cc1)C(NCCN2CCCCC2)c3ccoc3 2230a_100102946537_100000739454 [0,0,0,0,1,1|1,0,0]=3 3519 B23R3.4595 c1ccc(cc1)C(NCCN2CCCCC2)c3ccoc3 34a_100102946537_100000739454 [0,0,0,0,1,1|1,0,0]=3 3520 B23R3.4595 c1ccc(cc1)C(NCCN2CCOCC2)c3ccco3 2230a_100015185865_100025781966 [0,0,0,0,1,1|2,0,0]=4 3521 B23R3.4595 c1ccc(cc1)C(NCCN2CCOCC2)c3cccs3 2230a_100025760362_100025781966 [0,0,0,0,1,1|2,0,0]=4 3522 B23R3.4595 c1ccc(cc1)C(NCCN2CCOCC2)c3cccs3 270004a_100000211067_100011214959 [0,0,0,0,1,1|2,0,0]=4 3523 B23R3.4595 c1ccc(cc1)C(NCCN2CCOCC2)c3ccoc3 2230a_100102946537_100025781966 [0,0,0,0,1,1|2,0,0]=4 3524 B23R3.4595 c1ccc(cc1)C(NCCN2CCSCC2)c3cccs3 270004a_100000755026_100011214959 [0,0,0,0,1,1|2,0,0]=4 3525 B23R3.4595 c1ccc(cc1)C(OCCN2CCCCC2)c3ncc[nH]3 7a_100000181881_100000739454 [0,0,0,0,1,1|2,0,0]=4 3526 B23R3.1974208 c1ccc(cc1)CC(NCC2CCCC2)c3ccccc3 2230a_100025772854_100000740388 [0,0,0,0,1,1|2,0,0]=4 3527 B23R3.1974208 c1ccc(cc1)CC(NCC2CCCC2)c3ccccc3 269862a_100025772854_100000746403 [0,0,0,0,1,1|2,0,0]=4 3528 B23R3.1974208 c1ccc(cc1)CN(CCN2CCCC2)c3ccccc3 269982a_100000188819_100000004467 [0,0,0,0,1,1|1,0,0]=3 3529 B25R3.6850 c1ccc(cc1)CN(CCN2CCCCC2)Cc3ccccc3 2230a_100000185734_100000739454 [0,0,0,0,0,2|1,0,0]=3 3530 B25R3.6850 c1ccc(cc1)CN(CCN2CCCCC2)Cc3ccccc3 269982a_100000185734_100000739454 [0,0,0,0,0,2|1,0,0]=3 3531 B25R3.6850 c1ccc(cc1)CN(CCN2CCCCC2)Cc3ccncc3 269982a_100000186794_100000739454 [0,0,0,0,0,2|2,0,0]=4 3532 B25R3.6850 c1ccc(cc1)CN(CCN2CCCOC2)Cc3ccccc3 2230a_100000131196_200000104094 [0,0,0,0,0,2|2,0,0]=4 3533 B25R3.6850 c1ccc(cc1)CN(CCN2CCCOC2)Cc3ccccc3 269982a_100000131196_200000104094 [0,0,0,0,0,2|2,0,0]=4 3534 B25R3.6850 c1ccc(cc1)CN(CCN2CCOCC2)Cc3ccccc3 2230a_100000185734_100025781966 [0,0,0,0,0,2|2,0,0]=4 3535 B25R3.6850 c1ccc(cc1)CN(CCN2CCOCC2)Cc3ccccc3 2230a_100000196322_100015291786 [0,0,0,0,0,2|2,0,0]=4 3536 B25R3.6850 c1ccc(cc1)CN(CCN2CCOCC2)Cc3ccccc3 2230a_100015191051_200000104094 [0,0,0,0,0,2|2,0,0]=4 3537 B25R3.6850 c1ccc(cc1)CN(CCN2CCOCC2)Cc3ccccc3 269982a_100000185734_100000753993 [0,0,0,0,0,2|2,0,0]=4 3538 B25R3.6850 c1ccc(cc1)CN(CCN2CCOCC2)Cc3ccccc3 269982a_100000196322_100000211182 [0,0,0,0,0,2|2,0,0]=4 3539 B25R3.6850 c1ccc(cc1)CN(CCN2CCOCC2)Cc3ccccc3 269982a_100015191051_200000104094 [0,0,0,0,0,2|2,0,0]=4 3540 B25R3.6850 c1ccc(cc1)CN(CCN2CCOCC2)Cc3ccccc3 270004a_100000196322_100015611070 [0,0,0,0,0,2|2,0,0]=4 3541 B25R3.6850 c1ccc(cc1)CN(CCN2CCSCC2)Cc3ccccc3 2230a_100000737611_200000104094 [0,0,0,0,0,2|2,0,0]=4 3542 B25R3.6850 c1ccc(cc1)CN(CCN2CCSCC2)Cc3ccccc3 269982a_100000737611_200000104094 [0,0,0,0,0,2|2,0,0]=4 3543 B25R3.6855 c1ccc(cc1)CC(NCCC2CCOCC2)c3ccccc3 2230a_100025772854_100011934994 [0,0,0,0,0,2|2,0,0]=4 3544 B25R3.6855 c1ccc(cc1)CC(NCCN2CCCCC2)c3ccccc3 2230a_100025772854_100000739454 [0,0,0,0,0,2|0,0,0]=2 3545 B25R3.6855 c1ccc(cc1)CC(NCCN2CCOCC2)c3ccccc3 2230a_100025772854_100025781966 [0,0,0,0,0,2|1,0,0]=3 3546 B25R3.6855 c1ccc(cc1)CC(NCOC2CCCCC2)c3ccccc3 2230a_100025772854_100011935260 [0,0,0,0,0,2|2,0,0]=4 3547 B25R3.6855 c1ccc(cc1)CC(OCCC2CCOCC2)c3ccccc3 34a_100000246494_100011934994 [0,0,0,0,0,2|2,0,0]=4 3548 B25R3.6855 c1ccc(cc1)CC(OCCC2CCOCC2)c3ccccc3 7a_100000246494_100011934994 [0,0,0,0,0,2|2,0,0]=4 3549 B25R3.6855 c1ccc(cc1)CC(OCCN2CCCCC2)c3ccccc3 34a_100000246494_100000739454 [0,0,0,0,0,2|0,0,0]=2 3550 B25R3.6855 c1ccc(cc1)CC(OCCN2CCCCC2)c3ccccc3 7a_100000246494_100000739454 [0,0,0,0,0,2|0,0,0]=2 3551 B25R3.6855 c1ccc(cc1)CC(OCCN2CCOCC2)c3ccccc3 7a_100000246494_100000211760 [0,0,0,0,0,2|1,0,0]=3 3552 B25R3.6855 c1ccc(cc1)CN(CCCN2CCCCC2)c3ccccc3 2230a_100000188819_100000690320 [0,0,0,0,0,2|1,0,0]=3 3553 B25R3.6855 c1ccc(cc1)CN(CCCN2CCCCC2)c3ccccc3 269982a_100000188819_100000690320 [0,0,0,0,0,2|1,0,0]=3 3554 B25R3.6855 c1ccc(cc1)CN(CCCN2CCCCC2)c3ccccc3 34a_100000188819_100000690320 [0,0,0,0,0,2|1,0,0]=3 3555 B25R3.6855 c1ccc(cc1)CN(CCCN2CCOCC2)c3ccccc3 2230a_100000188819_100000748698 [0,0,0,0,0,2|2,0,0]=4 3556 B25R3.6855 c1ccc(cc1)CN(CCCN2CCOCC2)c3ccccc3 269982a_100000188819_100000748698 [0,0,0,0,0,2|2,0,0]=4 3557 B25R3.6855 c1ccc(cc1)CN(CCCN2CCOCC2)c3ccccc3 34a_100000188819_100000748698 [0,0,0,0,0,2|2,0,0]=4 3558 B25R3.1946061 c1ccc(cc1)CN(CCN2CCCCCC2)c3ccccc3 269982a_100000188819_100000722644 [0,0,0,0,0,2|1,0,0]=3 3559 B25R3.2065771 c1ccc(cc1)CNC(COC2CCCCC2)c3ccccc3 34a_100011217457_100000210327 [0,0,0,0,0,2|2,0,0]=4 3560 B25R3.2065771 c1ccc(cc1)OCC(NCC2CCCCC2)c3ccccc3 269862a_100000210473_100000150584 [0,0,0,0,0,2|2,0,0]=4 3561 B25R3.2065771 c1ccc(cc1)OCC(NCC2CCCCC2)c3ccccc3 270004a_100000210473_100000150584 [0,0,0,0,0,2|2,0,0]=4 3562 B25R3.6854 C(=NNCC1CCCCC1)C(c2ccccc2)c3ccccc3 4a_100000740227_100000183636 [0,0,0,0,0,2|1,0,1]=4 3563 B25R3.6854 c1ccc(cc1)C(CCNCC2CCCCO2)c3ccccc3 2230a_100000174945_100009813428 [0,0,0,0,0,2|2,0,0]=4 3564 B25R3.6854 c1ccc(cc1)C(CCNCC2CCCCO2)c3ccccc3 2230a_100000272388_100000211543 [0,0,0,0,0,2|2,0,0]=4 3565 B25R3.6854 c1ccc(cc1)C(CCNCC2CCCCO2)c3ccccc3 34a_100000174945_100009813428 [0,0,0,0,0,2|2,0,0]=4 3566 B25R3.6854 c1ccc(cc1)C(CCNCC2CCCCO2)c3ccccc3 34a_100000272388_100000211543 [0,0,0,0,0,2|2,0,0]=4 3567 B25R3.6854 c1ccc(cc1)C(CCNCC2CCCOC2)c3ccccc3 2230a_100000272388_100000741521 [0,0,0,0,0,2|2,0,0]=4 3568 B25R3.6854 c1ccc(cc1)C(CCNCC2CCCOC2)c3ccccc3 2230a_100000720124_100009813428 [0,0,0,0,0,2|2,0,0]=4 3569 B25R3.6854 c1ccc(cc1)C(CCNCC2CCCOC2)c3ccccc3 34a_100000272388_100000741521 [0,0,0,0,0,2|2,0,0]=4 3570 B25R3.6854 c1ccc(cc1)C(CCNCC2CCCOC2)c3ccccc3 34a_100000720124_100009813428 [0,0,0,0,0,2|2,0,0]=4 3571 B25R3.6854 c1ccc(cc1)C(CCNCC2CCOCC2)c3ccccc3 2230a_100000272388_100000754603 [0,0,0,0,0,2|2,0,0]=4 3572 B25R3.6854 c1ccc(cc1)C(CCNCC2CCOCC2)c3ccccc3 2230a_100000746373_100009813428 [0,0,0,0,0,2|2,0,0]=4 3573 B25R3.6854 c1ccc(cc1)C(CCNCC2CCOCC2)c3ccccc3 269862a_100000272388_100000749017 [0,0,0,0,0,2|2,0,0]=4 3574 B25R3.6854 c1ccc(cc1)C(CCNCC2CCOCC2)c3ccccc3 34a_100000272388_100000754603 [0,0,0,0,0,2|2,0,0]=4 3575 B25R3.6854 c1ccc(cc1)C(CCNCC2CCOCC2)c3ccccc3 34a_100000746373_100009813428 [0,0,0,0,0,2|2,0,0]=4 3576 B25R3.6854 c1ccc(cc1)C(CCNCC2CCSCC2)c3ccccc3 2230a_100015188806_100009813428 [0,0,0,0,0,2|2,0,0]=4 3577 B25R3.6854 c1ccc(cc1)C(CCNCC2CCSCC2)c3ccccc3 269862a_100000272388_100000067145 [0,0,0,0,0,2|2,0,0]=4 3578 B25R3.6854 c1ccc(cc1)C(CCNCC2CCSCC2)c3ccccc3 270004a_100000272388_100000067145 [0,0,0,0,0,2|2,0,0]=4 3579 B25R3.6854 c1ccc(cc1)C(CCNCC2CCSCC2)c3ccccc3 34a_100015188806_100009813428 [0,0,0,0,0,2|2,0,0]=4 3580 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCCN2)c3ccccc3 34a_100000210821_100009813428 [0,0,0,0,0,2|2,0,0]=4 3581 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCCO2)c3ccccc3 34a_100000032380_100000211543 [0,0,0,0,0,2|2,0,0]=4 3582 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCCO2)c3ccccc3 34a_100000211370_100009813428 [0,0,0,0,0,2|2,0,0]=4 3583 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCCO2)c3ccccc3 7a_100000032380_100000211543 [0,0,0,0,0,2|2,0,0]=4 3584 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCCO2)c3ccccc3 7a_100000211370_100009813428 [0,0,0,0,0,2|2,0,0]=4 3585 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCNC2)c3ccccc3 34a_100000211344_100009813428 [0,0,0,0,0,2|2,0,0]=4 3586 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCOC2)c3ccccc3 34a_100000032380_100000741521 [0,0,0,0,0,2|2,0,0]=4 3587 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCOC2)c3ccccc3 34a_100000741520_100009813428 [0,0,0,0,0,2|2,0,0]=4 3588 B25R3.6854 c1ccc(cc1)C(CCOCC2CCCOC2)c3ccccc3 7a_100000032380_100000741521 [0,0,0,0,0,2|2,0,0]=4 3589 B25R3.6854 c1ccc(cc1)C(CCOCC2CCNCC2)c3ccccc3 34a_100000738675_100009813428 [0,0,0,0,0,2|2,0,0]=4 3590 B25R3.6854 c1ccc(cc1)C(CCOCC2CCOCC2)c3ccccc3 34a_100000032380_100000754603 [0,0,0,0,0,2|2,0,0]=4 3591 B25R3.6854 c1ccc(cc1)C(CCOCC2CCOCC2)c3ccccc3 34a_100000749013_100009813428 [0,0,0,0,0,2|2,0,0]=4 3592 B25R3.6854 c1ccc(cc1)C(CCOCC2CCOCC2)c3ccccc3 7a_100000032380_100000754603 [0,0,0,0,0,2|2,0,0]=4 3593 B25R3.6854 c1ccc(cc1)C(CNCCC2CCOCC2)c3ccccc3 2230a_100000739227_100011934994 [0,0,0,0,0,2|2,0,0]=4 3594 B25R3.6854 c1ccc(cc1)C(CNCCC2CCOCC2)c3ccccc3 34a_100000739227_100011934994 [0,0,0,0,0,2|2,0,0]=4 3595 B25R3.6854 c1ccc(cc1)C(CNCCN2CCCCC2)c3ccccc3 2230a_100000739227_100000739454 [0,0,0,0,0,2|0,0,0]=2 3596 B25R3.6854 c1ccc(cc1)C(CNCCN2CCCCC2)c3ccccc3 34a_100000739227_100000739454 [0,0,0,0,0,2|0,0,0]=2 3597 B25R3.6854 c1ccc(cc1)C(CNCCN2CCOCC2)c3ccccc3 2230a_100000739227_100025781966 [0,0,0,0,0,2|1,0,0]=3 3598 B25R3.6854 c1ccc(cc1)C(CNCOC2CCCCC2)c3ccccc3 2230a_100000739227_100011935260 [0,0,0,0,0,2|1,0,0]=3 3599 B25R3.6854 c1ccc(cc1)C(CNCOC2CCCCC2)c3ccccc3 34a_100000739227_100011935260 [0,0,0,0,0,2|1,0,0]=3 3600 B25R3.6854 c1ccc(cc1)C(COCCC2CCOCC2)c3ccccc3 34a_100011215272_100011934994 [0,0,0,0,0,2|2,0,0]=4 3601 B25R3.6854 c1ccc(cc1)C(COCCC2CCOCC2)c3ccccc3 7a_100011215272_100011934994 [0,0,0,0,0,2|2,0,0]=4 3602 B25R3.6854 c1ccc(cc1)C(COCCN2CCCCC2)c3ccccc3 34a_100011215272_100000739454 [0,0,0,0,0,2|0,0,0]=2 3603 B25R3.6854 c1ccc(cc1)C(COCCN2CCCCC2)c3ccccc3 7a_100011215272_100000739454 [0,0,0,0,0,2|0,0,0]=2 3604 B25R3.6854 c1ccc(cc1)C(COCCN2CCOCC2)c3ccccc3 7a_100011215272_100000211760 [0,0,0,0,0,2|1,0,0]=3 3605 B25R3.6854 c1ccc(cc1)C(NCCCN2CCCCC2)c3ccccc3 2230a_100000162943_100000690320 [0,0,0,0,0,2|0,0,0]=2 3606 B25R3.6854 c1ccc(cc1)C(NCCCN2CCCCC2)c3ccccc3 270004a_100000204581_100000210122 [0,0,0,0,0,2|0,0,0]=2 3607 B25R3.6854 c1ccc(cc1)C(NCCCN2CCCCC2)c3ccccc3 34a_100000162943_100000690320 [0,0,0,0,0,2|0,0,0]=2 3608 B25R3.6854 c1ccc(cc1)C(NCCCN2CCCCC2)c3ccccn3 2230a_100000689936_100000690320 [0,0,0,0,0,2|1,0,0]=3 3609 B25R3.6854 c1ccc(cc1)C(NCCCN2CCCCC2)c3ccccn3 270004a_100000204581_100000210380 [0,0,0,0,0,2|1,0,0]=3 3610 B25R3.6854 c1ccc(cc1)C(NCCCN2CCCCC2)c3cccnc3 2230a_100011232609_100000690320 [0,0,0,0,0,2|1,0,0]=3 3611 B25R3.6854 c1ccc(cc1)C(NCCCN2CCCCC2)c3cccnc3 270004a_100000204581_100000735413 [0,0,0,0,0,2|1,0,0]=3 3612 B25R3.6854 c1ccc(cc1)C(NCCCN2CCCCC2)c3ccncc3 2230a_100025760769_100000690320 [0,0,0,0,0,2|1,0,0]=3 3613 B25R3.6854 c1ccc(cc1)C(NCCCN2CCOCC2)c3ccccc3 2230a_100000162943_100000748698 [0,0,0,0,0,2|1,0,0]=3 3614 B25R3.6854 c1ccc(cc1)C(NCCCN2CCOCC2)c3ccccc3 270004a_100000210481_100000210122 [0,0,0,0,0,2|1,0,0]=3 3615 B25R3.6854 c1ccc(cc1)C(NCCCN2CCOCC2)c3ccccc3 34a_100000162943_100000748698 [0,0,0,0,0,2|1,0,0]=3 3616 B25R3.6854 c1ccc(cc1)C(NCCCN2CCOCC2)c3ccccn3 2230a_100000689936_100000748698 [0,0,0,0,0,2|2,0,0]=4 3617 B25R3.6854 c1ccc(cc1)C(NCCCN2CCOCC2)c3ccccn3 270004a_100000210481_100000210380 [0,0,0,0,0,2|2,0,0]=4 3618 B25R3.6854 c1ccc(cc1)C(NCCCN2CCOCC2)c3cccnc3 2230a_100011232609_100000748698 [0,0,0,0,0,2|2,0,0]=4 3619 B25R3.6854 c1ccc(cc1)C(NCCCN2CCOCC2)c3cccnc3 270004a_100000210481_100000735413 [0,0,0,0,0,2|2,0,0]=4 3620 B25R3.6854 c1ccc(cc1)C(NCCCN2CCOCC2)c3ccncc3 2230a_100025760769_100000748698 [0,0,0,0,0,2|2,0,0]=4 3621 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCC2)c3ccccc3 2230a_100000162943_100011211530 [0,0,0,0,0,2|1,0,0]=3 3622 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCC2)c3ccccc3 270004a_100015206981_100000210122 [0,0,0,0,0,2|1,0,0]=3 3623 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCC2)c3ccccc3 34a_100000162943_100011211530 [0,0,0,0,0,2|1,0,0]=3 3624 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCC2)c3ccccn3 2230a_100000689936_100011211530 [0,0,0,0,0,2|2,0,0]=4 3625 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCC2)c3ccccn3 270004a_100015206981_100000210380 [0,0,0,0,0,2|2,0,0]=4 3626 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCC2)c3cccnc3 2230a_100011232609_100011211530 [0,0,0,0,0,2|2,0,0]=4 3627 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCC2)c3cccnc3 270004a_100015206981_100000735413 [0,0,0,0,0,2|2,0,0]=4 3628 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCC2)c3ccncc3 2230a_100025760769_100011211530 [0,0,0,0,0,2|2,0,0]=4 3629 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCO2)c3ccccc3 2230a_100000162943_100000744793 [0,0,0,0,0,2|2,0,0]=4 3630 B25R3.6854 c1ccc(cc1)C(NCCOC2CCCCO2)c3ccccc3 34a_100000162943_100000744793 [0,0,0,0,0,2|2,0,0]=4 3631 B25R3.6854 c1ccc(cc1)C(OCCCN2CCCCC2)c3ccccc3 34a_100000211180_100000690320 [0,0,0,0,0,2|0,0,0]=2 3632 B25R3.6854 c1ccc(cc1)C(OCCCN2CCCCC2)c3ccccc3 7a_100000211180_100000007876 [0,0,0,0,0,2|0,0,0]=2 3633 B25R3.6854 c1ccc(cc1)C(OCCCN2CCCCC2)c3ccccn3 7a_100000180852_100000007876 [0,0,0,0,0,2|1,0,0]=3 3634 B25R3.6854 c1ccc(cc1)C(OCCCN2CCOCC2)c3ccccc3 34a_100000211180_100000748698 [0,0,0,0,0,2|1,0,0]=3 3635 B25R3.6854 c1ccc(cc1)C(OCCCN2CCOCC2)c3ccccc3 7a_100000211180_100000748698 [0,0,0,0,0,2|1,0,0]=3 3636 B25R3.6854 c1ccc(cc1)C(OCCCN2CCOCC2)c3ccccn3 7a_100000180852_100000748698 [0,0,0,0,0,2|2,0,0]=4 3637 B25R3.6854 c1ccc(cc1)C(OCCNC2CCCCC2)c3ccccc3 2230a_100000182618_100000734929 [0,0,0,0,0,2|1,0,0]=3 3638 B25R3.6854 c1ccc(cc1)C(OCCNC2CCCCC2)c3ccccc3 34a_100000182618_100000734929 [0,0,0,0,0,2|1,0,0]=3 3639 B25R3.6854 c1ccc(cc1)C(OCCNC2CCCOC2)c3ccccc3 2230a_100000719290_100000734929 [0,0,0,0,0,2|2,0,0]=4 3640 B25R3.6854 c1ccc(cc1)C(OCCNC2CCCOC2)c3ccccc3 34a_100000719290_100000734929 [0,0,0,0,0,2|2,0,0]=4 3641 B25R3.6854 c1ccc(cc1)C(OCCNC2CCOCC2)c3ccccc3 2230a_100000741149_100000734929 [0,0,0,0,0,2|2,0,0]=4 3642 B25R3.6854 c1ccc(cc1)C(OCCNC2CCOCC2)c3ccccc3 34a_100000741149_100000734929 [0,0,0,0,0,2|2,0,0]=4 3643 B25R3.6854 c1ccc(cc1)C(OCCNC2CCSCC2)c3ccccc3 2230a_100000748639_100000734929 [0,0,0,0,0,2|2,0,0]=4 3644 B25R3.6854 c1ccc(cc1)C(OCCNC2CCSCC2)c3ccccc3 34a_100000748639_100000734929 [0,0,0,0,0,2|2,0,0]=4 3645 B25R3.6854 c1ccc(cc1)C(OCCOC2CCCCC2)c3ccccn3 7a_100000180852_100011211530 [0,0,0,0,0,2|2,0,0]=4 3646 B25R3.6854 c1ccc(cc1)C(OCCOC2CCCCO2)c3ccccc3 34a_100000033831_100000734929 [0,0,0,0,0,2|2,0,0]=4 3647 B25R3.6854 c1ccc(cc1)C(OCCOC2CCCCO2)c3ccccc3 34a_100000211180_100000744793 [0,0,0,0,0,2|2,0,0]=4 3648 B25R3.6854 c1ccc(cc1)C(OCCOC2CCCCO2)c3ccccc3 7a_100000034223_100011216954 [0,0,0,0,0,2|2,0,0]=4 3649 B25R3.6854 c1ccc(cc1)C(OCCOC2CCCCO2)c3ccccc3 7a_100000211180_100000744793 [0,0,0,0,0,2|2,0,0]=4 3650 B25R3.6854 c1ccc(cc1)C(OCCOC2CCCOC2)c3ccccc3 34a_100000754041_100000734929 [0,0,0,0,0,2|2,0,0]=4 3651 B25R3.6854 c1ccc(cc1)C(OCCOC2CCCSC2)c3ccccc3 7a_100015962668_100000734929 [0,0,0,0,0,2|2,0,0]=4 3652 B25R3.6854 c1ccc(cc1)C(OCCOC2CCOCC2)c3ccccc3 34a_100000744328_100000734929 [0,0,0,0,0,2|2,0,0]=4 3653 B25R3.6854 c1ccc(cc1)C(OCCOC2CCSCC2)c3ccccc3 34a_100000731022_100000734929 [0,0,0,0,0,2|2,0,0]=4 3654 B25R3.6854 c1ccc(cc1)C(OCCOC2CCSCC2)c3ccccc3 7a_100000731022_100000734929 [0,0,0,0,0,2|2,0,0]=4 3655 B25R3.6854 c1ccc(cc1)C(OCCSC2CCCOC2)c3ccccc3 62a_100000734929_100000693364 [0,0,0,0,0,2|2,0,0]=4 3656 B25R3.6854 c1ccc(cc1)C(OCCSC2CCOCC2)c3ccccc3 62a_100000734929_100011324220 [0,0,0,0,0,2|2,0,0]=4 3657 B25R3.6854 c1ccc(cc1)C(SCCCN2CCOCC2)c3ccccc3 62a_100000211591_100000748698 [0,0,0,0,0,2|1,0,0]=3 3658 B25R3.6854 c1ccc(cc1)P(CCCNC2CCCCC2)c3ccccc3 270004a_100016990410_100000210434 [0,0,0,0,0,2|2,0,0]=4 3659 B25R3.6854 c1ccc(cc1)P(CCCNC2CCCCC2)c3ccccc3 34a_100016990410_100000210327 [0,0,0,0,0,2|2,0,0]=4 3660 B25R3.6854 c1ccc(cc1)P(CCNCC2CCCCC2)c3ccccc3 2230a_107094377242_100000211423 [0,0,0,0,0,2|2,0,0]=4 3661 B25R3.6854 c1ccc(cc1)P(CCNCC2CCCCC2)c3ccccc3 269862a_107094377242_100000211278 [0,0,0,0,0,2|2,0,0]=4 3662 B25R3.6854 c1ccc(cc1)P(CCNCC2CCCCC2)c3ccccc3 34a_107094377242_100000211423 [0,0,0,0,0,2|2,0,0]=4 3663 B25R3.6854 c1ccc(cc1)[S+](CCNCC2CCCCC2)c3ccccc3 2230a_100000210473_100010140906 [0,0,0,0,0,2|2,0,0]=4 3664 B25R3.6854 c1ccc(nc1)C(NCCCN2CCCCC2)c3cccnc3 270004a_100000204581_100011376182 [0,0,0,0,0,2|2,0,0]=4 3665 B25R3.6854 c1cncc(c1)C(NCCCN2CCCCC2)c3cccnc3 270004a_100000204581_200011376183 [0,0,0,0,0,2|2,0,0]=4 3666 B25R3.1946081 c1ccc(cc1)C(CCNC2CCCNCC2)c3ccccc3 270004a_100000272388_100015187895 [0,0,0,0,0,2|1,0,0]=3 3667 B25R3.1946081 c1ccc(cc1)C(CCNC2CSCCSC2)c3ccccc3 270004a_100000272388_100000068409 [0,0,0,0,0,2|2,0,0]=4 3668 B25R3.1946081 c1ccc(cc1)C(NCCN2CCCCCC2)c3ccccc3 270004a_100000738142_100000210122 [0,0,0,0,0,2|0,0,0]=2 3669 B25R3.1946081 c1ccc(cc1)C(NCCN2CCCCCC2)c3ccccn3 270004a_100000738142_100000210380 [0,0,0,0,0,2|1,0,0]=3 3670 B25R3.1946081 c1ccc(cc1)C(NCCN2CCCCCC2)c3cccnc3 270004a_100000738142_100000735413 [0,0,0,0,0,2|1,0,0]=3 3671 B25R3.1946081 c1ccc(cc1)C(OCCN2CCCCCC2)c3ccccc3 2230a_100000185865_100000734929 [0,0,0,0,0,2|0,0,0]=2 3672 B25R3.1946081 c1ccc(cc1)C(OCCN2CCCCCC2)c3ccccc3 269982a_100000185865_100000734929 [0,0,0,0,0,2|0,0,0]=2 3673 B25R3.1946081 c1ccc(cc1)C(OCCN2CCCCCC2)c3ccccc3 34a_100000185865_100000734929 [0,0,0,0,0,2|0,0,0]=2 3674 B25R3.1946081 c1ccc(cc1)C(OCCN2CCCCCC2)c3ccccc3 7a_100000211180_100000722644 [0,0,0,0,0,2|0,0,0]=2 3675 B25R3.1946081 c1ccc(cc1)C(OCCN2CCCCCC2)c3ccccn3 7a_100000180852_100000722644 [0,0,0,0,0,2|1,0,0]=3 3676 B25R3.1946081 c1ccc(cc1)C(OCCN2CCCOCC2)c3ccccc3 2230a_100000685342_100000734929 [0,0,0,0,0,2|0,0,0]=2 3677 B25R3.1946081 c1ccc(cc1)C(OCCN2CCCOCC2)c3ccccc3 269982a_100000685342_100000734929 [0,0,0,0,0,2|0,0,0]=2 3678 B25R3.1946081 c1ccc(cc1)C(OCCN2CCCOCC2)c3ccccc3 34a_100000685342_100000734929 [0,0,0,0,0,2|0,0,0]=2 3679 B25R3.1946081 c1ccc(cc1)P(CCNC2CCCCCC2)c3ccccc3 270004a_107094377242_100000210131 [0,0,0,0,0,2|2,0,0]=4 3680 B25R3.1946081 c1ccc(cc1)P(CCNC2CCCCCC2)c3ccccc3 34a_107094377242_100011217769 [0,0,0,0,0,2|2,0,0]=4 3681 B25R3.1946081 c1ccc(cc1)P(CCNC2CCCNCC2)c3ccccc3 270004a_107094377242_100015187895 [0,0,0,0,0,2|2,0,0]=4 3682 B25R3.1946081 c1ccc(nc1)C(NCCN2CCCCCC2)c3cccnc3 270004a_100000738142_100011376182 [0,0,0,0,0,2|2,0,0]=4 3683 B25R3.1946081 c1cncc(c1)C(NCCN2CCCCCC2)c3cccnc3 270004a_100000738142_200011376183 [0,0,0,0,0,2|2,0,0]=4 3684 B25R3.4239545 c1ccc(cc1)[S+](CCN2CCCCCCC2)c3ccccc3 2230a_100000211400_100010140906 [0,0,0,0,0,2|1,0,0]=3 3685 B25R3.4239545 c1ccc(cc1)[S+](CCN2CCCCCCC2)c3ccccc3 269982a_100000211400_100010140906 [0,0,0,0,0,2|1,0,0]=3