0 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000748629 [0,0,0,0,0,0|2,0,1]=3 3 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000748629 [0,0,0,0,0,0|2,0,1]=3 6 B19R2.13577 C=C(C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000211660 [0,0,0,0,0,0|3,0,1]=4 7 B19R2.13577 C=C(C)CSC(c1ccccc1)c2ccccc2 62a_100000748629_100011216954 [0,0,0,0,0,0|3,0,1]=4 8 B19R2.13577 C=C(F)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009893438 [0,0,0,0,0,0|3,0,1]=4 9 B19R2.13577 C=C(F)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000042424 [0,0,0,0,0,0|3,0,1]=4 10 B19R2.13577 CC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000070787_100009813428 [0,0,0,0,0,0|3,0,0]=3 11 B19R2.13577 CC(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B19R2.13577 CC(=O)CC[S+](c1ccccc1)c2ccccc2 1458a_100000070787_100010140906 [0,0,0,0,0,0|4,0,0]=4 13 B19R2.13577 CC(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 1626a_100000739227_100015343762 [0,0,0,0,0,0|4,0,0]=4 15 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 240690a_100000739227_100015343762 [0,0,0,0,0,0|4,0,0]=4 16 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 527a_100000739227_100103153847 [0,0,0,0,0,0|4,0,0]=4 17 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210760 [0,0,0,0,0,0|3,0,0]=3 18 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000210953_100000211591 [0,0,0,0,0,0|3,0,0]=3 19 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000210432 [0,0,0,0,0,0|3,0,0]=3 20 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000210953_100000210122 [0,0,0,0,0,0|3,0,0]=3 21 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210624 [0,0,0,0,0,0|3,0,0]=3 22 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210760 [0,0,0,0,0,0|2,0,0]=2 23 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000210953_100000210380 [0,0,0,0,0,0|2,0,0]=2 24 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100000210432 [0,0,0,0,0,0|2,0,0]=2 25 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210760 [0,0,0,0,0,0|4,0,0]=4 26 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 270004a_100000210953_100000735413 [0,0,0,0,0,0|4,0,0]=4 27 B19R2.13577 CC(C)CNC(c1ccccc1)c2cccnc2 270004a_100011232609_100000210432 [0,0,0,0,0,0|4,0,0]=4 28 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210760 [0,0,0,0,0,0|4,0,0]=4 29 B19R2.13577 CC(C)CNC(c1ccccc1)c2ccncc2 270004a_100025760769_100000210432 [0,0,0,0,0,0|4,0,0]=4 30 B19R2.13577 CC(C)CNC(c1ccccn1)c2ccccn2 270004a_100009954364_100000210432 [0,0,0,0,0,0|3,0,0]=3 31 B19R2.13577 CC(C)CNC(c1cccnc1)c2ccccn2 270004a_100000210953_100011376182 [0,0,0,0,0,0|3,0,0]=3 32 B19R2.13577 CC(C)CNC(c1cccnc1)c2cnccn2 270004a_100000210953_100000732570 [0,0,0,0,0,0|4,0,0]=4 33 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000210624 [0,0,0,0,0,0|3,0,0]=3 34 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000210760 [0,0,0,0,0,0|3,0,0]=3 35 B19R2.13577 CC(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000210760 [0,0,0,0,0,0|2,0,0]=2 36 B19R2.13577 CC(C)CSC(c1ccccc1)c2ccccc2 62a_100000210624_100011216954 [0,0,0,0,0,0|3,0,0]=3 37 B19R2.13577 CC(C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210760 [0,0,0,0,0,0|3,0,0]=3 38 B19R2.13577 CC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210206 [0,0,0,0,0,0|3,0,0]=3 39 B19R2.13577 CC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210206 [0,0,0,0,0,0|3,0,0]=3 40 B19R2.13577 CC(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210206 [0,0,0,0,0,0|3,0,0]=3 41 B19R2.13577 CC(C)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210206 [0,0,0,0,0,0|3,0,0]=3 42 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011218427 [0,0,0,0,0,0|4,0,0]=4 43 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 2230a_100000210904_100000211591 [0,0,0,0,0,0|4,0,0]=4 44 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 270004a_100000210904_100000210122 [0,0,0,0,0,0|4,0,0]=4 45 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011218427 [0,0,0,0,0,0|4,0,0]=4 46 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218427 [0,0,0,0,0,0|3,0,0]=3 47 B19R2.13577 CC(O)CNC(c1ccccc1)c2ccccn2 270004a_100000210904_100000210380 [0,0,0,0,0,0|3,0,0]=3 48 B19R2.13577 CC(O)CNC(c1cccnc1)c2ccccn2 270004a_100000210904_100011376182 [0,0,0,0,0,0|4,0,0]=4 49 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011218427 [0,0,0,0,0,0|4,0,0]=4 50 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100011218427 [0,0,0,0,0,0|4,0,0]=4 51 B19R2.13577 CC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011218427 [0,0,0,0,0,0|3,0,0]=3 52 B19R2.13577 CC(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011218427 [0,0,0,0,0,0|4,0,0]=4 53 B19R2.13577 CC(O)CSC(c1ccccc1)c2ccccc2 62a_100011218427_100011216954 [0,0,0,0,0,0|4,0,0]=4 54 B19R2.13577 CN(C)CC=C(c1ccccc1)c2ccccc2 270004a_100102631434_100000050448 [0,0,0,0,0,0|1,0,2]=3 55 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200000210301 [0,0,0,0,0,0|1,0,0]=1 56 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 2230a_100102631434_100009813428 [0,0,0,0,0,0|1,0,0]=1 57 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200000210301 [0,0,0,0,0,0|1,0,0]=1 58 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 269982a_100102631434_100009813428 [0,0,0,0,0,0|1,0,0]=1 59 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_200000210301 [0,0,0,0,0,0|1,0,0]=1 60 B19R2.13577 CN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100102631434_100010140906 [0,0,0,0,0,0|2,0,0]=2 61 B19R2.13577 CN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100102631434_100010140906 [0,0,0,0,0,0|2,0,0]=2 62 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200025704644 [0,0,0,0,0,0|1,0,0]=1 63 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200025704644 [0,0,0,0,0,0|1,0,0]=1 64 B19R2.13577 CN([13CH3])CCC(c1ccccc1)c2ccccc2 34a_100025726140_200025704644 [0,0,0,0,0,0|1,0,0]=1 65 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009817552 [0,0,0,0,0,0|4,0,0]=4 66 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100009817552 [0,0,0,0,0,0|4,0,0]=4 67 B19R2.13577 C[C@@H](O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009817552 [0,0,0,0,0,0|3,0,0]=3 68 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009817552 [0,0,0,0,0,0|4,0,0]=4 69 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100009817552 [0,0,0,0,0,0|4,0,0]=4 70 B19R2.13577 C[C@@H](O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009817552 [0,0,0,0,0,0|3,0,0]=3 71 B19R2.13577 C[C@@H](O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100009817552 [0,0,0,0,0,0|4,0,0]=4 72 B19R2.13577 C[C@@H](O)CSC(c1ccccc1)c2ccccc2 62a_100009817552_100011216954 [0,0,0,0,0,0|4,0,0]=4 73 B19R2.13577 FC(F)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011934356 [0,0,0,0,0,0|4,0,0]=4 74 B19R2.13577 FC(F)CNC(c1ccccc1)c2ccccn2 270004a_100000765723_100000210380 [0,0,0,0,0,0|4,0,0]=4 75 B19R2.13577 FC(F)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011934356 [0,0,0,0,0,0|4,0,0]=4 76 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000747473 [0,0,0,0,0,0|4,0,0]=4 77 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000187820 [0,0,0,0,0,0|4,0,0]=4 78 B19R2.13577 [13CH3]C(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200025704644 [0,0,0,0,0,0|4,0,0]=4 79 B19R2.13577 [13CH3]C(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B18R2.40 C#CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000038162 [1,0,0,0,0,0|2,0,1]=4 81 B18R2.40 C#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000038162 [1,0,0,0,0,0|2,0,1]=4 82 B18R2.40 C=CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210623 [1,0,0,0,0,0|2,0,1]=4 83 B18R2.40 C=CCNC(c1ccccc1)c2ccccn2 270004a_100020586998_100000210380 [1,0,0,0,0,0|2,0,1]=4 84 B18R2.40 C=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100015514636 [1,0,0,0,0,0|2,0,1]=4 85 B18R2.40 CCCCN(c1ccccc1)c2cccnn2 27a_100000211623_100016991348 [1,0,0,0,0,0|3,0,0]=4 86 B18R2.40 CCCCN(c1ccccc1)c2ccncn2 27a_100000211623_100000703185 [1,0,0,0,0,0|3,0,0]=4 87 B18R2.40 CCCCN(c1ccccc1)c2cnccn2 27a_100000211623_100000211759 [1,0,0,0,0,0|3,0,0]=4 88 B18R2.40 CCCCN(c1ccccc1)c2ncccn2 27a_100000211623_100000211032 [1,0,0,0,0,0|3,0,0]=4 89 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210303 [1,0,0,0,0,0|3,0,0]=4 90 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 270004a_100020643023_100000210122 [1,0,0,0,0,0|3,0,0]=4 91 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210303 [1,0,0,0,0,0|3,0,0]=4 92 B18R2.40 CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210303 [1,0,0,0,0,0|2,0,0]=3 93 B18R2.40 CCCNC(c1ccccc1)c2ccccn2 270004a_100020643023_100000210380 [1,0,0,0,0,0|2,0,0]=3 94 B18R2.40 CCCNC(c1cccnc1)c2ccccn2 270004a_100020643023_100011376182 [1,0,0,0,0,0|3,0,0]=4 95 B18R2.40 CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210303 [1,0,0,0,0,0|3,0,0]=4 96 B18R2.40 CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210303 [1,0,0,0,0,0|3,0,0]=4 97 B18R2.40 CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210303 [1,0,0,0,0,0|2,0,0]=3 98 B18R2.40 CCCSC(c1ccccc1)c2ccccc2 62a_100000210303_100011216954 [1,0,0,0,0,0|3,0,0]=4 99 B18R2.40 CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210303 [1,0,0,0,0,0|3,0,0]=4 100 B18R2.40 CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210202 [1,0,0,0,0,0|3,0,0]=4 101 B18R2.40 CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210202 [1,0,0,0,0,0|3,0,0]=4 102 B18R2.40 CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210202 [1,0,0,0,0,0|3,0,0]=4 103 B18R2.40 CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210202 [1,0,0,0,0,0|3,0,0]=4 104 B18R2.40 CNCC=C(c1ccccc1)c2ccccc2 270004a_106832991635_100000050448 [1,0,0,0,0,0|1,0,2]=4 105 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200000210301 [1,0,0,0,0,0|1,0,0]=2 106 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 2230a_106832991635_100009813428 [1,0,0,0,0,0|1,0,0]=2 107 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_200000210301 [1,0,0,0,0,0|1,0,0]=2 108 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 34a_100102657272_100009813428 [1,0,0,0,0,0|1,0,0]=2 109 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 7a_106832991635_100009813428 [1,0,0,0,0,0|1,0,0]=2 110 B18R2.40 CNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200000210301 [1,0,0,0,0,0|2,0,0]=3 111 B18R2.40 CNCCP(c1ccccc1)c2ccccc2 34a_107094377242_200000210301 [1,0,0,0,0,0|2,0,0]=3 112 B18R2.40 CNCC[S+](c1ccccc1)c2ccccc2 2230a_106832991635_100010140906 [1,0,0,0,0,0|2,0,0]=3 113 B18R2.40 CNCC[S+](c1ccccc1)c2ccccc2 7a_106832991635_100010140906 [1,0,0,0,0,0|2,0,0]=3 114 B18R2.40 COCCC(c1ccccc1)c2ccccc2 34a_100000032380_200000210301 [1,0,0,0,0,0|2,0,0]=3 115 B18R2.40 COCCC(c1ccccc1)c2ccccc2 34a_100138415774_100009813428 [1,0,0,0,0,0|2,0,0]=3 116 B18R2.40 COCCC(c1ccccc1)c2ccccc2 7a_100000032380_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B18R2.40 COCCN(c1ccccc1)c2ccccc2 34a_100010001939_200000210301 [1,0,0,0,0,0|3,0,0]=4 118 B18R2.40 COCCN(c1ccccc1)c2ccccc2 7a_100010001939_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B18R2.40 COCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000766300 [1,0,0,0,0,0|3,0,0]=4 120 B18R2.40 COCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000766300 [1,0,0,0,0,0|2,0,0]=3 121 B18R2.40 COCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000766300 [1,0,0,0,0,0|3,0,0]=4 122 B18R2.40 COCSC(c1ccccc1)c2ccccc2 62a_100000766300_100011216954 [1,0,0,0,0,0|3,0,0]=4 123 B18R2.40 CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_200000210301 [1,0,0,0,0,0|2,0,0]=3 124 B18R2.40 CSCCC(c1ccccc1)c2ccccc2 62a_200000210301_100009813428 [1,0,0,0,0,0|2,0,0]=3 125 B18R2.40 CSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B18R2.40 CSCC[S+](c1ccccc1)c2ccccc2 62a_200000210301_100010140906 [1,0,0,0,0,0|3,0,0]=4 127 B18R2.40 CSCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011218213 [1,0,0,0,0,0|3,0,0]=4 128 B18R2.40 CSCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011218213 [1,0,0,0,0,0|3,0,0]=4 129 B18R2.40 CSCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218213 [1,0,0,0,0,0|2,0,0]=3 130 B18R2.40 CSCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011218213 [1,0,0,0,0,0|3,0,0]=4 131 B18R2.40 CSCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011218213 [1,0,0,0,0,0|3,0,0]=4 132 B18R2.40 CSCSC(c1ccccc1)c2ccccc2 62a_100011218213_100011216954 [1,0,0,0,0,0|3,0,0]=4 133 B18R2.40 FCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011217306 [1,0,0,0,0,0|3,0,0]=4 134 B18R2.40 FCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011217306 [1,0,0,0,0,0|3,0,0]=4 135 B18R2.40 N#CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011215382 [1,0,0,0,0,0|3,0,0]=4 136 B18R2.40 N#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215382 [1,0,0,0,0,0|3,0,0]=4 137 B18R2.40 O=CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_200015260668 [1,0,0,0,0,0|3,0,0]=4 138 B18R2.40 O=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_200015260668 [1,0,0,0,0,0|3,0,0]=4 139 B18R2.40 OCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000211926 [1,0,0,0,0,0|3,0,0]=4 140 B18R2.40 OCCNC(c1ccccc1)c2ccccn2 270004a_100000210304_100000210380 [1,0,0,0,0,0|3,0,0]=4 141 B18R2.40 OCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000211926 [1,0,0,0,0,0|3,0,0]=4 142 B18R2.40 [13CH3]NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_200025704644 [1,0,0,0,0,0|1,0,0]=2 143 B18R2.40 [13CH3]NCCC(c1ccccc1)c2ccccc2 34a_100000272388_200025704644 [1,0,0,0,0,0|1,0,0]=2 144 B18R2.40 [13CH3]NCCP(c1ccccc1)c2ccccc2 2230a_107094377242_200025704644 [1,0,0,0,0,0|2,0,0]=3 145 B18R2.40 [13CH3]NCCP(c1ccccc1)c2ccccc2 34a_107094377242_200025704644 [1,0,0,0,0,0|2,0,0]=3 146 B18R2.40 [13CH3]OCCC(c1ccccc1)c2ccccc2 34a_100000032380_200025704644 [1,0,0,0,0,0|2,0,0]=3 147 B18R2.40 [13CH3]OCCC(c1ccccc1)c2ccccc2 7a_100000032380_200025704644 [1,0,0,0,0,0|2,0,0]=3 148 B18R2.40 [13CH3]OCCN(c1ccccc1)c2ccccc2 34a_100010001939_200025704644 [1,0,0,0,0,0|3,0,0]=4 149 B18R2.40 [13CH3]OCCN(c1ccccc1)c2ccccc2 7a_100010001939_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B18R2.40 [13CH3]SCCC(c1ccccc1)c2ccccc2 62a_100009813428_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B18R2.40 [13CH3]SCCC(c1ccccc1)c2ccccc2 62a_200025704644_100009813428 [1,0,0,0,0,0|2,0,0]=3 152 B18R2.40 [13CH3]SCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_200025704644 [1,0,0,0,0,0|3,0,0]=4 153 B18R2.40 [13CH3]SCC[S+](c1ccccc1)c2ccccc2 62a_200025704644_100010140906 [1,0,0,0,0,0|3,0,0]=4 154 B20R2.18148 CC(CO)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100012180447 [0,1,0,0,0,0|3,0,0]=4 155 B20R2.18148 CC(CO)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100012180447 [0,1,0,0,0,0|3,0,0]=4 156 B20R2.18148 CC(CO)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100012180447 [0,1,0,0,0,0|3,0,0]=4 157 B20R2.18148 CC(CO)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100012180447 [0,1,0,0,0,0|3,0,0]=4 158 B20R2.18148 CCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000210414_100009813428 [0,1,0,0,0,0|3,0,0]=4 159 B20R2.18148 CCC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000747405 [0,1,0,0,0,0|3,0,0]=4 160 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000748023 [0,1,0,0,0,0|3,0,0]=4 161 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 2230a_100020588543_100000211591 [0,1,0,0,0,0|3,0,0]=4 162 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100000243153 [0,1,0,0,0,0|3,0,0]=4 163 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 270004a_100020588543_100000210122 [0,1,0,0,0,0|3,0,0]=4 164 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000748023 [0,1,0,0,0,0|3,0,0]=4 165 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000748023 [0,1,0,0,0,0|2,0,0]=3 166 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100000243153 [0,1,0,0,0,0|2,0,0]=3 167 B20R2.18148 CCC(C)CNC(c1ccccc1)c2ccccn2 270004a_100020588543_100000210380 [0,1,0,0,0,0|2,0,0]=3 168 B20R2.18148 CCC(C)CNC(c1ccccn1)c2ccccn2 270004a_100009954364_100000243153 [0,1,0,0,0,0|3,0,0]=4 169 B20R2.18148 CCC(C)CNC(c1cccnc1)c2ccccn2 270004a_100020588543_100011376182 [0,1,0,0,0,0|3,0,0]=4 170 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000748023 [0,1,0,0,0,0|3,0,0]=4 171 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000748023 [0,1,0,0,0,0|3,0,0]=4 172 B20R2.18148 CCC(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000748023 [0,1,0,0,0,0|2,0,0]=3 173 B20R2.18148 CCC(C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000748023 [0,1,0,0,0,0|3,0,0]=4 174 B20R2.18148 CCC(C)CSC(c1ccccc1)c2ccccc2 62a_100000748023_100011216954 [0,1,0,0,0,0|3,0,0]=4 175 B20R2.18148 CCC(C)NCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000758301 [0,1,0,0,0,0|3,0,0]=4 176 B20R2.18148 CCC(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100011215416 [0,1,0,0,0,0|3,0,0]=4 177 B20R2.18148 CCC(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100011215416 [0,1,0,0,0,0|3,0,0]=4 178 B20R2.18148 CCC(C)OCC(c1ccccc1)c2ccccc2 7a_100011215272_100000758301 [0,1,0,0,0,0|3,0,0]=4 179 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011218378 [0,1,0,0,0,0|3,0,0]=4 180 B20R2.18148 CCC(O)CNC(c1ccccc1)c2ccccn2 270004a_100011218483_100000210380 [0,1,0,0,0,0|3,0,0]=4 181 B20R2.18148 CCC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011218378 [0,1,0,0,0,0|3,0,0]=4 182 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000225621_100009813428 [0,1,0,0,0,0|1,0,0]=2 183 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210202 [0,1,0,0,0,0|1,0,0]=2 184 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000225621_100009813428 [0,1,0,0,0,0|1,0,0]=2 185 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000204670 [0,1,0,0,0,0|1,0,0]=2 186 B20R2.18148 CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210202 [0,1,0,0,0,0|1,0,0]=2 187 B20R2.18148 CCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000225621_100010140906 [0,1,0,0,0,0|2,0,0]=3 188 B20R2.18148 CCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000225621_100010140906 [0,1,0,0,0,0|2,0,0]=3 189 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009816398 [0,1,0,0,0,0|3,0,0]=4 190 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100009816398 [0,1,0,0,0,0|3,0,0]=4 191 B20R2.18148 CC[C@H](C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009816398 [0,1,0,0,0,0|2,0,0]=3 192 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009816398 [0,1,0,0,0,0|3,0,0]=4 193 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100009816398 [0,1,0,0,0,0|3,0,0]=4 194 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccc2 7a_100009816381_100011216954 [0,1,0,0,0,0|3,0,0]=4 195 B20R2.18148 CC[C@H](C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009816398 [0,1,0,0,0,0|2,0,0]=3 196 B20R2.18148 CC[C@H](C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100009816398 [0,1,0,0,0,0|3,0,0]=4 197 B20R2.18148 CC[C@H](C)CSC(c1ccccc1)c2ccccc2 62a_100009816398_100011216954 [0,1,0,0,0,0|3,0,0]=4 198 B20R2.18148 CN(CF)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100015361967 [0,1,0,0,0,0|1,0,0]=2 199 B20R2.18148 CN(CF)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100015361967 [0,1,0,0,0,0|1,0,0]=2 200 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000183359 [0,1,0,0,0,0|3,0,0]=4 201 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccn2 270004a_100000693194_100000210380 [0,1,0,0,0,0|3,0,0]=4 202 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000183359 [0,1,0,0,0,0|3,0,0]=4 203 B20R2.18148 COC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000747449 [0,1,0,0,0,0|3,0,0]=4 204 B20R2.18148 COC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000747449 [0,1,0,0,0,0|3,0,0]=4 205 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccc2 2230a_100020591295_100000211591 [0,1,0,0,0,0|3,0,0]=4 206 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccc2 270004a_100020591295_100000210122 [0,1,0,0,0,0|3,0,0]=4 207 B20R2.18148 CO[C@H](C)CNC(c1ccccc1)c2ccccn2 270004a_100020591295_100000210380 [0,1,0,0,0,0|2,0,0]=3 208 B20R2.18148 CO[C@H](C)CNC(c1cccnc1)c2ccccn2 270004a_100020591295_100011376182 [0,1,0,0,0,0|3,0,0]=4 209 B20R2.18148 C[C@@H](CO)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000059175 [0,1,0,0,0,0|3,0,0]=4 210 B20R2.18148 C[C@@H](CO)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000059175 [0,1,0,0,0,0|3,0,0]=4 211 B20R2.18148 C[C@@H](CO)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000059175 [0,1,0,0,0,0|2,0,0]=3 212 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000059175 [0,1,0,0,0,0|3,0,0]=4 213 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000059175 [0,1,0,0,0,0|3,0,0]=4 214 B20R2.18148 C[C@@H](CO)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000059175 [0,1,0,0,0,0|2,0,0]=3 215 B20R2.18148 C[C@@H](CO)CSC(c1ccccc1)c2ccccc2 62a_100000059175_100011216954 [0,1,0,0,0,0|3,0,0]=4 216 B20R2.18148 C[C@@H](CO)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000059175 [0,1,0,0,0,0|3,0,0]=4 217 B20R2.18148 O=C(CO)CCC(c1ccccc1)c2ccccc2 1458a_100000210174_100009813428 [0,1,0,0,0,0|3,0,0]=4 218 B20R2.18148 OCC(O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011219619 [0,1,0,0,0,0|3,0,0]=4 219 B20R2.18148 OCC(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011219619 [0,1,0,0,0,0|3,0,0]=4 220 B20R2.18148 OC[C@H](F)CNC(c1ccccc1)c2ccccn2 270004a_100015665980_100000210380 [0,1,0,0,0,0|3,0,0]=4 221 B20R2.18148 OC[C@H](O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100009815848 [0,1,0,0,0,0|3,0,0]=4 222 B20R2.18148 OC[C@H](O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009815848 [0,1,0,0,0,0|3,0,0]=4 223 B20R2.18148 O[C@@H](CF)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100015614560 [0,1,0,0,0,0|3,0,0]=4 224 B20R2.18148 O[C@@H](CF)COC(c1ccccc1)c2ccccn2 7a_100000180852_100015614560 [0,1,0,0,0,0|3,0,0]=4 225 B20R2.29400 C=C(C)C(C)NC(c1ccccc1)c2ccccn2 269862a_100000689936_100011216138 [0,1,0,0,0,0|2,0,1]=4 226 B20R2.29400 CC(=O)C(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100009814033 [0,1,0,0,0,0|3,0,0]=4 227 B20R2.29400 CC(=O)C(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000179758 [0,1,0,0,0,0|3,0,0]=4 228 B20R2.29400 CC(C)C(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000210206 [0,1,0,0,0,0|2,0,1]=4 229 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)c2ccccn2 11a_100000689936_100000210198 [0,1,0,0,0,0|2,0,1]=4 230 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)c2ccccn2 1626a_100000689936_100000210198 [0,1,0,0,0,0|2,0,1]=4 231 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)c2ccccn2 240690a_100000689936_100000210198 [0,1,0,0,0,0|2,0,1]=4 232 B20R2.29400 CC(C)C(=O)NC(c1ccccc1)c2ccccn2 527a_100000689936_100000210198 [0,1,0,0,0,0|2,0,1]=4 233 B20R2.29400 CC(C)C(C)NC(c1ccccc1)c2ccccc2 2230a_100000211541_100000211591 [0,1,0,0,0,0|3,0,0]=4 234 B20R2.29400 CC(C)C(C)NC(c1ccccc1)c2ccccc2 270004a_100000211541_100000210122 [0,1,0,0,0,0|3,0,0]=4 235 B20R2.29400 CC(C)C(C)NC(c1ccccc1)c2ccccn2 270004a_100000211541_100000210380 [0,1,0,0,0,0|2,0,0]=3 236 B20R2.29400 CC(C)C(C)NC(c1cccnc1)c2ccccn2 270004a_100000211541_100011376182 [0,1,0,0,0,0|3,0,0]=4 237 B20R2.29400 CC(C)C(C)OC(c1ccccc1)c2ccccc2 7a_100000748068_100011216954 [0,1,0,0,0,0|3,0,0]=4 238 B20R2.29400 CC(CC(c1ccccc1)c2ccccc2)N(C)C 270004a_100102631434_200000011111 [0,1,0,0,0,0|1,0,0]=2 239 B20R2.29400 CN(C)C(=O)CC(c1ccccc1)c2ccccc2 11a_100102631434_100000499737 [0,1,0,0,0,0|1,0,1]=3 240 B20R2.29400 CN(C)C(=O)CC(c1ccccc1)c2ccccc2 1626a_100102631434_100000499737 [0,1,0,0,0,0|1,0,1]=3 241 B20R2.29400 CN(C)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100102631434_100000499737 [0,1,0,0,0,0|1,0,1]=3 242 B20R2.29400 CN(C)C(=O)CC(c1ccccc1)c2ccccc2 527a_100102631434_100000499737 [0,1,0,0,0,0|1,0,1]=3 243 B20R2.29400 CN(C)C(=O)CP(c1ccccc1)c2ccccc2 11a_100102631434_200020607205 [0,1,0,0,0,0|2,0,1]=4 244 B20R2.29400 CN(C)C(=O)CP(c1ccccc1)c2ccccc2 1626a_100102631434_200020607205 [0,1,0,0,0,0|2,0,1]=4 245 B20R2.29400 CN(C)C(=O)CP(c1ccccc1)c2ccccc2 240690a_100102631434_200020607205 [0,1,0,0,0,0|2,0,1]=4 246 B20R2.29400 CN(C)C(=O)CP(c1ccccc1)c2ccccc2 527a_100102631434_200020607205 [0,1,0,0,0,0|2,0,1]=4 247 B20R2.72040 CC(C)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000210953_100000688346 [0,1,0,0,0,0|2,0,0]=3 248 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000210760 [0,1,0,0,0,0|3,0,0]=4 249 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Br 270004a_100000210953_100011267660 [0,1,0,0,0,0|3,0,0]=4 250 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Br 270004a_100011212009_100000210432 [0,1,0,0,0,0|3,0,0]=4 251 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000210624 [0,1,0,0,0,0|3,0,0]=4 252 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000210760 [0,1,0,0,0,0|3,0,0]=4 253 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000210953_100011215489 [0,1,0,0,0,0|3,0,0]=4 254 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000741085_100000210432 [0,1,0,0,0,0|3,0,0]=4 255 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000210624 [0,1,0,0,0,0|3,0,0]=4 256 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000210760 [0,1,0,0,0,0|3,0,0]=4 257 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)F 270004a_100000210953_200011219850 [0,1,0,0,0,0|3,0,0]=4 258 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)F 270004a_100000686443_100000210432 [0,1,0,0,0,0|3,0,0]=4 259 B20R2.72040 CC(C)CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000210624 [0,1,0,0,0,0|3,0,0]=4 260 B20R2.72040 CC(C)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000210624 [0,1,0,0,0,0|3,0,0]=4 261 B20R2.72040 CC(C)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000210760 [0,1,0,0,0,0|3,0,0]=4 262 B20R2.72040 CC(C)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000210624 [0,1,0,0,0,0|3,0,0]=4 263 B20R2.72040 CC(C)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000210760 [0,1,0,0,0,0|3,0,0]=4 264 B20R2.72040 CC(O)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000210904_100000688346 [0,1,0,0,0,0|3,0,0]=4 265 B20R2.72040 Cc1cccc(c1)C(NCC(C)C)c2ccccc2 270004a_100000210953_100011217825 [0,1,0,0,0,0|3,0,0]=4 266 B20R2.77823 C=C(C)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000748629 [0,1,0,0,0,0|2,0,1]=4 267 B20R2.77823 CC(C)COC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000210760 [0,1,0,0,0,0|3,0,0]=4 268 B20R2.77823 CC(C)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210760 [0,1,0,0,0,0|2,0,0]=3 269 B20R2.77823 CC(C)NCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100000210206 [0,1,0,0,0,0|3,0,0]=4 270 B20R2.77823 CC(O)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100011218427 [0,1,0,0,0,0|3,0,0]=4 271 B20R2.77823 C[C@@H](O)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100009817552 [0,1,0,0,0,0|3,0,0]=4 272 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000210760 [0,1,0,0,0,0|3,0,0]=4 273 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Br 270004a_100000210953_100000198044 [0,1,0,0,0,0|3,0,0]=4 274 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Br 270004a_100011211563_100000210432 [0,1,0,0,0,0|3,0,0]=4 275 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000210624 [0,1,0,0,0,0|3,0,0]=4 276 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2Cl 270004a_100000210953_100011215288 [0,1,0,0,0,0|3,0,0]=4 277 B20R2.140971 CC(C)CNC(c1ccccc1)c2ccccc2F 270004a_100000210953_100011217773 [0,1,0,0,0,0|3,0,0]=4 278 B20R2.140971 CC(C)CNC(c1ccccn1)c2ccccc2Cl 270004a_100000210953_100011400554 [0,1,0,0,0,0|2,0,0]=3 279 B20R2.140971 CC(C)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000210624 [0,1,0,0,0,0|3,0,0]=4 280 B20R2.140971 CC(C)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000210760 [0,1,0,0,0,0|3,0,0]=4 281 B20R2.140971 CC(C)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100000210624 [0,1,0,0,0,0|3,0,0]=4 282 B20R2.140971 CC(C)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000210760 [0,1,0,0,0,0|3,0,0]=4 283 B20R2.140971 CC(O)CNC(c1ccccn1)c2ccccc2Cl 270004a_100000210904_100011400554 [0,1,0,0,0,0|3,0,0]=4 284 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 2230a_100000210953_100000230135 [0,1,0,0,0,0|3,0,0]=4 285 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 2230a_100000222801_100000210760 [0,1,0,0,0,0|3,0,0]=4 286 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 270004a_100000210953_100000735561 [0,1,0,0,0,0|3,0,0]=4 287 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 270004a_100000222801_100000210432 [0,1,0,0,0,0|3,0,0]=4 288 B20R2.140971 Cc1ccccc1C(NCC(C)C)c2ccccc2 34a_100000222801_100000210624 [0,1,0,0,0,0|3,0,0]=4 289 B20R2.140971 Cc1ccccc1C(OCC(C)C)c2ccccc2 34a_100000212071_100000210624 [0,1,0,0,0,0|3,0,0]=4 290 B20R2.140971 Cc1ccccc1C(OCC(C)C)c2ccccc2 7a_100000212071_100000210760 [0,1,0,0,0,0|3,0,0]=4 291 B20R2.140971 Cc1ccccc1C(SCC(C)C)c2ccccc2 62a_100000210624_100000230135 [0,1,0,0,0,0|3,0,0]=4 292 B20R2.140971 Cc1ccccc1C(SCC(C)C)c2ccccc2 62a_100000230135_100000210760 [0,1,0,0,0,0|3,0,0]=4 293 B20R2.174637 C=C(C)CN(C)C(c1ccccc1)c2ccccn2 270004a_100000225649_100000210380 [0,1,0,0,0,0|2,0,1]=4 294 B20R2.174637 CC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210554_100011216954 [0,1,0,0,0,0|2,0,1]=4 295 B20R2.174637 CC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210624 [0,1,0,0,0,0|2,0,1]=4 296 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100000747067_100000211591 [0,1,0,0,0,0|3,0,0]=4 297 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210760 [0,1,0,0,0,0|3,0,0]=4 298 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100000747067_100000211591 [0,1,0,0,0,0|3,0,0]=4 299 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210624 [0,1,0,0,0,0|3,0,0]=4 300 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 270004a_100000747067_100000210122 [0,1,0,0,0,0|3,0,0]=4 301 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccc2 270004a_100103148541_100000210432 [0,1,0,0,0,0|3,0,0]=4 302 B20R2.174637 CC(C)CN(C)C(c1ccccc1)c2ccccn2 270004a_100000747067_100000210380 [0,1,0,0,0,0|2,0,0]=3 303 B20R2.174637 CC(C)CN(C)C(c1cccnc1)c2ccccn2 270004a_100000747067_100011376182 [0,1,0,0,0,0|3,0,0]=4 304 B20R2.174637 CC(O)CN(C)C(c1ccccc1)c2ccccn2 270004a_100000227577_100000210380 [0,1,0,0,0,0|3,0,0]=4 305 B20R2.174637 CN(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000750896_100011216954 [0,1,0,0,0,0|1,0,1]=3 306 B20R2.174637 CN(C)CC(=O)N(c1ccccc1)c2ccccc2 2230a_100102631434_200015198546 [0,1,0,0,0,0|2,0,1]=4 307 B20R2.174637 CN(C)CC(=O)N(c1ccccc1)c2ccccc2 269982a_100102631434_200015198546 [0,1,0,0,0,0|2,0,1]=4 308 B20R2.174637 C[S+](C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_200159257847_100011216954 [0,1,0,0,0,0|2,0,1]=4 309 B20R2.240825 C=C(C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000748629 [0,1,0,0,0,0|2,0,1]=4 310 B20R2.240825 C=C(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000748629_200010188304 [0,1,0,0,0,0|2,0,1]=4 311 B20R2.240825 C=C(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000211660 [0,1,0,0,0,0|2,0,1]=4 312 B20R2.240825 CC(C)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000210953_200010179208 [0,1,0,0,0,0|2,0,0]=3 313 B20R2.240825 CC(C)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000210953_200010188304 [0,1,0,0,0,0|2,0,0]=3 314 B20R2.240825 CC(C)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000210953_100000753647 [0,1,0,0,0,0|2,0,0]=3 315 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000210760 [0,1,0,0,0,0|3,0,0]=4 316 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000210953_100000718703 [0,1,0,0,0,0|3,0,0]=4 317 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000745999_100000210432 [0,1,0,0,0,0|3,0,0]=4 318 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000210624 [0,1,0,0,0,0|3,0,0]=4 319 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000210953_100000211669 [0,1,0,0,0,0|3,0,0]=4 320 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000210760 [0,1,0,0,0,0|3,0,0]=4 321 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000210953_100000211064 [0,1,0,0,0,0|3,0,0]=4 322 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000737946_100000210432 [0,1,0,0,0,0|3,0,0]=4 323 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000210624 [0,1,0,0,0,0|3,0,0]=4 324 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000210760 [0,1,0,0,0,0|3,0,0]=4 325 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100000210953_100000210425 [0,1,0,0,0,0|3,0,0]=4 326 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)F 270004a_100000737529_100000210432 [0,1,0,0,0,0|3,0,0]=4 327 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000210624 [0,1,0,0,0,0|3,0,0]=4 328 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)O 270004a_100000198503_100000210432 [0,1,0,0,0,0|3,0,0]=4 329 B20R2.240825 CC(C)CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000210624 [0,1,0,0,0,0|3,0,0]=4 330 B20R2.240825 CC(C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210624 [0,1,0,0,0,0|2,0,0]=3 331 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000210624 [0,1,0,0,0,0|3,0,0]=4 332 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000210760 [0,1,0,0,0,0|3,0,0]=4 333 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000210624 [0,1,0,0,0,0|3,0,0]=4 334 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000210760 [0,1,0,0,0,0|3,0,0]=4 335 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000210624 [0,1,0,0,0,0|3,0,0]=4 336 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000210760 [0,1,0,0,0,0|3,0,0]=4 337 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000210624 [0,1,0,0,0,0|3,0,0]=4 338 B20R2.240825 CC(C)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000210760 [0,1,0,0,0,0|3,0,0]=4 339 B20R2.240825 CC(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000210624_200010188304 [0,1,0,0,0,0|2,0,0]=3 340 B20R2.240825 CC(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000210760 [0,1,0,0,0,0|2,0,0]=3 341 B20R2.240825 CC(C)CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000210624_100000211669 [0,1,0,0,0,0|3,0,0]=4 342 B20R2.240825 CC(C)CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000210760 [0,1,0,0,0,0|3,0,0]=4 343 B20R2.240825 CC(O)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000210904_200010179208 [0,1,0,0,0,0|3,0,0]=4 344 B20R2.240825 CC(O)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000210904_200010188304 [0,1,0,0,0,0|3,0,0]=4 345 B20R2.240825 CC(O)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000210904_100000753647 [0,1,0,0,0,0|3,0,0]=4 346 B20R2.240825 CC(O)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011218427 [0,1,0,0,0,0|3,0,0]=4 347 B20R2.240825 CC(O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100011218427_200010188304 [0,1,0,0,0,0|3,0,0]=4 348 B20R2.240825 CC(O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100011218427 [0,1,0,0,0,0|3,0,0]=4 349 B20R2.240825 C[C@@H](O)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100009817552 [0,1,0,0,0,0|3,0,0]=4 350 B20R2.240825 C[C@@H](O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100009817552_200010188304 [0,1,0,0,0,0|3,0,0]=4 351 B20R2.240825 C[C@@H](O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100009817552 [0,1,0,0,0,0|3,0,0]=4 352 B20R2.240825 Cc1ccc(cc1)C(NCC(C)C)c2ccccc2 2230a_100000736602_100000210760 [0,1,0,0,0,0|3,0,0]=4 353 B20R2.240825 Cc1ccc(cc1)C(NCC(C)C)c2ccccc2 270004a_100000210953_100000210966 [0,1,0,0,0,0|3,0,0]=4 354 B20R2.240825 Cc1ccc(cc1)C(NCC(C)C)c2ccccc2 270004a_100000736602_100000210432 [0,1,0,0,0,0|3,0,0]=4 355 B20R2.240825 Cc1ccc(cc1)C(NCC(C)C)c2ccccc2 34a_100000736602_100000210624 [0,1,0,0,0,0|3,0,0]=4 356 B20R2.240825 Cc1ccc(cc1)C(OCC(C)C)c2ccccc2 34a_100000212064_100000210624 [0,1,0,0,0,0|3,0,0]=4 357 B20R2.240825 Cc1ccc(cc1)C(OCC(C)C)c2ccccc2 7a_100000212064_100000210760 [0,1,0,0,0,0|3,0,0]=4 358 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccc2 2230a_100000743828_100000211591 [0,1,0,0,0,0|3,0,0]=4 359 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccc2 270004a_100000162943_100011204126 [0,1,0,0,0,0|3,0,0]=4 360 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccc2 270004a_100000743828_100000210122 [0,1,0,0,0,0|3,0,0]=4 361 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011219605 [0,1,0,0,0,0|3,0,0]=4 362 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100011204126 [0,1,0,0,0,0|2,0,0]=3 363 B20R2.2714554 CC(C)(C)CNC(c1ccccc1)c2ccccn2 270004a_100000743828_100000210380 [0,1,0,0,0,0|2,0,0]=3 364 B20R2.2714554 CC(C)(C)CNC(c1ccccn1)c2ccccn2 270004a_100009954364_100011204126 [0,1,0,0,0,0|3,0,0]=4 365 B20R2.2714554 CC(C)(C)CNC(c1cccnc1)c2ccccn2 270004a_100000743828_100011376182 [0,1,0,0,0,0|3,0,0]=4 366 B20R2.2714554 CC(C)(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011219605 [0,1,0,0,0,0|3,0,0]=4 367 B20R2.2714554 CC(C)(C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011219605 [0,1,0,0,0,0|3,0,0]=4 368 B20R2.2714554 CC(C)(C)CSC(c1ccccc1)c2ccccc2 62a_100011219605_100011216954 [0,1,0,0,0,0|3,0,0]=4 369 B20R2.2714554 CC(C)(C)NCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210625 [0,1,0,0,0,0|3,0,0]=4 370 B20R2.2714554 CC(C)(C)OCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210625 [0,1,0,0,0,0|3,0,0]=4 371 B20R2.2714554 CC(C)(F)CNC(c1ccccc1)c2ccccc2 2230a_100020643315_100000211591 [0,1,0,0,0,0|3,0,0]=4 372 B20R2.2714554 CC(C)(F)CNC(c1ccccc1)c2ccccc2 270004a_100020643315_100000210122 [0,1,0,0,0,0|3,0,0]=4 373 B20R2.2714554 CC(C)(F)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100011997219 [0,1,0,0,0,0|3,0,0]=4 374 B20R2.2714554 CC(C)(F)CNC(c1ccccc1)c2ccccn2 270004a_100020643315_100000210380 [0,1,0,0,0,0|2,0,0]=3 375 B20R2.2714554 CC(C)(F)CNC(c1cccnc1)c2ccccn2 270004a_100020643315_100011376182 [0,1,0,0,0,0|3,0,0]=4 376 B20R2.2714554 CC(C)(F)COC(c1ccccc1)c2ccccc2 34a_100000211180_100011997219 [0,1,0,0,0,0|3,0,0]=4 377 B20R2.2714554 CC(C)(F)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100011997219 [0,1,0,0,0,0|3,0,0]=4 378 B20R2.2714554 CC(C)(F)CSC(c1ccccc1)c2ccccc2 62a_100011997219_100011216954 [0,1,0,0,0,0|3,0,0]=4 379 B20R2.2714554 CC(C)(O)CNC(c1ccccc1)c2ccccc2 2230a_100000751335_100000211591 [0,1,0,0,0,0|3,0,0]=4 380 B20R2.2714554 CC(C)(O)CNC(c1ccccc1)c2ccccc2 270004a_100000751335_100000210122 [0,1,0,0,0,0|3,0,0]=4 381 B20R2.2714554 CC(C)(O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000764493 [0,1,0,0,0,0|3,0,0]=4 382 B20R2.2714554 CC(C)(O)CNC(c1ccccc1)c2ccccn2 270004a_100000751335_100000210380 [0,1,0,0,0,0|2,0,0]=3 383 B20R2.2714554 CC(C)(O)CNC(c1cccnc1)c2ccccn2 270004a_100000751335_100011376182 [0,1,0,0,0,0|3,0,0]=4 384 B20R2.2714554 CC(C)(O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000764493 [0,1,0,0,0,0|3,0,0]=4 385 B20R2.2714554 CC(C)(O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000764493 [0,1,0,0,0,0|3,0,0]=4 386 B20R2.2714554 CC(C)(O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000764493 [0,1,0,0,0,0|2,0,0]=3 387 B20R2.2714554 CC(C)(O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000764493 [0,1,0,0,0,0|3,0,0]=4 388 B20R2.2714554 CC(C)(O)CSC(c1ccccc1)c2ccccc2 62a_100000764493_100011216954 [0,1,0,0,0,0|3,0,0]=4 389 B20R2.2714554 CC(F)(F)CNC(c1ccccc1)c2ccccn2 270004a_100000731000_100000210380 [0,1,0,0,0,0|3,0,0]=4 390 B20R2.2714554 C[N+](C)(C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_200000036245 [0,1,0,0,0,0|2,0,1]=4 391 B20R2.2714554 C[N+](C)(C)CSC(c1ccccc1)c2ccccc2 62a_200000036245_100011216954 [0,1,0,0,0,0|2,0,1]=4 392 B20R2.2714554 C[Si](C)(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000037933 [0,1,0,0,0,0|3,0,0]=4 393 B20R2.2714554 C[Si](C)(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000037933 [0,1,0,0,0,0|2,0,0]=3 394 B20R2.2714554 C[Si](C)(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000233785 [0,1,0,0,0,0|3,0,0]=4 395 B20R2.2714554 C[Si](C)(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000233785 [0,1,0,0,0,0|2,0,0]=3 396 B20R2.2714554 C[Si](C)(C)CSC(c1ccccc1)c2ccccc2 62a_100000037933_100011216954 [0,1,0,0,0,0|3,0,0]=4 397 B20R2.2714554 C[Si](C)(C)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000037933 [0,1,0,0,0,0|3,0,0]=4 398 B18R1.36714 C=CC=CC(=O)N(CCN(C)C)c1ccccc1 1626a_200000219566_100016291481 [0,0,1,0,0,0|2,0,0]=3 399 B18R1.36714 C=CC=CC(=O)N(CCN(C)C)c1ccccc1 22a_200000219566_100016291481 [0,0,1,0,0,0|2,0,0]=3 400 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccc3 2230a_100000702820_100000211591 [0,0,0,1,0,0|3,0,0]=4 401 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccc3 269982a_100000702820_100000211591 [0,0,0,1,0,0|3,0,0]=4 402 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccc3 270004a_100000702820_100000210122 [0,0,0,1,0,0|3,0,0]=4 403 B20R3.8612 CC1CN(C1)C(c2ccccc2)c3ccccn3 270004a_100000702820_100000210380 [0,0,0,1,0,0|2,0,0]=3 404 B20R3.8612 CC1CN(C1)C(c2cccnc2)c3ccccn3 270004a_100000702820_100011376182 [0,0,0,1,0,0|3,0,0]=4 405 B20R3.8612 FC1CN(C1)C(c2ccccc2)c3ccccn3 270004a_100000690557_100000210380 [0,0,0,1,0,0|3,0,0]=4 406 B20R3.30135 c1ccc(cc1)C(CNC2CC2)c3ccccc3 34a_100000739227_100000211595 [0,0,0,1,0,0|3,0,0]=4 407 B20R3.30135 c1ccc(cc1)C(COC2CC2)c3ccccc3 34a_100011215272_100000211595 [0,0,0,1,0,0|3,0,0]=4 408 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000162943_100000742324 [0,0,0,1,0,0|3,0,0]=4 409 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 2230a_100000735609_100000211591 [0,0,0,1,0,0|3,0,0]=4 410 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 269862a_100000162943_100000741477 [0,0,0,1,0,0|3,0,0]=4 411 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 270004a_100000735609_100000210122 [0,0,0,1,0,0|3,0,0]=4 412 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccc3 34a_100000162943_100000742324 [0,0,0,1,0,0|3,0,0]=4 413 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 2230a_100000689936_100000742324 [0,0,0,1,0,0|2,0,0]=3 414 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 269862a_100000689936_100000741477 [0,0,0,1,0,0|2,0,0]=3 415 B20R3.30135 c1ccc(cc1)C(NCC2CC2)c3ccccn3 270004a_100000735609_100000210380 [0,0,0,1,0,0|2,0,0]=3 416 B20R3.30135 c1ccc(cc1)C(NCC2CO2)c3ccccn3 2230a_100000689936_100011216344 [0,0,0,1,0,0|3,0,0]=4 417 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccc3 34a_100000211180_100000742324 [0,0,0,1,0,0|3,0,0]=4 418 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccc3 7a_100000211180_100000742324 [0,0,0,1,0,0|3,0,0]=4 419 B20R3.30135 c1ccc(cc1)C(OCC2CC2)c3ccccn3 7a_100000180852_100000742324 [0,0,0,1,0,0|2,0,0]=3 420 B20R3.30135 c1ccc(cc1)C(OCC2CO2)c3ccccn3 7a_100000180852_102125554688 [0,0,0,1,0,0|3,0,0]=4 421 B20R3.30135 c1ccc(cc1)C(OCC2CS2)c3ccccn3 7a_100000180852_100000031435 [0,0,0,1,0,0|3,0,0]=4 422 B20R3.30135 c1ccc(cc1)C(OC[C@@H]2CO2)c3ccccn3 7a_100000180852_100000745022 [0,0,0,1,0,0|3,0,0]=4 423 B20R3.30135 c1ccc(cc1)C(SCC2CC2)c3ccccc3 62a_100000211591_100000742324 [0,0,0,1,0,0|3,0,0]=4 424 B20R3.30135 c1ccc(cc1)C(SCC2CC2)c3ccccc3 62a_100000756562_100011216954 [0,0,0,1,0,0|3,0,0]=4 425 B20R3.30135 c1ccc(nc1)C(NCC2CC2)c3ccccn3 269862a_100009954364_100000741477 [0,0,0,1,0,0|3,0,0]=4 426 B20R3.30135 c1ccc(nc1)C(NCC2CC2)c3cccnc3 270004a_100000735609_100011376182 [0,0,0,1,0,0|3,0,0]=4 427 B20R3.651490 CC(C)CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210760 [0,0,0,1,0,0|3,0,0]=4 428 B20R3.651490 CC(C)CNC1c2ccccc2-c3c1cccc3 2230a_100000210953_100000211598 [0,0,0,1,0,0|3,0,0]=4 429 B20R3.651490 CC(C)CNC1c2ccccc2-c3c1cccc3 270004a_100000104097_100000210432 [0,0,0,1,0,0|3,0,0]=4 430 B20R3.651490 CC(C)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210760 [0,0,0,1,0,0|3,0,0]=4 431 B20R3.651490 CC(C)CSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000210760 [0,0,0,1,0,0|3,0,0]=4 432 B20R3.651490 CC(C)NCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210206 [0,0,0,1,0,0|3,0,0]=4 433 B20R3.651490 CC(C)NCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210206 [0,0,0,1,0,0|3,0,0]=4 434 B20R3.651490 CC(C)OCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210206 [0,0,0,1,0,0|3,0,0]=4 435 B20R3.651490 CC(C)OCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210206 [0,0,0,1,0,0|3,0,0]=4 436 B18R2.7184 CC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_200000210301 [0,0,0,0,1,0|3,0,0]=4 437 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccn2 11a_100000689936_100015343762 [0,0,0,0,1,0|3,0,0]=4 438 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccn2 1626a_100000689936_100015343762 [0,0,0,0,1,0|3,0,0]=4 439 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccn2 240690a_100000689936_100015343762 [0,0,0,0,1,0|3,0,0]=4 440 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccn2 527a_100000689936_100103153847 [0,0,0,0,1,0|3,0,0]=4 441 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210206 [0,0,0,0,1,0|3,0,0]=4 442 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccc2 2230a_100138425928_100000211591 [0,0,0,0,1,0|3,0,0]=4 443 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_100000210206 [0,0,0,0,1,0|3,0,0]=4 444 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210206 [0,0,0,0,1,0|2,0,0]=3 445 B18R2.7184 CC(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_100000210206 [0,0,0,0,1,0|3,0,0]=4 446 B18R2.7184 CC(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000210206 [0,0,0,0,1,0|3,0,0]=4 447 B18R2.7184 CC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000210206 [0,0,0,0,1,0|2,0,0]=3 448 B18R2.7184 CC(C)SC(c1ccccc1)c2ccccc2 62a_100000210206_100011216954 [0,0,0,0,1,0|3,0,0]=4 449 B18R2.7184 CC(C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100000210206 [0,0,0,0,1,0|3,0,0]=4 450 B18R2.7184 [13CH3]C(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_200025704644 [0,0,0,0,1,0|3,0,0]=4 451 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccco2 2230a_100015185865_100000210760 [0,0,0,0,1,0|3,0,0]=4 452 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccco2 270004a_100015185865_100000210432 [0,0,0,0,1,0|3,0,0]=4 453 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccco2 34a_100015185865_100000210624 [0,0,0,0,1,0|3,0,0]=4 454 B18R2.9953 CC(C)CNC(c1ccccc1)c2cccs2 2230a_100025760362_100000210760 [0,0,0,0,1,0|3,0,0]=4 455 B18R2.9953 CC(C)CNC(c1ccccc1)c2cccs2 270004a_100000210953_100011214959 [0,0,0,0,1,0|3,0,0]=4 456 B18R2.9953 CC(C)CNC(c1ccccc1)c2cccs2 270004a_100025760362_100000210432 [0,0,0,0,1,0|3,0,0]=4 457 B18R2.9953 CC(C)CNC(c1ccccc1)c2cccs2 34a_100025760362_100000210624 [0,0,0,0,1,0|3,0,0]=4 458 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccoc2 2230a_100102946537_100000210760 [0,0,0,0,1,0|3,0,0]=4 459 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccoc2 270004a_100102946537_100000210432 [0,0,0,0,1,0|3,0,0]=4 460 B18R2.9953 CC(C)CNC(c1ccccc1)c2ccoc2 34a_100102946537_100000210624 [0,0,0,0,1,0|3,0,0]=4 461 B18R2.9953 CC(C)COC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000210760 [0,0,0,0,1,0|3,0,0]=4 462 B20R2.10559 CC(C)CCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000210312 [0,0,0,0,0,1|3,0,0]=4 463 B20R2.10559 CC(C)CCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000210312 [0,0,0,0,0,1|3,0,0]=4 464 B20R2.10559 CC(C)CCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000210312 [0,0,0,0,0,1|3,0,0]=4 465 B20R2.10559 CC(C)CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000210760 [0,0,0,0,0,1|3,0,0]=4 466 B20R2.10559 CC(C)CNC(Cc1ccccc1)c2ccccc2 270004a_100025772854_100000210432 [0,0,0,0,0,1|3,0,0]=4 467 B20R2.10559 CC(C)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000210624 [0,0,0,0,0,1|3,0,0]=4 468 B20R2.10559 CC(C)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000210760 [0,0,0,0,0,1|3,0,0]=4 469 B20R2.10559 CN(C)CCC(Nc1cccnn1)c2ccccc2 27a_200015187826_100016991348 [0,0,0,0,0,1|1,0,0]=2 470 B20R2.10559 CN(C)CCC(Nc1ccncn1)c2ccccc2 27a_200015187826_100000703185 [0,0,0,0,0,1|1,0,0]=2 471 B20R2.10559 CN(C)CCC(Nc1cnccn1)c2ccccc2 27a_200015187826_100000211759 [0,0,0,0,0,1|1,0,0]=2 472 B20R2.10559 CN(C)CCC(Nc1ncccn1)c2ccccc2 27a_200015187826_100000211032 [0,0,0,0,0,1|1,0,0]=2 473 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000755713 [0,0,0,0,0,1|2,0,0]=3 474 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccccc2 269982a_200000219566_100000211182 [0,0,0,0,0,1|2,0,0]=3 475 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2cccnn2 27a_114929131140_100016991348 [0,0,0,0,0,1|2,0,0]=3 476 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccncn2 27a_114929131140_100000703185 [0,0,0,0,0,1|2,0,0]=3 477 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2cnccn2 27a_114929131140_100000211759 [0,0,0,0,0,1|2,0,0]=3 478 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ncccn2 27a_114929131140_100000211032 [0,0,0,0,0,1|2,0,0]=3 479 B20R2.10559 CN(C)CCN(Cc1ccccn1)c2ccccc2 269982a_200000219566_100000721315 [0,0,0,0,0,1|1,0,0]=2 480 B20R2.10559 CN(C)CCN(Cc1cccnc1)c2ccccc2 269982a_200000219566_100000733263 [0,0,0,0,0,1|3,0,0]=4 481 B20R2.10559 CN(C)CCN(Cc1ccncc1)c2ccccc2 269982a_200000219566_100015193705 [0,0,0,0,0,1|3,0,0]=4 482 B20R2.10559 CN(C)CCN(Cc1cnccn1)c2ccccc2 269982a_200000219566_100016995436 [0,0,0,0,0,1|2,0,0]=3 483 B20R2.10559 CN(C)CCN(Cc1ncccn1)c2ccccc2 269982a_200000219566_100000703007 [0,0,0,0,0,1|2,0,0]=3 484 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000730704 [0,0,0,0,0,1|2,0,1]=4 485 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000730704 [0,0,0,0,0,1|2,0,1]=4 486 B20R2.10799 C=C(C)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000730704 [0,0,0,0,0,1|1,0,1]=3 487 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000730704 [0,0,0,0,0,1|2,0,1]=4 488 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000730704 [0,0,0,0,0,1|2,0,1]=4 489 B20R2.10799 C=C(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000730704 [0,0,0,0,0,1|1,0,1]=3 490 B20R2.10799 C=C(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000730704 [0,0,0,0,0,1|2,0,1]=4 491 B20R2.10799 C=C(C)CCSC(c1ccccc1)c2ccccc2 62a_100000730704_100011216954 [0,0,0,0,0,1|2,0,1]=4 492 B20R2.10799 C=C(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000748629 [0,0,0,0,0,1|2,0,1]=4 493 B20R2.10799 C=C(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000748629 [0,0,0,0,0,1|2,0,1]=4 494 B20R2.10799 C=C(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000748629 [0,0,0,0,0,1|2,0,1]=4 495 B20R2.10799 C=C(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000748629 [0,0,0,0,0,1|2,0,1]=4 496 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 2230a_100000162943_100000761012 [0,0,0,0,0,1|2,0,1]=4 497 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 270004a_100000718196_100000210122 [0,0,0,0,0,1|2,0,1]=4 498 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccc2)C 34a_100000162943_100000761012 [0,0,0,0,0,1|2,0,1]=4 499 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccn2)C 2230a_100000689936_100000761012 [0,0,0,0,0,1|1,0,1]=3 500 B20R2.10799 CC(=CCNC(c1ccccc1)c2ccccn2)C 270004a_100000718196_100000210380 [0,0,0,0,0,1|1,0,1]=3 501 B20R2.10799 CC(=CCNC(c1cccnc1)c2ccccn2)C 270004a_100000718196_100011376182 [0,0,0,0,0,1|2,0,1]=4 502 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccc2)C 34a_100000211180_100000761012 [0,0,0,0,0,1|2,0,1]=4 503 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccc2)C 7a_100000211180_100000761012 [0,0,0,0,0,1|2,0,1]=4 504 B20R2.10799 CC(=CCOC(c1ccccc1)c2ccccn2)C 7a_100000180852_100000761012 [0,0,0,0,0,1|1,0,1]=3 505 B20R2.10799 CC(=CCSC(c1ccccc1)c2ccccc2)C 62a_100000211591_100000761012 [0,0,0,0,0,1|2,0,1]=4 506 B20R2.10799 CC(=CCSC(c1ccccc1)c2ccccc2)C 62a_100000761012_100011216954 [0,0,0,0,0,1|2,0,1]=4 507 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 1458a_100000070787_100000734929 [0,0,0,0,0,1|3,0,0]=4 508 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000053229 [0,0,0,0,0,1|3,0,0]=4 509 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000759926_100011216954 [0,0,0,0,0,1|3,0,0]=4 510 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000053229 [0,0,0,0,0,1|2,0,0]=3 511 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000053229_100011216954 [0,0,0,0,0,1|3,0,0]=4 512 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000053229 [0,0,0,0,0,1|3,0,0]=4 513 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100015343762 [0,0,0,0,0,1|3,0,0]=4 514 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100015343762 [0,0,0,0,0,1|3,0,0]=4 515 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100015343762 [0,0,0,0,0,1|3,0,0]=4 516 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100103153847 [0,0,0,0,0,1|3,0,0]=4 517 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210312 [0,0,0,0,0,1|2,0,0]=3 518 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 269862a_100000162943_100000185833 [0,0,0,0,0,1|2,0,0]=3 519 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000210545_100000210122 [0,0,0,0,0,1|2,0,0]=3 520 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210312 [0,0,0,0,0,1|2,0,0]=3 521 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210312 [0,0,0,0,0,1|1,0,0]=2 522 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 269862a_100000689936_100000185833 [0,0,0,0,0,1|1,0,0]=2 523 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccn2 270004a_100000210545_100000210380 [0,0,0,0,0,1|1,0,0]=2 524 B20R2.10799 CC(C)CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000210312 [0,0,0,0,0,1|3,0,0]=4 525 B20R2.10799 CC(C)CCNC(c1ccccc1)c2cccnc2 270004a_100000210545_100000735413 [0,0,0,0,0,1|3,0,0]=4 526 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000210312 [0,0,0,0,0,1|3,0,0]=4 527 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccncc2 269862a_100025760769_100000185833 [0,0,0,0,0,1|3,0,0]=4 528 B20R2.10799 CC(C)CCNC(c1ccccn1)c2ccccn2 269862a_100009954364_100000185833 [0,0,0,0,0,1|2,0,0]=3 529 B20R2.10799 CC(C)CCNC(c1cccnc1)c2ccccn2 270004a_100000210545_100011376182 [0,0,0,0,0,1|2,0,0]=3 530 B20R2.10799 CC(C)CCNC(c1cccnc1)c2cnccn2 270004a_100000210545_100000732570 [0,0,0,0,0,1|3,0,0]=4 531 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210312 [0,0,0,0,0,1|2,0,0]=3 532 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 7a_100000210254_100011216954 [0,0,0,0,0,1|2,0,0]=3 533 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210626 [0,0,0,0,0,1|2,0,0]=3 534 B20R2.10799 CC(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210626 [0,0,0,0,0,1|1,0,0]=2 535 B20R2.10799 CC(C)CCSC(c1ccccc1)c2ccccc2 62a_100000210312_100011216954 [0,0,0,0,0,1|2,0,0]=3 536 B20R2.10799 CC(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210312 [0,0,0,0,0,1|2,0,0]=3 537 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210760 [0,0,0,0,0,1|2,0,0]=3 538 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000210432 [0,0,0,0,0,1|2,0,0]=3 539 B20R2.10799 CC(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210624 [0,0,0,0,0,1|2,0,0]=3 540 B20R2.10799 CC(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210624 [0,0,0,0,0,1|2,0,0]=3 541 B20R2.10799 CC(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210760 [0,0,0,0,0,1|2,0,0]=3 542 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210206 [0,0,0,0,0,1|2,0,0]=3 543 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100138425928_100009813428 [0,0,0,0,0,1|2,0,0]=3 544 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210206 [0,0,0,0,0,1|2,0,0]=3 545 B20R2.10799 CC(C)NCCC(c1ccccc1)c2ccccc2 34a_100138425928_100009813428 [0,0,0,0,0,1|2,0,0]=3 546 B20R2.10799 CC(C)NCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210206 [0,0,0,0,0,1|3,0,0]=4 547 B20R2.10799 CC(C)NCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210206 [0,0,0,0,0,1|3,0,0]=4 548 B20R2.10799 CC(C)NCC[S+](c1ccccc1)c2ccccc2 2230a_100138425928_100010140906 [0,0,0,0,0,1|3,0,0]=4 549 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210206 [0,0,0,0,0,1|2,0,0]=3 550 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 34a_100000212225_100009813428 [0,0,0,0,0,1|2,0,0]=3 551 B20R2.10799 CC(C)OCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210206 [0,0,0,0,0,1|2,0,0]=3 552 B20R2.10799 CC(C)OCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000210206 [0,0,0,0,0,1|3,0,0]=4 553 B20R2.10799 CC(C)OCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000210206 [0,0,0,0,0,1|3,0,0]=4 554 B20R2.10799 CC(C)OCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000709892 [0,0,0,0,0,1|3,0,0]=4 555 B20R2.10799 CC(C)OCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000709892 [0,0,0,0,0,1|3,0,0]=4 556 B20R2.10799 CC(C)OCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000709892 [0,0,0,0,0,1|2,0,0]=3 557 B20R2.10799 CC(C)OCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000709892 [0,0,0,0,0,1|3,0,0]=4 558 B20R2.10799 CC(C)OCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000709892 [0,0,0,0,0,1|3,0,0]=4 559 B20R2.10799 CC(C)OCSC(c1ccccc1)c2ccccc2 62a_100000709892_100011216954 [0,0,0,0,0,1|3,0,0]=4 560 B20R2.10799 CC(C)SCCC(c1ccccc1)c2ccccc2 62a_100000210206_100009813428 [0,0,0,0,0,1|2,0,0]=3 561 B20R2.10799 CC(C)SCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000210206 [0,0,0,0,0,1|2,0,0]=3 562 B20R2.10799 CC(C)SCC[S+](c1ccccc1)c2ccccc2 62a_100000210206_100010140906 [0,0,0,0,0,1|3,0,0]=4 563 B20R2.10799 CC(C)SCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000210206 [0,0,0,0,0,1|3,0,0]=4 564 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100012276601 [0,0,0,0,0,1|3,0,0]=4 565 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 2230a_200000755665_100000211591 [0,0,0,0,0,1|3,0,0]=4 566 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 270004a_200000755665_100000210122 [0,0,0,0,0,1|3,0,0]=4 567 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100012276601 [0,0,0,0,0,1|3,0,0]=4 568 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100012276601 [0,0,0,0,0,1|2,0,0]=3 569 B20R2.10799 CC(O)CCNC(c1ccccc1)c2ccccn2 270004a_200000755665_100000210380 [0,0,0,0,0,1|2,0,0]=3 570 B20R2.10799 CC(O)CCNC(c1cccnc1)c2ccccn2 270004a_200000755665_100011376182 [0,0,0,0,0,1|3,0,0]=4 571 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100012276601 [0,0,0,0,0,1|3,0,0]=4 572 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100012276601 [0,0,0,0,0,1|3,0,0]=4 573 B20R2.10799 CC(O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100012276601 [0,0,0,0,0,1|2,0,0]=3 574 B20R2.10799 CC(O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100012276601 [0,0,0,0,0,1|3,0,0]=4 575 B20R2.10799 CC(O)CCSC(c1ccccc1)c2ccccc2 62a_100012276601_100011216954 [0,0,0,0,0,1|3,0,0]=4 576 B20R2.10799 CC(O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011218427 [0,0,0,0,0,1|3,0,0]=4 577 B20R2.10799 CC(O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011218427 [0,0,0,0,0,1|3,0,0]=4 578 B20R2.10799 CC(O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100011218427 [0,0,0,0,0,1|3,0,0]=4 579 B20R2.10799 CC(O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100011218427 [0,0,0,0,0,1|3,0,0]=4 580 B20R2.10799 CN(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000210585_100000210122 [0,0,0,0,0,1|1,0,0]=2 581 B20R2.10799 CN(C)CCNC(c1ccccc1)c2ccccn2 270004a_100000210585_100000210380 [0,0,0,0,0,1|0,0,0]=1 582 B20R2.10799 CN(C)CCNC(c1ccccc1)c2cccnc2 270004a_100000210585_100000735413 [0,0,0,0,0,1|2,0,0]=3 583 B20R2.10799 CN(C)CCNC(c1cccnc1)c2ccccn2 270004a_100000210585_100011376182 [0,0,0,0,0,1|1,0,0]=2 584 B20R2.10799 CN(C)CCNC(c1cccnc1)c2cccnc2 270004a_100000210585_200011376183 [0,0,0,0,0,1|3,0,0]=4 585 B20R2.10799 CN(C)CCNC(c1cccnc1)c2cnccn2 270004a_100000210585_100000732570 [0,0,0,0,0,1|2,0,0]=3 586 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 2230a_100102631434_100000734929 [0,0,0,0,0,1|1,0,0]=2 587 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 2230a_200016989109_200000210301 [0,0,0,0,0,1|1,0,0]=2 588 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 269982a_100102631434_100000734929 [0,0,0,0,0,1|1,0,0]=2 589 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_200000210301 [0,0,0,0,0,1|1,0,0]=2 590 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000755713 [0,0,0,0,0,1|1,0,0]=2 591 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000755713 [0,0,0,0,0,1|0,0,0]=1 592 B20R2.10799 CN(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000755713 [0,0,0,0,0,1|1,0,0]=2 593 B20R2.10799 CN([13CH3])CCOC(c1ccccc1)c2ccccc2 2230a_200016989109_200025704644 [0,0,0,0,0,1|1,0,0]=2 594 B20R2.10799 CN([13CH3])CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_200025704644 [0,0,0,0,0,1|1,0,0]=2 595 B20R2.10799 C[C@@H](O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100009817552 [0,0,0,0,0,1|3,0,0]=4 596 B20R2.10799 C[C@@H](O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100009817552 [0,0,0,0,0,1|3,0,0]=4 597 B20R2.10799 C[C@@H](O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100009817552 [0,0,0,0,0,1|3,0,0]=4 598 B20R2.10799 C[C@@H](O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100009817552 [0,0,0,0,0,1|3,0,0]=4 599 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000744528 [0,0,0,0,0,1|3,0,0]=4 600 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000744528 [0,0,0,0,0,1|3,0,0]=4 601 B17R2.159 CCCN(c1ccccc1)c2cccnn2 27a_200011218496_100016991348 [2,0,0,0,0,0|2,0,0]=4 602 B17R2.159 CCCN(c1ccccc1)c2ccncn2 27a_200011218496_100000703185 [2,0,0,0,0,0|2,0,0]=4 603 B17R2.159 CCCN(c1ccccc1)c2cnccn2 27a_200011218496_100000211759 [2,0,0,0,0,0|2,0,0]=4 604 B17R2.159 CCCN(c1ccccc1)c2ncccn2 27a_200011218496_100000211032 [2,0,0,0,0,0|2,0,0]=4 605 B17R2.159 CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210202 [2,0,0,0,0,0|2,0,0]=4 606 B17R2.159 CCNC(c1ccccc1)c2ccccc2 2230a_100015525214_100000211591 [2,0,0,0,0,0|2,0,0]=4 607 B17R2.159 CCNC(c1ccccc1)c2ccccc2 270004a_100015525214_100000210122 [2,0,0,0,0,0|2,0,0]=4 608 B17R2.159 CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210202 [2,0,0,0,0,0|2,0,0]=4 609 B17R2.159 CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210202 [2,0,0,0,0,0|1,0,0]=3 610 B17R2.159 CCNC(c1ccccc1)c2ccccn2 270004a_100015525214_100000210380 [2,0,0,0,0,0|1,0,0]=3 611 B17R2.159 CCNC(c1cccnc1)c2ccccn2 270004a_100015525214_100011376182 [2,0,0,0,0,0|2,0,0]=4 612 B17R2.159 CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210202 [2,0,0,0,0,0|2,0,0]=4 613 B17R2.159 CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210202 [2,0,0,0,0,0|2,0,0]=4 614 B17R2.159 CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210202 [2,0,0,0,0,0|1,0,0]=3 615 B17R2.159 CCSC(c1ccccc1)c2ccccc2 62a_100000210202_100011216954 [2,0,0,0,0,0|2,0,0]=4 616 B17R2.159 CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210202 [2,0,0,0,0,0|2,0,0]=4 617 B17R2.159 CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_200000210301 [2,0,0,0,0,0|1,0,0]=3 618 B17R2.159 CNCC(c1ccccc1)c2ccccc2 34a_100000739227_200000210301 [2,0,0,0,0,0|1,0,0]=3 619 B17R2.159 COCC(c1ccccc1)c2ccccc2 34a_100011215272_200000210301 [2,0,0,0,0,0|2,0,0]=4 620 B17R2.159 COCC(c1ccccc1)c2ccccc2 7a_100011215272_200000210301 [2,0,0,0,0,0|2,0,0]=4 621 B17R2.159 FCOC(c1ccccc1)c2ccccn2 7a_100000180852_100015361967 [2,0,0,0,0,0|2,0,0]=4 622 B17R2.159 [13CH3]NCC(c1ccccc1)c2ccccc2 2230a_100000739227_200025704644 [2,0,0,0,0,0|1,0,0]=3 623 B17R2.159 [13CH3]NCC(c1ccccc1)c2ccccc2 34a_100000739227_200025704644 [2,0,0,0,0,0|1,0,0]=3 624 B17R2.159 [13CH3]OCC(c1ccccc1)c2ccccc2 34a_100011215272_200025704644 [2,0,0,0,0,0|2,0,0]=4 625 B17R2.159 [13CH3]OCC(c1ccccc1)c2ccccc2 7a_100011215272_200025704644 [2,0,0,0,0,0|2,0,0]=4 626 B19R1.27656 C=CC=CC(=O)NC(CCN(C)C)c1ccccc1 1626a_200015187826_100016291481 [0,1,1,0,0,0|2,0,0]=4 627 B19R1.55055 C/C=C/C=CC(=O)N(CCN(C)C)c1ccccc1 11a_200000219566_100000185730 [0,1,1,0,0,0|2,0,0]=4 628 B19R1.55055 C/C=C/C=CC(=O)N(CCN(C)C)c1ccccc1 1626a_200000219566_100000185730 [0,1,1,0,0,0|2,0,0]=4 629 B19R1.55055 C/C=C/C=CC(=O)N(CCN(C)C)c1ccccc1 22a_200000219566_100000185730 [0,1,1,0,0,0|2,0,0]=4 630 B19R2.31 CCCCN(c1ccccc1)c2cc(ccn2)F 27a_100000211623_100000764206 [1,1,0,0,0,0|2,0,0]=4 631 B19R2.31 CCCCN(c1ccccc1)c2cccc(n2)F 27a_100000211623_100009815982 [1,1,0,0,0,0|2,0,0]=4 632 B19R2.31 CCCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100020643023_100000688346 [1,1,0,0,0,0|2,0,0]=4 633 B19R2.34 CCCCN(c1ccccc1)c2ccc(cn2)Br 27a_100000211623_100000686858 [1,1,0,0,0,0|2,0,0]=4 634 B19R2.34 CCCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100020643023_200010179208 [1,1,0,0,0,0|2,0,0]=4 635 B19R2.34 CCCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100020643023_100000753647 [1,1,0,0,0,0|2,0,0]=4 636 B19R2.34 CCCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210303 [1,1,0,0,0,0|2,0,0]=4 637 B19R2.34 CCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000210303_200010188304 [1,1,0,0,0,0|2,0,0]=4 638 B19R2.34 CCCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000210303 [1,1,0,0,0,0|2,0,0]=4 639 B19R2.34 COCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000766300_200010188304 [1,1,0,0,0,0|2,0,0]=4 640 B19R2.34 COCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000766300 [1,1,0,0,0,0|2,0,0]=4 641 B19R2.34 CSCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011218213 [1,1,0,0,0,0|2,0,0]=4 642 B19R2.34 CSCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100011218213_200010188304 [1,1,0,0,0,0|2,0,0]=4 643 B19R2.34 CSCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100011218213 [1,1,0,0,0,0|2,0,0]=4 644 B19R2.2474 C#CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000688953 [1,1,0,0,0,0|1,0,1]=4 645 B19R2.2474 C#CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000688953 [1,1,0,0,0,0|1,0,1]=4 646 B19R2.2474 C/C=C/COC(c1ccccc1)c2ccccn2 7a_100000180852_100102629194 [1,1,0,0,0,0|1,0,1]=4 647 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000754431 [1,1,0,0,0,0|1,0,1]=4 648 B19R2.2474 C=CCCNC(c1ccccc1)c2ccccn2 270004a_100015191253_100000210380 [1,1,0,0,0,0|1,0,1]=4 649 B19R2.2474 C=CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000754431 [1,1,0,0,0,0|1,0,1]=4 650 B19R2.2474 CC#CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000748600 [1,1,0,0,0,0|1,0,1]=4 651 B19R2.2474 CC#CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000748600 [1,1,0,0,0,0|1,0,1]=4 652 B19R2.2474 CC=CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000070051 [1,1,0,0,0,0|1,0,1]=4 653 B19R2.2474 CC=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000070051 [1,1,0,0,0,0|1,0,1]=4 654 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 2230a_100000102301_100000211591 [1,1,0,0,0,0|2,0,0]=4 655 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210211 [1,1,0,0,0,0|2,0,0]=4 656 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 270004a_100000102301_100000210122 [1,1,0,0,0,0|2,0,0]=4 657 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000210210 [1,1,0,0,0,0|2,0,0]=4 658 B19R2.2474 CCCCNC(c1ccccc1)c2ccccc2 7a_106832991798_100011216954 [1,1,0,0,0,0|2,0,0]=4 659 B19R2.2474 CCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000210211 [1,1,0,0,0,0|1,0,0]=3 660 B19R2.2474 CCCCNC(c1ccccc1)c2ccccn2 270004a_100000102301_100000210380 [1,1,0,0,0,0|1,0,0]=3 661 B19R2.2474 CCCCNC(c1cccnc1)c2ccccn2 270004a_100000102301_100011376182 [1,1,0,0,0,0|2,0,0]=4 662 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000210210 [1,1,0,0,0,0|2,0,0]=4 663 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 7a_100000210227_100011216954 [1,1,0,0,0,0|2,0,0]=4 664 B19R2.2474 CCCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000210211 [1,1,0,0,0,0|2,0,0]=4 665 B19R2.2474 CCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000210211 [1,1,0,0,0,0|1,0,0]=3 666 B19R2.2474 CCCCSC(c1ccccc1)c2ccccc2 62a_100000210211_100011216954 [1,1,0,0,0,0|2,0,0]=4 667 B19R2.2474 CCCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210210 [1,1,0,0,0,0|2,0,0]=4 668 B19R2.2474 CCCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210303 [1,1,0,0,0,0|2,0,0]=4 669 B19R2.2474 CCCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210303 [1,1,0,0,0,0|2,0,0]=4 670 B19R2.2474 CCCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210303 [1,1,0,0,0,0|2,0,0]=4 671 B19R2.2474 CCCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210303 [1,1,0,0,0,0|2,0,0]=4 672 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210202 [1,1,0,0,0,0|1,0,0]=3 673 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 2230a_100015525214_100009813428 [1,1,0,0,0,0|1,0,0]=3 674 B19R2.2474 CCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210202 [1,1,0,0,0,0|1,0,0]=3 675 B19R2.2474 CCNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000210202 [1,1,0,0,0,0|2,0,0]=4 676 B19R2.2474 CCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000210202 [1,1,0,0,0,0|2,0,0]=4 677 B19R2.2474 CCNCC[S+](c1ccccc1)c2ccccc2 2230a_100015525214_100010140906 [1,1,0,0,0,0|2,0,0]=4 678 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210202 [1,1,0,0,0,0|2,0,0]=4 679 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 34a_100121572206_100009813428 [1,1,0,0,0,0|2,0,0]=4 680 B19R2.2474 CCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210202 [1,1,0,0,0,0|2,0,0]=4 681 B19R2.2474 CCSCCC(c1ccccc1)c2ccccc2 62a_100000210202_100009813428 [1,1,0,0,0,0|2,0,0]=4 682 B19R2.2474 CCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000210202 [1,1,0,0,0,0|2,0,0]=4 683 B19R2.2474 CNCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200000210301 [1,1,0,0,0,0|2,0,0]=4 684 B19R2.2474 CNCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200000210301 [1,1,0,0,0,0|2,0,0]=4 685 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 2230a_106832991635_100000734929 [1,1,0,0,0,0|1,0,0]=3 686 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 34a_100102657272_100000734929 [1,1,0,0,0,0|1,0,0]=3 687 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 7a_106832991635_100000734929 [1,1,0,0,0,0|1,0,0]=3 688 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011201679 [1,1,0,0,0,0|2,0,0]=4 689 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 2230a_100000209980_100000211591 [1,1,0,0,0,0|2,0,0]=4 690 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 270004a_100000209980_100000210122 [1,1,0,0,0,0|2,0,0]=4 691 B19R2.2474 COCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011201679 [1,1,0,0,0,0|2,0,0]=4 692 B19R2.2474 COCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011201679 [1,1,0,0,0,0|1,0,0]=3 693 B19R2.2474 COCCNC(c1ccccc1)c2ccccn2 270004a_100000209980_100000210380 [1,1,0,0,0,0|1,0,0]=3 694 B19R2.2474 COCCNC(c1cccnc1)c2ccccn2 270004a_100000209980_100011376182 [1,1,0,0,0,0|2,0,0]=4 695 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011201679 [1,1,0,0,0,0|2,0,0]=4 696 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 34a_100138415774_100000734929 [1,1,0,0,0,0|2,0,0]=4 697 B19R2.2474 COCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000233755 [1,1,0,0,0,0|2,0,0]=4 698 B19R2.2474 COCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000233755 [1,1,0,0,0,0|1,0,0]=3 699 B19R2.2474 COCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000233755 [1,1,0,0,0,0|2,0,0]=4 700 B19R2.2474 COCCSC(c1ccccc1)c2ccccc2 62a_100000233755_100011216954 [1,1,0,0,0,0|2,0,0]=4 701 B19R2.2474 COCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000766300 [1,1,0,0,0,0|2,0,0]=4 702 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000751147 [1,1,0,0,0,0|2,0,0]=4 703 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 2230a_100020590264_100000211591 [1,1,0,0,0,0|2,0,0]=4 704 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 270004a_100020590264_100000210122 [1,1,0,0,0,0|2,0,0]=4 705 B19R2.2474 CSCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000212216 [1,1,0,0,0,0|2,0,0]=4 706 B19R2.2474 CSCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000751147 [1,1,0,0,0,0|1,0,0]=3 707 B19R2.2474 CSCCNC(c1ccccc1)c2ccccn2 270004a_100020590264_100000210380 [1,1,0,0,0,0|1,0,0]=3 708 B19R2.2474 CSCCNC(c1cccnc1)c2ccccn2 270004a_100020590264_100011376182 [1,1,0,0,0,0|2,0,0]=4 709 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000212216 [1,1,0,0,0,0|2,0,0]=4 710 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 62a_100000734929_200000210301 [1,1,0,0,0,0|2,0,0]=4 711 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 62a_200000210301_100000734929 [1,1,0,0,0,0|2,0,0]=4 712 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000212216 [1,1,0,0,0,0|2,0,0]=4 713 B19R2.2474 CSCCOC(c1ccccc1)c2ccccc2 7a_100000230434_100011216954 [1,1,0,0,0,0|2,0,0]=4 714 B19R2.2474 CSCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000212216 [1,1,0,0,0,0|1,0,0]=3 715 B19R2.2474 CSCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000751147 [1,1,0,0,0,0|2,0,0]=4 716 B19R2.2474 CSCCSC(c1ccccc1)c2ccccc2 62a_100000212216_100011216954 [1,1,0,0,0,0|2,0,0]=4 717 B19R2.2474 CSCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100011218213 [1,1,0,0,0,0|2,0,0]=4 718 B19R2.2474 CSCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011218213 [1,1,0,0,0,0|2,0,0]=4 719 B19R2.2474 CSCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100011218213 [1,1,0,0,0,0|2,0,0]=4 720 B19R2.2474 FCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011934791 [1,1,0,0,0,0|2,0,0]=4 721 B19R2.2474 FCCCNC(c1ccccc1)c2ccccn2 270004a_100015189416_100000210380 [1,1,0,0,0,0|2,0,0]=4 722 B19R2.2474 FCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011934791 [1,1,0,0,0,0|2,0,0]=4 723 B19R2.2474 FCNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100015361967 [1,1,0,0,0,0|1,0,0]=3 724 B19R2.2474 FCNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100015361967 [1,1,0,0,0,0|2,0,0]=4 725 B19R2.2474 FCOCCC(c1ccccc1)c2ccccc2 34a_100000032380_100015361967 [1,1,0,0,0,0|2,0,0]=4 726 B19R2.2474 FCOCCC(c1ccccc1)c2ccccc2 7a_100000032380_100015361967 [1,1,0,0,0,0|2,0,0]=4 727 B19R2.2474 FCSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100015361967 [1,1,0,0,0,0|2,0,0]=4 728 B19R2.2474 FCSCCC(c1ccccc1)c2ccccc2 62a_100015361967_100009813428 [1,1,0,0,0,0|2,0,0]=4 729 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011215226 [1,1,0,0,0,0|2,0,0]=4 730 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccn2 270004a_100000720768_100000210380 [1,1,0,0,0,0|2,0,0]=4 731 B19R2.2474 N#CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000184422 [1,1,0,0,0,0|2,0,0]=4 732 B19R2.2474 OCCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000230001 [1,1,0,0,0,0|2,0,0]=4 733 B19R2.2474 OCCCNC(c1ccccc1)c2ccccn2 270004a_100000182051_100000210380 [1,1,0,0,0,0|2,0,0]=4 734 B19R2.2474 OCCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215043 [1,1,0,0,0,0|2,0,0]=4 735 B19R2.2474 [13CH3]NCCCP(c1ccccc1)c2ccccc2 2230a_100016990410_200025704644 [1,1,0,0,0,0|2,0,0]=4 736 B19R2.2474 [13CH3]NCCCP(c1ccccc1)c2ccccc2 34a_100016990410_200025704644 [1,1,0,0,0,0|2,0,0]=4 737 B19R2.2474 [13CH3]SCCOC(c1ccccc1)c2ccccc2 62a_100000734929_200025704644 [1,1,0,0,0,0|2,0,0]=4 738 B19R2.2474 [13CH3]SCCOC(c1ccccc1)c2ccccc2 62a_200025704644_100000734929 [1,1,0,0,0,0|2,0,0]=4 739 B19R2.4625 CCCCN(c1ccccc1)c2ncccc2Br 27a_100000211623_100000696092 [1,1,0,0,0,0|2,0,0]=4 740 B19R2.4625 CCCNC(c1ccccn1)c2ccccc2Cl 270004a_100020643023_100011400554 [1,1,0,0,0,0|2,0,0]=4 741 B19R2.9813 CCCN(C)C(c1ccccc1)c2ccccn2 270004a_100000747261_100000210380 [1,1,0,0,0,0|2,0,0]=4 742 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100000758301 [1,1,0,0,0,0|2,0,0]=4 743 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccn2 270004a_100000209981_100000210380 [1,1,0,0,0,0|2,0,0]=4 744 B19R2.12918 CCC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000758301 [1,1,0,0,0,0|2,0,0]=4 745 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 11a_106832991635_100000499737 [1,1,0,0,0,0|1,0,1]=4 746 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 1626a_100102657272_100000499737 [1,1,0,0,0,0|1,0,1]=4 747 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 240690a_100102657272_100000499737 [1,1,0,0,0,0|1,0,1]=4 748 B19R2.12918 CNC(=O)CC(c1ccccc1)c2ccccc2 527a_100102657272_100000499737 [1,1,0,0,0,0|1,0,1]=4 749 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccn2 2708a_100102657272_100000689936 [1,1,0,0,0,0|1,0,1]=4 750 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccn2 273464a_100102657272_100000689936 [1,1,0,0,0,0|1,0,1]=4 751 B19R2.12918 CNC(=O)NC(c1ccccc1)c2ccccn2 512a_106832991638_100000689936 [1,1,0,0,0,0|1,0,1]=4 752 B19R2.12918 CNC(C)CC(c1ccccc1)c2ccccc2 270004a_106832991635_200000011111 [1,1,0,0,0,0|1,0,0]=3 753 B19R2.13225 CCCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210303 [1,1,0,0,0,0|2,0,0]=4 754 B19R2.12362 CC(C)NC(c1ccc(cc1)Cl)c2ccccn2 2230a_100138425928_200010188304 [0,1,0,0,1,0|2,0,0]=4 755 B19R2.12362 CC(C)OC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210206 [0,1,0,0,1,0|2,0,0]=4 756 B19R2.12362 CC(C)SC(c1ccc(cc1)Cl)c2ccccn2 62a_100000210206_200010188304 [0,1,0,0,1,0|2,0,0]=4 757 B19R2.12362 CC(C)SC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000210206 [0,1,0,0,1,0|2,0,0]=4 758 B19R2.13518 CC(C)OC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210206 [0,1,0,0,1,0|2,0,0]=4 759 B19R2.113616 CC(C)N(C)C(c1ccccc1)c2ccccn2 270004a_200000211004_100000210380 [0,1,0,0,1,0|2,0,0]=4 760 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 11a_100102631434_100000210944 [0,1,0,0,1,0|1,0,1]=4 761 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 1626a_100102631434_100000210944 [0,1,0,0,1,0|1,0,1]=4 762 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 240690a_100102631434_100000210944 [0,1,0,0,1,0|1,0,1]=4 763 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 527a_100102631434_100000210944 [0,1,0,0,1,0|1,0,1]=4 764 B19R2.21039 CN(C)C(=O)CC(c1ccccc1)c2ccco2 11a_100102631434_100000067043 [0,1,0,0,1,0|1,0,1]=4 765 B19R2.21039 CN(C)C(=O)CC(c1ccccc1)c2ccco2 1626a_100102631434_100000067043 [0,1,0,0,1,0|1,0,1]=4 766 B19R2.21039 CN(C)C(=O)CC(c1ccccc1)c2ccco2 240690a_100102631434_100000067043 [0,1,0,0,1,0|1,0,1]=4 767 B19R2.21039 CN(C)C(=O)CC(c1ccccc1)c2ccco2 527a_100102631434_100000067043 [0,1,0,0,1,0|1,0,1]=4 768 B21R2.22574 CC(C)CC(C)N(Cc1ccccn1)c2ccccc2 2230a_100000712670_100000721315 [0,1,0,0,0,1|2,0,0]=4 769 B21R2.22574 CC(C)CC(C)N(Cc1ccccn1)c2ccccc2 269982a_100000712670_100000721315 [0,1,0,0,0,1|2,0,0]=4 770 B21R2.22574 CC(C)CC(C)N(Cc1ccccn1)c2ccccc2 34a_100000712670_100000721315 [0,1,0,0,0,1|2,0,0]=4 771 B21R2.22574 CC(C)CC(C)N(Cc1ccccn1)c2ccccc2 38a_100000712670_100000721315 [0,1,0,0,0,1|2,0,0]=4 772 B21R2.22574 CC(C)CC(C)N(Cc1ccccn1)c2ccccc2 7a_100000712670_100000721315 [0,1,0,0,0,1|2,0,0]=4 773 B21R2.22574 CC(CN(C)C)N(Cc1ccccc1)c2ccccc2 269982a_100000188819_100020606517 [0,1,0,0,0,1|2,0,0]=4 774 B21R2.103574 CN(C)CCC(Nc1c[n+](ccn1)[O-])c2ccccc2 27a_200015187826_100009880115 [0,1,0,0,0,1|1,0,0]=3 775 B21R2.103574 CN(C)CCC(Nc1cc(ccn1)F)c2ccccc2 27a_200015187826_100000764206 [0,1,0,0,0,1|0,0,0]=2 776 B21R2.103574 CN(C)CCC(Nc1cc(ncn1)F)c2ccccc2 27a_200015187826_200009880791 [0,1,0,0,0,1|1,0,0]=3 777 B21R2.103574 CN(C)CCC(Nc1cc(ncn1)N)c2ccccc2 27a_200015187826_100000701291 [0,1,0,0,0,1|1,0,0]=3 778 B21R2.103574 CN(C)CCC(Nc1cc(ncn1)O)c2ccccc2 27a_200015187826_100000765262 [0,1,0,0,0,1|1,0,0]=3 779 B21R2.103574 CN(C)CCC(Nc1cc[nH]c(=O)c1)c2ccccc2 27a_200015187826_100000061649 [0,1,0,0,0,1|2,0,0]=4 780 B21R2.103574 CN(C)CCC(Nc1cc[nH]c(=O)n1)c2ccccc2 27a_200015187826_200000134032 [0,1,0,0,0,1|1,0,0]=3 781 B21R2.103574 CN(C)CCC(Nc1cccc(n1)F)c2ccccc2 27a_200015187826_100009815982 [0,1,0,0,0,1|0,0,0]=2 782 B21R2.103574 CN(C)CCC(Nc1ccnc(c1)F)c2ccccc2 27a_200015187826_100009816116 [0,1,0,0,0,1|2,0,0]=4 783 B21R2.103574 CN(C)CCC(Nc1ccnc(n1)N)c2ccccc2 27a_200015187826_100000055538 [0,1,0,0,0,1|1,0,0]=3 784 B21R2.103574 CN(C)CCC(Nc1cncc(n1)Cl)c2ccccc2 27a_200015187826_100010892449 [0,1,0,0,0,1|1,0,0]=3 785 B21R2.103574 CN(C)CCC(Nc1cncc(n1)F)c2ccccc2 27a_200015187826_200009863489 [0,1,0,0,0,1|1,0,0]=3 786 B21R2.103574 CN(C)CCC(Nc1nccc(n1)N)c2ccccc2 27a_200015187826_100000757536 [0,1,0,0,0,1|1,0,0]=3 787 B21R2.103574 CN(C)CCC(Nc1nccc(n1)O)c2ccccc2 27a_200015187826_100011649813 [0,1,0,0,0,1|1,0,0]=3 788 B21R2.103574 CN(C)CCC(Nc1ncnc(n1)N)c2ccccc2 27a_200015187826_100000123831 [0,1,0,0,0,1|2,0,0]=4 789 B21R2.103574 CN(C)CCN(Cc1cc(ccn1)Br)c2ccccc2 269982a_200000219566_100010173614 [0,1,0,0,0,1|1,0,0]=3 790 B21R2.103574 CN(C)CCN(Cc1cc(ccn1)Cl)c2ccccc2 269982a_200000219566_100016988179 [0,1,0,0,0,1|1,0,0]=3 791 B21R2.103574 CN(C)CCN(Cc1cccc(c1)Br)c2ccccc2 269982a_200000219566_100000211773 [0,1,0,0,0,1|2,0,0]=4 792 B21R2.103574 CN(C)CCN(Cc1cccc(c1)Cl)c2ccccc2 269982a_200000219566_100000181238 [0,1,0,0,0,1|2,0,0]=4 793 B21R2.103574 CN(C)CCN(Cc1cccc(c1)Cl)c2cccnn2 27a_100000196185_100016991348 [0,1,0,0,0,1|2,0,0]=4 794 B21R2.103574 CN(C)CCN(Cc1cccc(c1)Cl)c2ccncn2 27a_100000196185_100000703185 [0,1,0,0,0,1|2,0,0]=4 795 B21R2.103574 CN(C)CCN(Cc1cccc(c1)Cl)c2cnccn2 27a_100000196185_100000211759 [0,1,0,0,0,1|2,0,0]=4 796 B21R2.103574 CN(C)CCN(Cc1cccc(c1)Cl)c2ncccn2 27a_100000196185_100000211032 [0,1,0,0,0,1|2,0,0]=4 797 B21R2.103574 CN(C)CCN(Cc1cccc(c1)F)c2ccccc2 269982a_200000219566_100000230114 [0,1,0,0,0,1|2,0,0]=4 798 B21R2.103574 CN(C)CCN(Cc1cccc(c1)I)c2ccccc2 269982a_200000219566_100011218688 [0,1,0,0,0,1|2,0,0]=4 799 B21R2.103574 CN(C)CCN(Cc1cccc(c1)O)c2ccccc2 269982a_200000219566_100000084143 [0,1,0,0,0,1|2,0,0]=4 800 B21R2.103574 CN(C)CCN(Cc1cccc(n1)Br)c2ccccc2 269982a_200000219566_100009889011 [0,1,0,0,0,1|1,0,0]=3 801 B21R2.103574 CN(C)CCN(Cc1cccc(n1)Cl)c2ccccc2 269982a_200000219566_100000086093 [0,1,0,0,0,1|1,0,0]=3 802 B21R2.103574 CN(C)CCN(Cc1cccc(n1)F)c2ccccc2 269982a_200000219566_100009819644 [0,1,0,0,0,1|1,0,0]=3 803 B21R2.103574 CN(C)CCN(Cc1ccnc(n1)Cl)c2ccccc2 269982a_200000219566_100000099655 [0,1,0,0,0,1|2,0,0]=4 804 B21R2.103574 Cc1cc(ccn1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000758586 [0,1,0,0,0,1|2,0,0]=4 805 B21R2.103574 Cc1cc(ncn1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000744208 [0,1,0,0,0,1|1,0,0]=3 806 B21R2.103574 Cc1cccc(c1)CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000211840 [0,1,0,0,0,1|2,0,0]=4 807 B21R2.103574 Cc1cccc(c1)CN(CCN(C)C)c2cccnn2 27a_100000196196_100016991348 [0,1,0,0,0,1|2,0,0]=4 808 B21R2.103574 Cc1cccc(c1)CN(CCN(C)C)c2ccncn2 27a_100000196196_100000703185 [0,1,0,0,0,1|2,0,0]=4 809 B21R2.103574 Cc1cccc(c1)CN(CCN(C)C)c2cnccn2 27a_100000196196_100000211759 [0,1,0,0,0,1|2,0,0]=4 810 B21R2.103574 Cc1cccc(c1)CN(CCN(C)C)c2ncccn2 27a_100000196196_100000211032 [0,1,0,0,0,1|2,0,0]=4 811 B21R2.103574 Cc1cccc(n1)CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000757606 [0,1,0,0,0,1|1,0,0]=3 812 B21R2.103574 Cc1ccnc(c1)CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000718516 [0,1,0,0,0,1|1,0,0]=3 813 B21R2.103574 Cc1ccnc(n1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000750684 [0,1,0,0,0,1|1,0,0]=3 814 B21R2.103574 Cc1cncc(n1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000754123 [0,1,0,0,0,1|1,0,0]=3 815 B21R2.103574 Cc1cnnc(c1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000070100 [0,1,0,0,0,1|1,0,0]=3 816 B21R2.103574 Cc1nccc(n1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000749937 [0,1,0,0,0,1|1,0,0]=3 817 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2c[n+](ccn2)[O-] 27a_114929131140_100009880115 [0,1,0,0,0,1|2,0,0]=4 818 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cc(ccn2)F 27a_114929131140_100000764206 [0,1,0,0,0,1|1,0,0]=3 819 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cc(ncn2)F 27a_114929131140_200009880791 [0,1,0,0,0,1|2,0,0]=4 820 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cc(ncn2)N 27a_114929131140_100000701291 [0,1,0,0,0,1|2,0,0]=4 821 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cc(ncn2)O 27a_114929131140_100000765262 [0,1,0,0,0,1|2,0,0]=4 822 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cc[nH]c(=O)n2 27a_114929131140_200000134032 [0,1,0,0,0,1|2,0,0]=4 823 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cccc(c2)Br 269982a_100000224063_100000755713 [0,1,0,0,0,1|2,0,0]=4 824 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cccc(c2)Cl 269982a_100102953027_100000755713 [0,1,0,0,0,1|2,0,0]=4 825 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cccc(c2)F 269982a_100102952868_100000755713 [0,1,0,0,0,1|2,0,0]=4 826 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cccc(n2)F 27a_114929131140_100009815982 [0,1,0,0,0,1|1,0,0]=3 827 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2ccnc(n2)N 27a_114929131140_100000055538 [0,1,0,0,0,1|2,0,0]=4 828 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cncc(n2)Cl 27a_114929131140_100010892449 [0,1,0,0,0,1|2,0,0]=4 829 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2cncc(n2)F 27a_114929131140_200009863489 [0,1,0,0,0,1|2,0,0]=4 830 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2nccc(n2)N 27a_114929131140_100000757536 [0,1,0,0,0,1|2,0,0]=4 831 B21R2.103712 CN(C)CCN(Cc1ccccc1)c2nccc(n2)O 27a_114929131140_100011649813 [0,1,0,0,0,1|2,0,0]=4 832 B21R2.103712 Cc1cc(ncn1)N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000744208 [0,1,0,0,0,1|2,0,0]=4 833 B21R2.103712 Cc1cccc(c1)N(CCN(C)C)Cc2ccccc2 269982a_100000185206_100000755713 [0,1,0,0,0,1|2,0,0]=4 834 B21R2.103712 Cc1ccnc(n1)N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000750684 [0,1,0,0,0,1|2,0,0]=4 835 B21R2.103712 Cc1cncc(n1)N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000754123 [0,1,0,0,0,1|2,0,0]=4 836 B21R2.103712 Cc1cnnc(c1)N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000070100 [0,1,0,0,0,1|2,0,0]=4 837 B21R2.103712 Cc1nccc(n1)N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000749937 [0,1,0,0,0,1|2,0,0]=4 838 B21R2.106968 CN(C)CCC(Nc1ccncc1Br)c2ccccc2 27a_200015187826_100000726257 [0,1,0,0,0,1|2,0,0]=4 839 B21R2.106968 CN(C)CCC(Nc1ccncc1F)c2ccccc2 27a_200015187826_100000035921 [0,1,0,0,0,1|2,0,0]=4 840 B21R2.106968 CN(C)CCC(Nc1ncccc1Br)c2ccccc2 27a_200015187826_100000696092 [0,1,0,0,0,1|0,0,0]=2 841 B21R2.106968 CN(C)CCC(Nc1nccnc1F)c2ccccc2 27a_200015187826_200010125657 [0,1,0,0,0,1|1,0,0]=3 842 B21R2.106968 CN(C)CCC(Nc1ncncc1F)c2ccccc2 27a_200015187826_100000069762 [0,1,0,0,0,1|1,0,0]=3 843 B21R2.106968 CN(C)CCC(Nc1ncncc1N)c2ccccc2 27a_200015187826_100000709731 [0,1,0,0,0,1|1,0,0]=3 844 B21R2.106968 CN(C)CCN(Cc1ccccc1Br)c2ccccc2 269982a_200000219566_100000184730 [0,1,0,0,0,1|2,0,0]=4 845 B21R2.106968 CN(C)CCN(Cc1ccccc1Cl)c2ccccc2 269982a_200000219566_100000187162 [0,1,0,0,0,1|2,0,0]=4 846 B21R2.106968 CN(C)CCN(Cc1ccccc1F)c2ccccc2 269982a_100000224004_100000755713 [0,1,0,0,0,1|2,0,0]=4 847 B21R2.106968 CN(C)CCN(Cc1ccccc1F)c2ccccc2 269982a_200000219566_100000211605 [0,1,0,0,0,1|2,0,0]=4 848 B21R2.106968 CN(C)CCN(Cc1ccccc1I)c2ccccc2 269982a_200000219566_100011215278 [0,1,0,0,0,1|2,0,0]=4 849 B21R2.106968 CN(C)CCN(Cc1ncccc1Cl)c2ccccc2 269982a_200000219566_100000099807 [0,1,0,0,0,1|1,0,0]=3 850 B21R2.106968 CN(C)CCN(Cc1ncccc1F)c2ccccc2 269982a_200000219566_100000104219 [0,1,0,0,0,1|1,0,0]=3 851 B21R2.106968 Cc1ccccc1CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000211839 [0,1,0,0,0,1|2,0,0]=4 852 B21R2.106968 Cc1ccccc1CN(CCN(C)C)c2cccnn2 27a_100015185567_100016991348 [0,1,0,0,0,1|2,0,0]=4 853 B21R2.106968 Cc1ccccc1CN(CCN(C)C)c2ccncn2 27a_100015185567_100000703185 [0,1,0,0,0,1|2,0,0]=4 854 B21R2.106968 Cc1ccccc1CN(CCN(C)C)c2cnccn2 27a_100015185567_100000211759 [0,1,0,0,0,1|2,0,0]=4 855 B21R2.106968 Cc1ccccc1CN(CCN(C)C)c2ncccn2 27a_100015185567_100000211032 [0,1,0,0,0,1|2,0,0]=4 856 B21R2.106968 Cc1ccccc1O[C@H](CCN(C)C)c2ccccc2 2230a_100016988935_200000210301 [0,1,0,0,0,1|1,0,0]=3 857 B21R2.106968 Cc1ccccc1O[C@H](CCN(C)C)c2ccccc2 269982a_100016988935_200000210301 [0,1,0,0,0,1|1,0,0]=3 858 B21R2.106968 Cc1ccccc1O[C@H](CCN(C)C)c2ccccc2 34a_100016988935_200000210301 [0,1,0,0,0,1|1,0,0]=3 859 B21R2.106968 Cc1ccccc1O[C@H](CCN(C)C)c2ccccc2 7a_100016988935_200000210301 [0,1,0,0,0,1|1,0,0]=3 860 B21R2.106968 Cc1ccccc1O[C@H](CCN(C)[13CH3])c2ccccc2 2230a_100016988935_200025704644 [0,1,0,0,0,1|1,0,0]=3 861 B21R2.106968 Cc1ccccc1O[C@H](CCN(C)[13CH3])c2ccccc2 269982a_100016988935_200025704644 [0,1,0,0,0,1|1,0,0]=3 862 B21R2.106968 Cc1ccccc1O[C@H](CCN(C)[13CH3])c2ccccc2 34a_100016988935_200025704644 [0,1,0,0,0,1|1,0,0]=3 863 B21R2.106968 Cc1ccccc1O[C@H](CCN(C)[13CH3])c2ccccc2 7a_100016988935_200025704644 [0,1,0,0,0,1|1,0,0]=3 864 B21R2.106968 Cc1cccnc1CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000696600 [0,1,0,0,0,1|1,0,0]=3 865 B21R2.106968 Cc1ccnnc1NC(CCN(C)C)c2ccccc2 27a_200015187826_100000089043 [0,1,0,0,0,1|1,0,0]=3 866 B21R2.106968 Cc1cnccc1NC(CCN(C)C)c2ccccc2 27a_200015187826_100000765111 [0,1,0,0,0,1|2,0,0]=4 867 B21R2.106968 Cc1cncnc1NC(CCN(C)C)c2ccccc2 27a_200015187826_100011998708 [0,1,0,0,0,1|1,0,0]=3 868 B21R2.106968 Cc1nccnc1NC(CCN(C)C)c2ccccc2 27a_200015187826_100011999405 [0,1,0,0,0,1|1,0,0]=3 869 B21R2.107181 CN(C)CCN(Cc1ccccc1)c2ccccc2F 269982a_100025753533_100000755713 [0,1,0,0,0,1|2,0,0]=4 870 B21R2.107181 CN(C)CCN(Cc1ccccc1)c2ncccc2Br 27a_114929131140_100000696092 [0,1,0,0,0,1|1,0,0]=3 871 B21R2.107181 CN(C)CCN(Cc1ccccc1)c2nccnc2F 27a_114929131140_200010125657 [0,1,0,0,0,1|2,0,0]=4 872 B21R2.107181 CN(C)CCN(Cc1ccccc1)c2ncncc2F 27a_114929131140_100000069762 [0,1,0,0,0,1|2,0,0]=4 873 B21R2.107181 CN(C)CCN(Cc1ccccc1)c2ncncc2N 27a_114929131140_100000709731 [0,1,0,0,0,1|2,0,0]=4 874 B21R2.107181 Cc1ccccc1N(CCN(C)C)Cc2ccccc2 269982a_100102946366_100000755713 [0,1,0,0,0,1|2,0,0]=4 875 B21R2.107181 Cc1ccnnc1N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000089043 [0,1,0,0,0,1|2,0,0]=4 876 B21R2.107181 Cc1cncnc1N(CCN(C)C)Cc2ccccc2 27a_114929131140_100011998708 [0,1,0,0,0,1|2,0,0]=4 877 B21R2.107181 Cc1nccnc1N(CCN(C)C)Cc2ccccc2 27a_114929131140_100011999405 [0,1,0,0,0,1|2,0,0]=4 878 B21R2.358766 CN(C)CCC(Nc1ccc(cn1)Br)c2ccccc2 27a_200015187826_100000686858 [0,1,0,0,0,1|0,0,0]=2 879 B21R2.358766 CN(C)CCC(Nc1cnc(cn1)Br)c2ccccc2 27a_200015187826_100010187541 [0,1,0,0,0,1|1,0,0]=3 880 B21R2.358766 CN(C)CCC(Nc1cnc(cn1)F)c2ccccc2 27a_200015187826_100009856528 [0,1,0,0,0,1|1,0,0]=3 881 B21R2.358766 CN(C)CCC(Nc1cnc(nn1)N)c2ccccc2 27a_200015187826_100000691435 [0,1,0,0,0,1|2,0,0]=4 882 B21R2.358766 CN(C)CCC(Nc1ncc(cn1)Br)c2ccccc2 27a_200015187826_100000690281 [0,1,0,0,0,1|1,0,0]=3 883 B21R2.358766 CN(C)CCC(Nc1ncc(cn1)Cl)c2ccccc2 27a_200015187826_100011356929 [0,1,0,0,0,1|1,0,0]=3 884 B21R2.358766 CN(C)CCC(Nc1ncc(cn1)F)c2ccccc2 27a_200015187826_100000685220 [0,1,0,0,0,1|1,0,0]=3 885 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Br)c2ccccc2 269982a_200000219566_100011217064 [0,1,0,0,0,1|2,0,0]=4 886 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Br)c2cccnn2 27a_100000196179_100016991348 [0,1,0,0,0,1|2,0,0]=4 887 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Br)c2ccncn2 27a_100000196179_100000703185 [0,1,0,0,0,1|2,0,0]=4 888 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Br)c2cnccn2 27a_100000196179_100000211759 [0,1,0,0,0,1|2,0,0]=4 889 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Br)c2ncccn2 27a_100000196179_100000211032 [0,1,0,0,0,1|2,0,0]=4 890 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Cl)c2ccccc2 269982a_200000219566_100000187161 [0,1,0,0,0,1|2,0,0]=4 891 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Cl)c2cccnn2 27a_106256045868_100016991348 [0,1,0,0,0,1|2,0,0]=4 892 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Cl)c2ccncn2 27a_106256045868_100000703185 [0,1,0,0,0,1|2,0,0]=4 893 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Cl)c2cnccn2 27a_106256045868_100000211759 [0,1,0,0,0,1|2,0,0]=4 894 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)Cl)c2ncccn2 27a_106256045868_100000211032 [0,1,0,0,0,1|2,0,0]=4 895 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)F)c2ccccc2 269982a_200000219566_100000198546 [0,1,0,0,0,1|2,0,0]=4 896 B21R2.358766 CN(C)CCN(Cc1ccc(cc1)I)c2ccccc2 269982a_200000219566_100000189116 [0,1,0,0,0,1|2,0,0]=4 897 B21R2.358766 CN(C)CCN(Cc1ccc(cn1)Br)c2ccccc2 269982a_200000219566_100000702658 [0,1,0,0,0,1|1,0,0]=3 898 B21R2.358766 CN(C)CCN(Cc1ccc(cn1)Cl)c2ccccc2 269982a_200000219566_100000697101 [0,1,0,0,0,1|1,0,0]=3 899 B21R2.358766 CN(C)CCN(Cc1ccc(cn1)F)c2ccccc2 269982a_200000219566_100000703193 [0,1,0,0,0,1|1,0,0]=3 900 B21R2.358766 CN(C)CCN(Cc1ncc(cn1)Br)c2ccccc2 269982a_200000219566_100010064664 [0,1,0,0,0,1|2,0,0]=4 901 B21R2.358766 Cc1ccc(cc1)CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000210814 [0,1,0,0,0,1|2,0,0]=4 902 B21R2.358766 Cc1ccc(nc1)CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000691093 [0,1,0,0,0,1|1,0,0]=3 903 B21R2.358766 Cc1ccc(nn1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000744512 [0,1,0,0,0,1|1,0,0]=3 904 B21R2.358766 Cc1cnc(cn1)CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000752025 [0,1,0,0,0,1|2,0,0]=4 905 B21R2.358766 Cc1cnc(cn1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000074397 [0,1,0,0,0,1|1,0,0]=3 906 B21R2.358766 Cc1cnc(nc1)CN(CCN(C)C)c2ccccc2 269982a_200000219566_100000685645 [0,1,0,0,0,1|2,0,0]=4 907 B21R2.358766 Cc1cnc(nc1)NC(CCN(C)C)c2ccccc2 27a_200015187826_100000061069 [0,1,0,0,0,1|1,0,0]=3 908 B21R2.358836 CC(C)CCN(Cc1ccccn1)c2ccc(cc2)Br 2230a_100000238286_100000210312 [0,1,0,0,0,1|2,0,0]=4 909 B21R2.358836 CC(C)CCN(Cc1ccccn1)c2ccc(cc2)Br 269982a_100000238286_100000210312 [0,1,0,0,0,1|2,0,0]=4 910 B21R2.358836 CC(C)CCN(Cc1ccccn1)c2ccc(cc2)Br 34a_100000238286_100000210312 [0,1,0,0,0,1|2,0,0]=4 911 B21R2.358836 CC(C)CCN(Cc1ccccn1)c2ccc(cc2)Cl 2230a_100000742532_100000210312 [0,1,0,0,0,1|2,0,0]=4 912 B21R2.358836 CC(C)CCN(Cc1ccccn1)c2ccc(cc2)Cl 269982a_100000742532_100000210312 [0,1,0,0,0,1|2,0,0]=4 913 B21R2.358836 CC(C)CCN(Cc1ccccn1)c2ccc(cc2)Cl 34a_100000742532_100000210312 [0,1,0,0,0,1|2,0,0]=4 914 B21R2.358836 CN(C)CCC(Nc1cccnn1)c2ccc(cc2)F 27a_100020682738_100016991348 [0,1,0,0,0,1|1,0,0]=3 915 B21R2.358836 CN(C)CCC(Nc1ccncn1)c2ccc(cc2)F 27a_100020682738_100000703185 [0,1,0,0,0,1|1,0,0]=3 916 B21R2.358836 CN(C)CCC(Nc1cnccn1)c2ccc(cc2)F 27a_100020682738_100000211759 [0,1,0,0,0,1|1,0,0]=3 917 B21R2.358836 CN(C)CCC(Nc1ncccn1)c2ccc(cc2)F 27a_100020682738_100000211032 [0,1,0,0,0,1|1,0,0]=3 918 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000187040_100000755713 [0,1,0,0,0,1|2,0,0]=4 919 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100000187391_100000755713 [0,1,0,0,0,1|2,0,0]=4 920 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2ccc(cc2)O 269982a_200000188756_100000755713 [0,1,0,0,0,1|2,0,0]=4 921 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2ccc(cn2)Br 27a_114929131140_100000686858 [0,1,0,0,0,1|1,0,0]=3 922 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2cnc(cn2)Br 27a_114929131140_100010187541 [0,1,0,0,0,1|2,0,0]=4 923 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2cnc(cn2)F 27a_114929131140_100009856528 [0,1,0,0,0,1|2,0,0]=4 924 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2ncc(cn2)Br 27a_114929131140_100000690281 [0,1,0,0,0,1|2,0,0]=4 925 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2ncc(cn2)Cl 27a_114929131140_100011356929 [0,1,0,0,0,1|2,0,0]=4 926 B21R2.358836 CN(C)CCN(Cc1ccccc1)c2ncc(cn2)F 27a_114929131140_100000685220 [0,1,0,0,0,1|2,0,0]=4 927 B21R2.358836 CN(C)CCN(Cc1ccccn1)c2ccc(cc2)Br 269982a_100000238286_100000755713 [0,1,0,0,0,1|1,0,0]=3 928 B21R2.358836 CN(C)CCN(Cc1ccccn1)c2ccc(cc2)Cl 269982a_100000742532_100000755713 [0,1,0,0,0,1|1,0,0]=3 929 B21R2.358836 Cc1ccc(cc1)N(CCN(C)C)Cc2ccccc2 269982a_100000185259_100000755713 [0,1,0,0,0,1|2,0,0]=4 930 B21R2.358836 Cc1ccc(nn1)N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000744512 [0,1,0,0,0,1|2,0,0]=4 931 B21R2.358836 Cc1cnc(cn1)N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000074397 [0,1,0,0,0,1|2,0,0]=4 932 B21R2.358836 Cc1cnc(nc1)N(CCN(C)C)Cc2ccccc2 27a_114929131140_100000061069 [0,1,0,0,0,1|2,0,0]=4 933 B21R2.402446 CC(c1ccccc1)N(CCN(C)C)c2ccccc2 269982a_200000219566_100000230085 [0,1,0,0,0,1|2,0,0]=4 934 B21R2.402446 CC(c1cnccn1)N(CCN(C)C)c2ccccc2 269982a_200000219566_200000703233 [0,1,0,0,0,1|2,0,0]=4 935 B21R2.402446 CN(C)CCN(C(=O)c1ccccc1)c2ccccc2 11a_200000219566_100000185807 [0,1,0,0,0,1|2,0,0]=4 936 B21R2.402446 CN(C)CCN(C(=O)c1ccccc1)c2ccccc2 1626a_200000219566_100000185807 [0,1,0,0,0,1|2,0,0]=4 937 B21R2.402446 CN(C)CCN(C(=O)c1ccccc1)c2ccccc2 22a_200000219566_100000185807 [0,1,0,0,0,1|2,0,0]=4 938 B21R2.21291 CC(CF)OCCC(c1ccccc1)c2ccccc2 34a_100016041109_100009813428 [0,1,0,0,0,1|2,0,0]=4 939 B21R2.21291 CC(CF)OCCC(c1ccccc1)c2ccccc2 7a_100016041109_100009813428 [0,1,0,0,0,1|2,0,0]=4 940 B21R2.21291 CC(CN)OCCC(c1ccccc1)c2ccccc2 34a_100000210904_100009813428 [0,1,0,0,0,1|2,0,0]=4 941 B21R2.21291 CC(CO)CCNC(c1ccccc1)c2ccccc2 2230a_106354213184_100000211591 [0,1,0,0,0,1|2,0,0]=4 942 B21R2.21291 CC(CO)CCNC(c1ccccc1)c2ccccc2 270004a_106354213184_100000210122 [0,1,0,0,0,1|2,0,0]=4 943 B21R2.21291 CC(CO)CCNC(c1ccccc1)c2ccccn2 270004a_106354213184_100000210380 [0,1,0,0,0,1|1,0,0]=3 944 B21R2.21291 CC(CO)CCNC(c1cccnc1)c2ccccn2 270004a_106354213184_100011376182 [0,1,0,0,0,1|2,0,0]=4 945 B21R2.21291 CC(CO)NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100012180447 [0,1,0,0,0,1|2,0,0]=4 946 B21R2.21291 CC(CO)NCCC(c1ccccc1)c2ccccc2 34a_100000272388_100012180447 [0,1,0,0,0,1|2,0,0]=4 947 B21R2.21291 CC(CO)OCCC(c1ccccc1)c2ccccc2 34a_100000032380_100012180447 [0,1,0,0,0,1|2,0,0]=4 948 B21R2.21291 CC(CO)OCCC(c1ccccc1)c2ccccc2 7a_100000032380_100012180447 [0,1,0,0,0,1|2,0,0]=4 949 B21R2.21291 CC(CO)SCCC(c1ccccc1)c2ccccc2 62a_100012180447_100009813428 [0,1,0,0,0,1|2,0,0]=4 950 B21R2.21291 CCC(C)CCNC(c1ccccc1)c2ccccc2 2230a_100020591266_100000211591 [0,1,0,0,0,1|2,0,0]=4 951 B21R2.21291 CCC(C)CCNC(c1ccccc1)c2ccccc2 270004a_100020591266_100000210122 [0,1,0,0,0,1|2,0,0]=4 952 B21R2.21291 CCC(C)CCNC(c1ccccc1)c2ccccn2 270004a_100020591266_100000210380 [0,1,0,0,0,1|1,0,0]=3 953 B21R2.21291 CCC(C)CCNC(c1cccnc1)c2ccccn2 270004a_100020591266_100011376182 [0,1,0,0,0,1|2,0,0]=4 954 B21R2.21291 CCC(C)CCOC(c1ccccc1)c2ccccc2 7a_100011215188_100011216954 [0,1,0,0,0,1|2,0,0]=4 955 B21R2.21291 CCC(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000748023 [0,1,0,0,0,1|2,0,0]=4 956 B21R2.21291 CCC(C)CNCC(c1ccccc1)c2ccccc2 270004a_100000739227_100000243153 [0,1,0,0,0,1|2,0,0]=4 957 B21R2.21291 CCC(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000748023 [0,1,0,0,0,1|2,0,0]=4 958 B21R2.21291 CCC(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000748023 [0,1,0,0,0,1|2,0,0]=4 959 B21R2.21291 CCC(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000748023 [0,1,0,0,0,1|2,0,0]=4 960 B21R2.21291 CCC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100000209981_100009813428 [0,1,0,0,0,1|2,0,0]=4 961 B21R2.21291 CCC(C)NCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000758301 [0,1,0,0,0,1|2,0,0]=4 962 B21R2.21291 CCC(C)NCCC(c1ccccc1)c2ccccc2 34a_100000272388_100011215416 [0,1,0,0,0,1|2,0,0]=4 963 B21R2.21291 CCC(C)OCCC(c1ccccc1)c2ccccc2 34a_100000032380_100011215416 [0,1,0,0,0,1|2,0,0]=4 964 B21R2.21291 CCC(C)OCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000758301 [0,1,0,0,0,1|2,0,0]=4 965 B21R2.21291 CCC(C)OCCC(c1ccccc1)c2ccccc2 7a_100000210228_100009813428 [0,1,0,0,0,1|2,0,0]=4 966 B21R2.21291 CCC(C)SCCC(c1ccccc1)c2ccccc2 62a_100000758301_100009813428 [0,1,0,0,0,1|2,0,0]=4 967 B21R2.21291 CCC(C)SCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000758301 [0,1,0,0,0,1|2,0,0]=4 968 B21R2.21291 CCN(C)CCOC(c1ccccc1)c2ccccc2 2230a_100000225621_100000734929 [0,1,0,0,0,1|1,0,0]=3 969 B21R2.21291 CCN(C)CCOC(c1ccccc1)c2ccccc2 2230a_200016989109_100000210202 [0,1,0,0,0,1|1,0,0]=3 970 B21R2.21291 CCN(C)CCOC(c1ccccc1)c2ccccc2 269982a_100000225621_100000734929 [0,1,0,0,0,1|1,0,0]=3 971 B21R2.21291 CCN(C)CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_100000204670 [0,1,0,0,0,1|1,0,0]=3 972 B21R2.21291 CC[C@H](C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100009816398 [0,1,0,0,0,1|2,0,0]=4 973 B21R2.21291 CC[C@H](C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100009816398 [0,1,0,0,0,1|2,0,0]=4 974 B21R2.21291 CC[C@H](C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100009816398 [0,1,0,0,0,1|2,0,0]=4 975 B21R2.21291 CC[C@H](C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100009816398 [0,1,0,0,0,1|2,0,0]=4 976 B21R2.21291 CN(CF)CCOC(c1ccccc1)c2ccccc2 269982a_200016989109_100015361967 [0,1,0,0,0,1|1,0,0]=3 977 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000737683 [0,1,0,0,0,1|2,0,0]=4 978 B21R2.21291 CNC(=O)CCNC(c1ccccc1)c2ccccn2 270004a_100000738227_100000210380 [0,1,0,0,0,1|2,0,0]=4 979 B21R2.21291 CNC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000737683 [0,1,0,0,0,1|2,0,0]=4 980 B21R2.21291 COC(=O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000204255 [0,1,0,0,0,1|2,0,0]=4 981 B21R2.21291 COC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000204255 [0,1,0,0,0,1|2,0,0]=4 982 B21R2.21291 COC(C)CCOC(c1ccccc1)c2ccccc2 7a_100000764861_100011216954 [0,1,0,0,0,1|2,0,0]=4 983 B21R2.21291 COC(C)SCCC(c1ccccc1)c2ccccc2 62a_100009813428_100009879195 [0,1,0,0,0,1|2,0,0]=4 984 B21R2.21291 COC(C)SCCC(c1ccccc1)c2ccccc2 62a_100009879195_100009813428 [0,1,0,0,0,1|2,0,0]=4 985 B21R2.21291 C[C@@H](CO)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000059175 [0,1,0,0,0,1|2,0,0]=4 986 B21R2.21291 C[C@@H](CO)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000059175 [0,1,0,0,0,1|2,0,0]=4 987 B21R2.21291 C[C@@H](CO)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000059175 [0,1,0,0,0,1|2,0,0]=4 988 B21R2.21291 C[C@@H](CO)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000059175 [0,1,0,0,0,1|2,0,0]=4 989 B21R2.21291 C[C@H](CO)NCCC(c1ccccc1)c2ccccc2 2230a_100000737577_100009813428 [0,1,0,0,0,1|2,0,0]=4 990 B21R2.21291 C[C@H](CO)SCCC(c1ccccc1)c2ccccc2 62a_100009813428_100016084084 [0,1,0,0,0,1|2,0,0]=4 991 B21R2.21291 C[C@H](CO)SCCC(c1ccccc1)c2ccccc2 62a_100016084084_100009813428 [0,1,0,0,0,1|2,0,0]=4 992 B21R2.32761 CC(C)C(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000210198_100009813428 [0,1,0,0,0,1|2,0,0]=4 993 B21R2.32761 CC(C)C(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000753385 [0,1,0,0,0,1|1,0,1]=4 994 B21R2.32761 CC(C)C(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000753385 [0,1,0,0,0,1|1,0,1]=4 995 B21R2.32761 CC(C)C(O)CNC(c1ccccc1)c2ccccc2 2230a_100000759067_100000211591 [0,1,0,0,0,1|2,0,0]=4 996 B21R2.32761 CC(C)C(O)CNC(c1ccccc1)c2ccccc2 270004a_100000759067_100000210122 [0,1,0,0,0,1|2,0,0]=4 997 B21R2.32761 CC(C)C(O)CNC(c1ccccc1)c2ccccn2 270004a_100000759067_100000210380 [0,1,0,0,0,1|1,0,0]=3 998 B21R2.32761 CC(C)C(O)CNC(c1cccnc1)c2ccccn2 270004a_100000759067_100011376182 [0,1,0,0,0,1|2,0,0]=4 999 B21R2.32761 CC(C)N(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210206 [0,1,0,0,0,1|2,0,0]=4 1000 B21R2.32761 CC(C)N(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210206 [0,1,0,0,0,1|2,0,0]=4 1001 B21R2.32761 CC(C)N(C)CCC(c1ccccc1)c2ccccc2 269982a_200000211004_100009813428 [0,1,0,0,0,1|2,0,0]=4 1002 B21R2.32761 CC(C)N(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210206 [0,1,0,0,0,1|2,0,0]=4 1003 B21R2.32761 CN(C)C(=O)CCP(c1ccccc1)c2ccccc2 1626a_100102631434_100020644332 [0,1,0,0,0,1|2,0,0]=4 1004 B21R2.32761 CN(C)C(=O)CCP(c1ccccc1)c2ccccc2 240690a_100102631434_100020644332 [0,1,0,0,0,1|2,0,0]=4 1005 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000185267 [0,1,0,0,0,1|1,0,1]=4 1006 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccc2 2230a_100015183351_100000211591 [0,1,0,0,0,1|1,0,1]=4 1007 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccc2 270004a_100015183351_100000210122 [0,1,0,0,0,1|1,0,1]=4 1008 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000692301 [0,1,0,0,0,1|1,0,1]=4 1009 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000185267 [0,1,0,0,0,1|0,0,1]=3 1010 B21R2.32761 CN(C)C(=O)CNC(c1ccccc1)c2ccccn2 270004a_100015183351_100000210380 [0,1,0,0,0,1|0,0,1]=3 1011 B21R2.32761 CN(C)C(=O)CNC(c1cccnc1)c2ccccn2 270004a_100015183351_100011376182 [0,1,0,0,0,1|1,0,1]=4 1012 B21R2.32761 CN(C)C(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000692301 [0,1,0,0,0,1|1,0,1]=4 1013 B21R2.32761 CN(C)C(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000692301 [0,1,0,0,0,1|1,0,1]=4 1014 B21R2.32761 CN(C)C(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000692301 [0,1,0,0,0,1|0,0,1]=3 1015 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 11a_100102631434_100000683935 [0,1,0,0,0,1|1,0,1]=4 1016 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 1626a_100102631434_100000683935 [0,1,0,0,0,1|1,0,1]=4 1017 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 240690a_100102631434_100000683935 [0,1,0,0,0,1|1,0,1]=4 1018 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 527a_100102631434_100000683935 [0,1,0,0,0,1|1,0,1]=4 1019 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000692301 [0,1,0,0,0,1|1,0,1]=4 1020 B21R2.32761 CN(C)C(=O)CSC(c1ccccc1)c2ccccc2 62a_100000692301_100011216954 [0,1,0,0,0,1|1,0,1]=4 1021 B21R2.32761 CN(C)C(=O)NCC(c1ccccc1)c2ccccc2 2708a_100000739227_100102631434 [0,1,0,0,0,1|1,0,1]=4 1022 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000755188 [0,1,0,0,0,1|2,0,0]=4 1023 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000738805_100000211591 [0,1,0,0,0,1|2,0,0]=4 1024 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000738805_100000210122 [0,1,0,0,0,1|2,0,0]=4 1025 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000755188 [0,1,0,0,0,1|2,0,0]=4 1026 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000755188 [0,1,0,0,0,1|1,0,0]=3 1027 B21R2.38886 CC(C)(C)CCNC(c1ccccc1)c2ccccn2 270004a_100000738805_100000210380 [0,1,0,0,0,1|1,0,0]=3 1028 B21R2.38886 CC(C)(C)CCNC(c1cccnc1)c2ccccn2 270004a_100000738805_100011376182 [0,1,0,0,0,1|2,0,0]=4 1029 B21R2.38886 CC(C)(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000755188 [0,1,0,0,0,1|2,0,0]=4 1030 B21R2.38886 CC(C)(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000755188 [0,1,0,0,0,1|2,0,0]=4 1031 B21R2.38886 CC(C)(C)CCOC(c1ccccc1)c2ccccc2 7a_100000765024_100011216954 [0,1,0,0,0,1|2,0,0]=4 1032 B21R2.38886 CC(C)(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000755188 [0,1,0,0,0,1|1,0,0]=3 1033 B21R2.38886 CC(C)(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000755188 [0,1,0,0,0,1|2,0,0]=4 1034 B21R2.38886 CC(C)(C)CCSC(c1ccccc1)c2ccccc2 62a_100000755188_100011216954 [0,1,0,0,0,1|2,0,0]=4 1035 B21R2.38886 CC(C)(C)CNCC(c1ccccc1)c2ccccc2 270004a_100000739227_100011204126 [0,1,0,0,0,1|2,0,0]=4 1036 B21R2.38886 CC(C)(C)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011219605 [0,1,0,0,0,1|2,0,0]=4 1037 B21R2.38886 CC(C)(C)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100011219605 [0,1,0,0,0,1|2,0,0]=4 1038 B21R2.38886 CC(C)(C)NCCC(c1ccccc1)c2ccccc2 2230a_100000715429_100009813428 [0,1,0,0,0,1|2,0,0]=4 1039 B21R2.38886 CC(C)(C)NCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210625 [0,1,0,0,0,1|2,0,0]=4 1040 B21R2.38886 CC(C)(C)OCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210625 [0,1,0,0,0,1|2,0,0]=4 1041 B21R2.38886 CC(C)(C)OCCC(c1ccccc1)c2ccccc2 34a_100015890283_100009813428 [0,1,0,0,0,1|2,0,0]=4 1042 B21R2.38886 CC(C)(C)OCCC(c1ccccc1)c2ccccc2 7a_100015890283_100009813428 [0,1,0,0,0,1|2,0,0]=4 1043 B21R2.38886 CC(C)(C)SCCC(c1ccccc1)c2ccccc2 62a_100000211941_100009813428 [0,1,0,0,0,1|2,0,0]=4 1044 B21R2.38886 CC(C)(C)SCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000211941 [0,1,0,0,0,1|2,0,0]=4 1045 B21R2.38886 CC(C)(F)CCNC(c1ccccc1)c2ccccc2 2230a_100016253952_100000211591 [0,1,0,0,0,1|2,0,0]=4 1046 B21R2.38886 CC(C)(F)CCNC(c1ccccc1)c2ccccc2 270004a_100016253952_100000210122 [0,1,0,0,0,1|2,0,0]=4 1047 B21R2.38886 CC(C)(F)CCNC(c1ccccc1)c2ccccn2 270004a_100016253952_100000210380 [0,1,0,0,0,1|1,0,0]=3 1048 B21R2.38886 CC(C)(F)CCNC(c1cccnc1)c2ccccn2 270004a_100016253952_100011376182 [0,1,0,0,0,1|2,0,0]=4 1049 B21R2.38886 CC(C)(F)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100011997219 [0,1,0,0,0,1|2,0,0]=4 1050 B21R2.38886 CC(C)(F)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100011997219 [0,1,0,0,0,1|2,0,0]=4 1051 B21R2.38886 CC(C)(O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000702414 [0,1,0,0,0,1|2,0,0]=4 1052 B21R2.38886 CC(C)(O)CCNC(c1ccccc1)c2ccccc2 270004a_100000707701_100000210122 [0,1,0,0,0,1|2,0,0]=4 1053 B21R2.38886 CC(C)(O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000702414 [0,1,0,0,0,1|2,0,0]=4 1054 B21R2.38886 CC(C)(O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000702414 [0,1,0,0,0,1|1,0,0]=3 1055 B21R2.38886 CC(C)(O)CCNC(c1ccccc1)c2ccccn2 270004a_100000707701_100000210380 [0,1,0,0,0,1|1,0,0]=3 1056 B21R2.38886 CC(C)(O)CCNC(c1cccnc1)c2ccccn2 270004a_100000707701_100011376182 [0,1,0,0,0,1|2,0,0]=4 1057 B21R2.38886 CC(C)(O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000702414 [0,1,0,0,0,1|2,0,0]=4 1058 B21R2.38886 CC(C)(O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000702414 [0,1,0,0,0,1|2,0,0]=4 1059 B21R2.38886 CC(C)(O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000702414 [0,1,0,0,0,1|1,0,0]=3 1060 B21R2.38886 CC(C)(O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000702414 [0,1,0,0,0,1|2,0,0]=4 1061 B21R2.38886 CC(C)(O)CCSC(c1ccccc1)c2ccccc2 62a_100000702414_100011216954 [0,1,0,0,0,1|2,0,0]=4 1062 B21R2.38886 CC(C)(O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000764493 [0,1,0,0,0,1|2,0,0]=4 1063 B21R2.38886 CC(C)(O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000764493 [0,1,0,0,0,1|2,0,0]=4 1064 B21R2.38886 CC(C)(O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000764493 [0,1,0,0,0,1|2,0,0]=4 1065 B21R2.38886 CS(=O)(=O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000731031 [0,1,0,0,0,1|2,0,0]=4 1066 B21R2.38886 CS(=O)(=O)CCNC(c1ccccc1)c2ccccn2 270004a_100000740961_100000210380 [0,1,0,0,0,1|2,0,0]=4 1067 B21R2.38886 CS(=O)(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000230027 [0,1,0,0,0,1|2,0,0]=4 1068 B21R2.38886 C[N+](C)(C)CCNC(c1ccccc1)c2ccccc2 270004a_100000106457_100000210122 [0,1,0,0,0,1|1,0,1]=4 1069 B21R2.38886 C[N+](C)(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000085578 [0,1,0,0,0,1|1,0,1]=4 1070 B21R2.38886 C[N+](C)(C)CCNC(c1ccccc1)c2ccccn2 270004a_100000106457_100000210380 [0,1,0,0,0,1|0,0,1]=3 1071 B21R2.38886 C[N+](C)(C)CCNC(c1cccnc1)c2ccccn2 270004a_100000106457_100011376182 [0,1,0,0,0,1|1,0,1]=4 1072 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000085578 [0,1,0,0,0,1|1,0,1]=4 1073 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000085578 [0,1,0,0,0,1|1,0,1]=4 1074 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2 7a_200020618287_100011216954 [0,1,0,0,0,1|1,0,1]=4 1075 B21R2.38886 C[N+](C)(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000085578 [0,1,0,0,0,1|0,0,1]=3 1076 B21R2.38886 C[N+](C)(C)CCSC(c1ccccc1)c2ccccc2 62a_100000085578_100011216954 [0,1,0,0,0,1|1,0,1]=4 1077 B21R2.38886 C[N+](C)(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000085578 [0,1,0,0,0,1|1,0,1]=4 1078 B21R2.38886 C[Si](C)(C)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200000733723 [0,1,0,0,0,1|2,0,0]=4 1079 B21R2.38886 C[Si](C)(C)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_200000733723 [0,1,0,0,0,1|2,0,0]=4 1080 B21R2.38886 C[Si](C)(C)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_200000733723 [0,1,0,0,0,1|1,0,0]=3 1081 B21R2.38886 C[Si](C)(C)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_200000733723 [0,1,0,0,0,1|2,0,0]=4 1082 B21R2.38886 C[Si](C)(C)CCOC(c1ccccc1)c2ccccc2 7a_100000039746_100011216954 [0,1,0,0,0,1|2,0,0]=4 1083 B21R2.38886 C[Si](C)(C)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_200000733723 [0,1,0,0,0,1|2,0,0]=4 1084 B21R2.38886 C[Si](C)(C)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_200000733723 [0,1,0,0,0,1|1,0,0]=3 1085 B21R2.38886 C[Si](C)(C)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_200000733723 [0,1,0,0,0,1|2,0,0]=4 1086 B21R2.38886 C[Si](C)(C)CCSC(c1ccccc1)c2ccccc2 62a_200000733723_100011216954 [0,1,0,0,0,1|2,0,0]=4 1087 B21R2.38886 C[Si](C)(C)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000037933 [0,1,0,0,0,1|2,0,0]=4 1088 B21R2.38886 C[Si](C)(C)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000233785 [0,1,0,0,0,1|2,0,0]=4 1089 B21R2.97772 CC(C)CC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000210624 [0,1,0,0,0,1|2,0,0]=4 1090 B21R2.97772 CC(C)CC(=O)NC(c1ccccc1)c2ccccn2 11a_100000689936_100000210554 [0,1,0,0,0,1|1,0,1]=4 1091 B21R2.97772 CC(C)CC(=O)NC(c1ccccc1)c2ccccn2 1626a_100000689936_100000210554 [0,1,0,0,0,1|1,0,1]=4 1092 B21R2.97772 CC(C)CC(=O)NC(c1ccccc1)c2ccccn2 240690a_100000689936_100000210554 [0,1,0,0,0,1|1,0,1]=4 1093 B21R2.97772 CC(C)CC(=O)NC(c1ccccc1)c2ccccn2 527a_100000689936_100000210554 [0,1,0,0,0,1|1,0,1]=4 1094 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100000731052 [0,1,0,0,0,1|2,0,0]=4 1095 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccc2 2230a_100000692259_100000211591 [0,1,0,0,0,1|2,0,0]=4 1096 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccc2 270004a_100000692259_100000210122 [0,1,0,0,0,1|2,0,0]=4 1097 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccc2 34a_100000162943_100000731052 [0,1,0,0,0,1|2,0,0]=4 1098 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100000731052 [0,1,0,0,0,1|1,0,0]=3 1099 B21R2.97772 CC(C)CC(C)NC(c1ccccc1)c2ccccn2 270004a_100000692259_100000210380 [0,1,0,0,0,1|1,0,0]=3 1100 B21R2.97772 CC(C)CC(C)NC(c1cccnc1)c2ccccn2 270004a_100000692259_100011376182 [0,1,0,0,0,1|2,0,0]=4 1101 B21R2.97772 CC(C)CC(C)OC(c1ccccc1)c2ccccc2 34a_100000211180_100000731052 [0,1,0,0,0,1|2,0,0]=4 1102 B21R2.97772 CC(C)CC(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000731052 [0,1,0,0,0,1|2,0,0]=4 1103 B21R2.97772 CC(C)CC(C)OC(c1ccccc1)c2ccccc2 7a_100000211805_100011216954 [0,1,0,0,0,1|2,0,0]=4 1104 B21R2.97772 CC(C)CC(C)OC(c1ccccc1)c2ccccn2 7a_100000180852_100000731052 [0,1,0,0,0,1|1,0,0]=3 1105 B21R2.97772 CC(C)CC(C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100000731052 [0,1,0,0,0,1|2,0,0]=4 1106 B21R2.97772 CC(C)CC(C)SC(c1ccccc1)c2ccccc2 62a_100000731052_100011216954 [0,1,0,0,0,1|2,0,0]=4 1107 B21R2.97772 CC(CN(C)C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100020606517 [0,1,0,0,0,1|1,0,0]=3 1108 B21R2.97772 CC(CN(C)C)SC(c1ccccc1)c2ccccc2 62a_100020606517_100011216954 [0,1,0,0,0,1|1,0,0]=3 1109 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000750896 [0,1,0,0,0,1|1,0,1]=4 1110 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000750896 [0,1,0,0,0,1|1,0,1]=4 1111 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000750896 [0,1,0,0,0,1|1,0,1]=4 1112 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccn2 11a_100000689936_100000750896 [0,1,0,0,0,1|0,0,1]=3 1113 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccn2 240690a_100000689936_100000750896 [0,1,0,0,0,1|0,0,1]=3 1114 B21R2.97772 CN(C)CC(=O)NC(c1ccccc1)c2ccccn2 527a_100000689936_100000750896 [0,1,0,0,0,1|0,0,1]=3 1115 B21R2.97772 CN(C)CC(=O)NC(c1ccccn1)c2ccccn2 11a_100009954364_100000750896 [0,1,0,0,0,1|1,0,1]=4 1116 B21R2.97772 CN(C)CC(=O)NC(c1ccccn1)c2ccccn2 240690a_100009954364_100000750896 [0,1,0,0,0,1|1,0,1]=4 1117 B21R2.97772 CN(C)CC(=O)NC(c1ccccn1)c2ccccn2 527a_100009954364_100000750896 [0,1,0,0,0,1|1,0,1]=4 1118 B21R2.97772 C[S+](C)CC(=O)NC(c1ccccc1)c2ccccn2 11a_100000689936_200159257847 [0,1,0,0,0,1|1,0,1]=4 1119 B21R2.97772 C[S+](C)CC(=O)NC(c1ccccc1)c2ccccn2 1626a_100000689936_200159257847 [0,1,0,0,0,1|1,0,1]=4 1120 B21R2.97772 C[S+](C)CC(=O)NC(c1ccccc1)c2ccccn2 240690a_100000689936_200159257847 [0,1,0,0,0,1|1,0,1]=4 1121 B21R2.97772 C[S+](C)CC(=O)NC(c1ccccc1)c2ccccn2 527a_100000689936_200159257847 [0,1,0,0,0,1|1,0,1]=4 1122 B21R2.103739 CC(=CCNC(c1cccc(c1)Cl)c2ccccn2)C 270004a_100000718196_100000688346 [0,1,0,0,0,1|1,0,1]=4 1123 B21R2.103739 CC(C)CCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000210545_100000688346 [0,1,0,0,0,1|1,0,0]=3 1124 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000210312 [0,1,0,0,0,1|2,0,0]=4 1125 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)Br 269862a_100011212009_100000185833 [0,1,0,0,0,1|2,0,0]=4 1126 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000210545_100011267660 [0,1,0,0,0,1|2,0,0]=4 1127 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000210312 [0,1,0,0,0,1|2,0,0]=4 1128 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000210312 [0,1,0,0,0,1|2,0,0]=4 1129 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)Cl 269862a_100000741085_100000185833 [0,1,0,0,0,1|2,0,0]=4 1130 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000210545_100011215489 [0,1,0,0,0,1|2,0,0]=4 1131 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000210312 [0,1,0,0,0,1|2,0,0]=4 1132 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000210312 [0,1,0,0,0,1|2,0,0]=4 1133 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)F 269862a_100000686443_100000185833 [0,1,0,0,0,1|2,0,0]=4 1134 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)F 270004a_100000210545_200011219850 [0,1,0,0,0,1|2,0,0]=4 1135 B21R2.103739 CC(C)CCNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000210312 [0,1,0,0,0,1|2,0,0]=4 1136 B21R2.103739 CC(C)CCOC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000210312 [0,1,0,0,0,1|2,0,0]=4 1137 B21R2.103739 CC(C)CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000210626 [0,1,0,0,0,1|2,0,0]=4 1138 B21R2.103739 CC(C)CCOC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000210312 [0,1,0,0,0,1|2,0,0]=4 1139 B21R2.103739 CC(C)CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000210626 [0,1,0,0,0,1|2,0,0]=4 1140 B21R2.103739 CC(O)CCNC(c1cccc(c1)Cl)c2ccccn2 270004a_200000755665_100000688346 [0,1,0,0,0,1|2,0,0]=4 1141 B21R2.103739 CN(C)CCNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000210585_100000688346 [0,1,0,0,0,1|0,0,0]=2 1142 B21R2.103739 CN(C)CCNC(c1ccccc1)c2cccc(c2)Br 270004a_100000210585_100011267660 [0,1,0,0,0,1|1,0,0]=3 1143 B21R2.103739 CN(C)CCNC(c1ccccc1)c2cccc(c2)Cl 270004a_100000210585_100011215489 [0,1,0,0,0,1|1,0,0]=3 1144 B21R2.103739 CN(C)CCNC(c1ccccc1)c2cccc(c2)F 270004a_100000210585_200011219850 [0,1,0,0,0,1|1,0,0]=3 1145 B21R2.103739 CN(C)CCNC(c1ccccc1)c2cncc(c2)Br 270004a_100000210585_100011267668 [0,1,0,0,0,1|2,0,0]=4 1146 B21R2.103739 CN(C)CCNC(c1cccnc1)c2cccc(c2)Cl 270004a_100000210585_100000752423 [0,1,0,0,0,1|2,0,0]=4 1147 B21R2.103739 CN(C)CCOC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000755713 [0,1,0,0,0,1|1,0,0]=3 1148 B21R2.103739 CN(C)CCOC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000755713 [0,1,0,0,0,1|1,0,0]=3 1149 B21R2.103739 Cc1cccc(c1)C(NCCC(C)C)c2ccccc2 270004a_100000210545_100011217825 [0,1,0,0,0,1|2,0,0]=4 1150 B21R2.103739 Cc1cccc(c1)C(NCCN(C)C)c2ccccc2 270004a_100000210585_100011217825 [0,1,0,0,0,1|1,0,0]=3 1151 B21R2.205989 CC(=CCNC(c1ccccn1)c2ccccc2Cl)C 270004a_100000718196_100011400554 [0,1,0,0,0,1|1,0,1]=4 1152 B21R2.205989 CC(C)CCNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000210312 [0,1,0,0,0,1|2,0,0]=4 1153 B21R2.205989 CC(C)CCNC(c1ccccc1)c2ccccc2Br 269862a_100011211563_100000185833 [0,1,0,0,0,1|2,0,0]=4 1154 B21R2.205989 CC(C)CCNC(c1ccccc1)c2ccccc2Br 270004a_100000210545_100000198044 [0,1,0,0,0,1|2,0,0]=4 1155 B21R2.205989 CC(C)CCNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000210312 [0,1,0,0,0,1|2,0,0]=4 1156 B21R2.205989 CC(C)CCNC(c1ccccc1)c2ccccc2Cl 270004a_100000210545_100011215288 [0,1,0,0,0,1|2,0,0]=4 1157 B21R2.205989 CC(C)CCNC(c1ccccc1)c2ccccc2F 270004a_100000210545_100011217773 [0,1,0,0,0,1|2,0,0]=4 1158 B21R2.205989 CC(C)CCNC(c1ccccn1)c2ccccc2Cl 270004a_100000210545_100011400554 [0,1,0,0,0,1|1,0,0]=3 1159 B21R2.205989 CC(C)CCOC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000210312 [0,1,0,0,0,1|2,0,0]=4 1160 B21R2.205989 CC(C)CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000210626 [0,1,0,0,0,1|2,0,0]=4 1161 B21R2.205989 CC(C)CCOC(c1ccccc1)c2ccccc2N 34a_100000246470_100000210312 [0,1,0,0,0,1|2,0,0]=4 1162 B21R2.205989 CC(C)CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000210626 [0,1,0,0,0,1|2,0,0]=4 1163 B21R2.205989 CC(O)CCNC(c1ccccn1)c2ccccc2Cl 270004a_200000755665_100011400554 [0,1,0,0,0,1|2,0,0]=4 1164 B21R2.205989 CN(C)CCNC(c1ccccc1)c2ccccc2Br 270004a_100000210585_100000198044 [0,1,0,0,0,1|1,0,0]=3 1165 B21R2.205989 CN(C)CCNC(c1ccccc1)c2ccccc2Cl 270004a_100000210585_100011215288 [0,1,0,0,0,1|1,0,0]=3 1166 B21R2.205989 CN(C)CCNC(c1ccccc1)c2ccccc2F 270004a_100000210585_100011217773 [0,1,0,0,0,1|1,0,0]=3 1167 B21R2.205989 CN(C)CCNC(c1ccccn1)c2ccccc2Cl 270004a_100000210585_100011400554 [0,1,0,0,0,1|0,0,0]=2 1168 B21R2.205989 CN(C)CCNC(c1cccnc1)c2ccccc2Br 270004a_100000210585_100011532686 [0,1,0,0,0,1|2,0,0]=4 1169 B21R2.205989 CN(C)CCNC(c1cccnc1)c2ccccc2Cl 270004a_100000210585_200011400555 [0,1,0,0,0,1|2,0,0]=4 1170 B21R2.205989 CN(C)CCOC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000755713 [0,1,0,0,0,1|1,0,0]=3 1171 B21R2.205989 CN(C)CCOC(c1ccccc1)c2ccccc2N 7a_100000246470_100000755713 [0,1,0,0,0,1|1,0,0]=3 1172 B21R2.205989 Cc1ccccc1C(NCCC(C)C)c2ccccc2 2230a_100000222801_100000210312 [0,1,0,0,0,1|2,0,0]=4 1173 B21R2.205989 Cc1ccccc1C(NCCC(C)C)c2ccccc2 269862a_100000222801_100000185833 [0,1,0,0,0,1|2,0,0]=4 1174 B21R2.205989 Cc1ccccc1C(NCCC(C)C)c2ccccc2 270004a_100000210545_100000735561 [0,1,0,0,0,1|2,0,0]=4 1175 B21R2.205989 Cc1ccccc1C(NCCC(C)C)c2ccccc2 34a_100000222801_100000210312 [0,1,0,0,0,1|2,0,0]=4 1176 B21R2.205989 Cc1ccccc1C(NCCN(C)C)c2ccccc2 270004a_100000210585_100000735561 [0,1,0,0,0,1|1,0,0]=3 1177 B21R2.205989 Cc1ccccc1C(OCCC(C)C)c2ccccc2 34a_100000212071_100000210312 [0,1,0,0,0,1|2,0,0]=4 1178 B21R2.205989 Cc1ccccc1C(OCCC(C)C)c2ccccc2 7a_100000210254_100000230135 [0,1,0,0,0,1|2,0,0]=4 1179 B21R2.205989 Cc1ccccc1C(OCCC(C)C)c2ccccc2 7a_100000212071_100000210626 [0,1,0,0,0,1|2,0,0]=4 1180 B21R2.205989 Cc1ccccc1C(OCCN(C)C)c2ccccc2 7a_100000212071_100000755713 [0,1,0,0,0,1|1,0,0]=3 1181 B21R2.205989 Cc1ccccc1C(SCCC(C)C)c2ccccc2 62a_100000210312_100000230135 [0,1,0,0,0,1|2,0,0]=4 1182 B21R2.205989 Cc1ccccc1C(SCCC(C)C)c2ccccc2 62a_100000230135_100000210312 [0,1,0,0,0,1|2,0,0]=4 1183 B21R2.205989 Cc1ccccc1C(SCCN(C)C)c2ccccc2 62a_100000230135_100000755713 [0,1,0,0,0,1|1,0,0]=3 1184 B21R2.252285 C=C(C)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000730704 [0,1,0,0,0,1|1,0,1]=4 1185 B21R2.252285 CC(=CCOC(C)(c1ccccc1)c2ccccn2)C 7a_200000075192_100000761012 [0,1,0,0,0,1|1,0,1]=4 1186 B21R2.252285 CC(=O)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000053229 [0,1,0,0,0,1|2,0,0]=4 1187 B21R2.252285 CC(C)CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000210626 [0,1,0,0,0,1|2,0,0]=4 1188 B21R2.252285 CC(C)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000210626 [0,1,0,0,0,1|1,0,0]=3 1189 B21R2.252285 CC(C)CNCC(C)(c1ccccc1)c2ccccc2 2230a_100000706881_100000210760 [0,1,0,0,0,1|2,0,0]=4 1190 B21R2.252285 CC(C)CNCC(C)(c1ccccc1)c2ccccc2 270004a_100000706881_100000210432 [0,1,0,0,0,1|2,0,0]=4 1191 B21R2.252285 CC(O)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100012276601 [0,1,0,0,0,1|2,0,0]=4 1192 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccc2 7a_100011202337_100000755713 [0,1,0,0,0,1|1,0,0]=3 1193 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000755713 [0,1,0,0,0,1|0,0,0]=2 1194 B21R2.366996 C=C(C)CCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000730704 [0,1,0,0,0,1|1,0,1]=4 1195 B21R2.366996 C=C(C)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000730704_200010188304 [0,1,0,0,0,1|1,0,1]=4 1196 B21R2.366996 C=C(C)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000730704 [0,1,0,0,0,1|1,0,1]=4 1197 B21R2.366996 CC(=CCNC(c1ccc(cc1)Br)c2ccccn2)C 270004a_100000718196_200010179208 [0,1,0,0,0,1|1,0,1]=4 1198 B21R2.366996 CC(=CCNC(c1ccc(cc1)Cl)c2ccccn2)C 270004a_100000718196_100000753647 [0,1,0,0,0,1|1,0,1]=4 1199 B21R2.366996 CC(=CCOC(c1ccc(cc1)Cl)c2ccccn2)C 34a_100000242608_100000761012 [0,1,0,0,0,1|1,0,1]=4 1200 B21R2.366996 CC(=CCSC(c1ccc(cc1)Cl)c2ccccn2)C 62a_100000761012_200010188304 [0,1,0,0,0,1|1,0,1]=4 1201 B21R2.366996 CC(=CCSC(c1ccc(cc1)Cl)c2ccccn2)C 62a_200010188304_100000761012 [0,1,0,0,0,1|1,0,1]=4 1202 B21R2.366996 CC(=O)CCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000759926_200010188304 [0,1,0,0,0,1|2,0,0]=4 1203 B21R2.366996 CC(=O)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000053229_200010188304 [0,1,0,0,0,1|2,0,0]=4 1204 B21R2.366996 CC(=O)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000053229 [0,1,0,0,0,1|2,0,0]=4 1205 B21R2.366996 CC(C)CCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000210545_200010179208 [0,1,0,0,0,1|1,0,0]=3 1206 B21R2.366996 CC(C)CCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000210545_100000753647 [0,1,0,0,0,1|1,0,0]=3 1207 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000210312 [0,1,0,0,0,1|2,0,0]=4 1208 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)Br 269862a_100000745999_100000185833 [0,1,0,0,0,1|2,0,0]=4 1209 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000210545_100000718703 [0,1,0,0,0,1|2,0,0]=4 1210 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000210312 [0,1,0,0,0,1|2,0,0]=4 1211 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000210312 [0,1,0,0,0,1|2,0,0]=4 1212 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)Cl 269862a_100000737946_100000185833 [0,1,0,0,0,1|2,0,0]=4 1213 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000210545_100000211064 [0,1,0,0,0,1|2,0,0]=4 1214 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000210312 [0,1,0,0,0,1|2,0,0]=4 1215 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000210312 [0,1,0,0,0,1|2,0,0]=4 1216 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)F 269862a_100000737529_100000185833 [0,1,0,0,0,1|2,0,0]=4 1217 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000210545_100000210425 [0,1,0,0,0,1|2,0,0]=4 1218 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000210312 [0,1,0,0,0,1|2,0,0]=4 1219 B21R2.366996 CC(C)CCNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000210312 [0,1,0,0,0,1|2,0,0]=4 1220 B21R2.366996 CC(C)CCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000210312 [0,1,0,0,0,1|1,0,0]=3 1221 B21R2.366996 CC(C)CCOC(c1ccc(cc1)Cl)c2ccccn2 7a_100000210254_200010188304 [0,1,0,0,0,1|1,0,0]=3 1222 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000210312 [0,1,0,0,0,1|2,0,0]=4 1223 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000210626 [0,1,0,0,0,1|2,0,0]=4 1224 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000210312 [0,1,0,0,0,1|2,0,0]=4 1225 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000210254_100000211669 [0,1,0,0,0,1|2,0,0]=4 1226 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000210626 [0,1,0,0,0,1|2,0,0]=4 1227 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000210312 [0,1,0,0,0,1|2,0,0]=4 1228 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000210626 [0,1,0,0,0,1|2,0,0]=4 1229 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000210312 [0,1,0,0,0,1|2,0,0]=4 1230 B21R2.366996 CC(C)CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000210626 [0,1,0,0,0,1|2,0,0]=4 1231 B21R2.366996 CC(C)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000210312_200010188304 [0,1,0,0,0,1|1,0,0]=3 1232 B21R2.366996 CC(C)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000210312 [0,1,0,0,0,1|1,0,0]=3 1233 B21R2.366996 CC(C)OCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000709892 [0,1,0,0,0,1|2,0,0]=4 1234 B21R2.366996 CC(C)OCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000709892_200010188304 [0,1,0,0,0,1|2,0,0]=4 1235 B21R2.366996 CC(C)OCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000709892 [0,1,0,0,0,1|2,0,0]=4 1236 B21R2.366996 CC(O)CCNC(c1ccc(cc1)Br)c2ccccn2 270004a_200000755665_200010179208 [0,1,0,0,0,1|2,0,0]=4 1237 B21R2.366996 CC(O)CCNC(c1ccc(cc1)Cl)c2ccccn2 2230a_200000755665_200010188304 [0,1,0,0,0,1|2,0,0]=4 1238 B21R2.366996 CC(O)CCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_200000755665_100000753647 [0,1,0,0,0,1|2,0,0]=4 1239 B21R2.366996 CC(O)CCOC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100012276601 [0,1,0,0,0,1|2,0,0]=4 1240 B21R2.366996 CC(O)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_100012276601_200010188304 [0,1,0,0,0,1|2,0,0]=4 1241 B21R2.366996 CC(O)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100012276601 [0,1,0,0,0,1|2,0,0]=4 1242 B21R2.366996 CN(C)CCNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000210585_200010179208 [0,1,0,0,0,1|0,0,0]=2 1243 B21R2.366996 CN(C)CCNC(c1ccc(cc1)Br)c2cccnc2 270004a_100000210585_100000753996 [0,1,0,0,0,1|2,0,0]=4 1244 B21R2.366996 CN(C)CCNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000210585_100000753647 [0,1,0,0,0,1|0,0,0]=2 1245 B21R2.366996 CN(C)CCNC(c1ccc(cc1)Cl)c2cccnc2 270004a_100000210585_100000753233 [0,1,0,0,0,1|2,0,0]=4 1246 B21R2.366996 CN(C)CCNC(c1ccccc1)c2ccc(cc2)Br 270004a_100000210585_100000718703 [0,1,0,0,0,1|1,0,0]=3 1247 B21R2.366996 CN(C)CCNC(c1ccccc1)c2ccc(cc2)Cl 270004a_100000210585_100000211064 [0,1,0,0,0,1|1,0,0]=3 1248 B21R2.366996 CN(C)CCNC(c1ccccc1)c2ccc(cc2)F 270004a_100000210585_100000210425 [0,1,0,0,0,1|1,0,0]=3 1249 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000755713 [0,1,0,0,0,1|1,0,0]=3 1250 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000755713 [0,1,0,0,0,1|1,0,0]=3 1251 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000755713 [0,1,0,0,0,1|1,0,0]=3 1252 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000755713 [0,1,0,0,0,1|1,0,0]=3 1253 B21R2.366996 CN(C)CCSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000755713 [0,1,0,0,0,1|0,0,0]=2 1254 B21R2.366996 CN(C)CCSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000755713 [0,1,0,0,0,1|1,0,0]=3 1255 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)C)c2ccccc2 2230a_100000736602_100000210312 [0,1,0,0,0,1|2,0,0]=4 1256 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)C)c2ccccc2 269862a_100000736602_100000185833 [0,1,0,0,0,1|2,0,0]=4 1257 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)C)c2ccccc2 270004a_100000210545_100000210966 [0,1,0,0,0,1|2,0,0]=4 1258 B21R2.366996 Cc1ccc(cc1)C(NCCC(C)C)c2ccccc2 34a_100000736602_100000210312 [0,1,0,0,0,1|2,0,0]=4 1259 B21R2.366996 Cc1ccc(cc1)C(NCCN(C)C)c2ccccc2 270004a_100000210585_100000210966 [0,1,0,0,0,1|1,0,0]=3 1260 B21R2.366996 Cc1ccc(cc1)C(OCCC(C)C)c2ccccc2 34a_100000212064_100000210312 [0,1,0,0,0,1|2,0,0]=4 1261 B21R2.366996 Cc1ccc(cc1)C(OCCC(C)C)c2ccccc2 7a_100000212064_100000210626 [0,1,0,0,0,1|2,0,0]=4 1262 B21R2.366996 Cc1ccc(cc1)C(OCCN(C)C)c2ccccc2 7a_100000212064_100000755713 [0,1,0,0,0,1|1,0,0]=3 1263 B21R2.402445 CC(C)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000181311_100011216954 [0,1,0,0,0,1|2,0,0]=4 1264 B21R2.402445 CC(C)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210312 [0,1,0,0,0,1|2,0,0]=4 1265 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 2230a_100000742789_100000211591 [0,1,0,0,0,1|2,0,0]=4 1266 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210312 [0,1,0,0,0,1|2,0,0]=4 1267 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100000742789_100000211591 [0,1,0,0,0,1|2,0,0]=4 1268 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210312 [0,1,0,0,0,1|2,0,0]=4 1269 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccc2 270004a_100000742789_100000210122 [0,1,0,0,0,1|2,0,0]=4 1270 B21R2.402445 CC(C)CCN(C)C(c1ccccc1)c2ccccn2 270004a_100000742789_100000210380 [0,1,0,0,0,1|1,0,0]=3 1271 B21R2.402445 CC(C)CCN(C)C(c1cccnc1)c2ccccn2 270004a_100000742789_100011376182 [0,1,0,0,0,1|2,0,0]=4 1272 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100000225618_100000211591 [0,1,0,0,0,1|1,0,0]=3 1273 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000755713 [0,1,0,0,0,1|1,0,0]=3 1274 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2ccccc2 270004a_100000225618_100000210122 [0,1,0,0,0,1|1,0,0]=3 1275 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2ccccn2 270004a_100000225618_100000210380 [0,1,0,0,0,1|0,0,0]=2 1276 B21R2.402445 CN(C)CCN(C)C(c1ccccc1)c2cccnc2 270004a_100000225618_100000735413 [0,1,0,0,0,1|2,0,0]=4 1277 B21R2.402445 CN(C)CCN(C)C(c1cccnc1)c2ccccn2 270004a_100000225618_100011376182 [0,1,0,0,0,1|1,0,0]=3 1278 B21R2.402445 CN(C)CCN(C)C(c1cccnc1)c2cnccn2 270004a_100000225618_100000732570 [0,1,0,0,0,1|2,0,0]=4 1279 B21R2.402445 C[S+](C)CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100009452791_100011216954 [0,1,0,0,0,1|2,0,0]=4 1280 B21R2.541 C#CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000225692_100009813428 [0,2,0,0,0,0|1,0,0]=3 1281 B21R2.541 C#CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000038162 [0,2,0,0,0,0|1,0,0]=3 1282 B21R2.541 C#CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100000225692_100009813428 [0,2,0,0,0,0|1,0,0]=3 1283 B21R2.541 C#CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000184674 [0,2,0,0,0,0|1,0,0]=3 1284 B21R2.541 C#CCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000225692_100010140906 [0,2,0,0,0,0|2,0,0]=4 1285 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000225617_100009813428 [0,2,0,0,0,0|1,0,0]=3 1286 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210623 [0,2,0,0,0,0|1,0,0]=3 1287 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000225617_100009813428 [0,2,0,0,0,0|1,0,0]=3 1288 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210623 [0,2,0,0,0,0|1,0,0]=3 1289 B21R2.541 C=CCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100015514636 [0,2,0,0,0,0|1,0,0]=3 1290 B21R2.541 C=CCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000225617_100010140906 [0,2,0,0,0,0|2,0,0]=4 1291 B21R2.541 C=CCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000225617_100010140906 [0,2,0,0,0,0|2,0,0]=4 1292 B21R2.541 CCCC(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011216630 [0,2,0,0,0,0|2,0,0]=4 1293 B21R2.541 CCCC(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100000243154 [0,2,0,0,0,0|2,0,0]=4 1294 B21R2.541 CCCC(C)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011216630 [0,2,0,0,0,0|2,0,0]=4 1295 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100000747261_100009813428 [0,2,0,0,0,0|1,0,0]=3 1296 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000210303 [0,2,0,0,0,0|1,0,0]=3 1297 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100000747261_100009813428 [0,2,0,0,0,0|1,0,0]=3 1298 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000210303 [0,2,0,0,0,0|1,0,0]=3 1299 B21R2.541 CCCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000210303 [0,2,0,0,0,0|1,0,0]=3 1300 B21R2.541 CCCN(C)CC[S+](c1ccccc1)c2ccccc2 2230a_100000747261_100010140906 [0,2,0,0,0,0|2,0,0]=4 1301 B21R2.541 CCCN(C)CC[S+](c1ccccc1)c2ccccc2 269982a_100000747261_100010140906 [0,2,0,0,0,0|2,0,0]=4 1302 B21R2.541 CN(CC#N)CCC(c1ccccc1)c2ccccc2 2230a_100000748184_100009813428 [0,2,0,0,0,0|1,0,0]=3 1303 B21R2.541 CN(CC#N)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011215382 [0,2,0,0,0,0|1,0,0]=3 1304 B21R2.541 CN(CC#N)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011214920 [0,2,0,0,0,0|1,0,0]=3 1305 B21R2.541 CN(CC#N)CC[S+](c1ccccc1)c2ccccc2 2230a_100000748184_100010140906 [0,2,0,0,0,0|2,0,0]=4 1306 B21R2.541 CN(CC=O)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_200015260668 [0,2,0,0,0,0|1,0,0]=3 1307 B21R2.541 CN(CC=O)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_200015260668 [0,2,0,0,0,0|1,0,0]=3 1308 B21R2.541 CN(CC=O)CCC(c1ccccc1)c2ccccc2 34a_100025726140_200009817547 [0,2,0,0,0,0|1,0,0]=3 1309 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011217306 [0,2,0,0,0,0|1,0,0]=3 1310 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011217306 [0,2,0,0,0,0|1,0,0]=3 1311 B21R2.541 CN(CCF)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011217306 [0,2,0,0,0,0|1,0,0]=3 1312 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100000210263_100009813428 [0,2,0,0,0,0|1,0,0]=3 1313 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000211926 [0,2,0,0,0,0|1,0,0]=3 1314 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100000210263_100009813428 [0,2,0,0,0,0|1,0,0]=3 1315 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000211926 [0,2,0,0,0,0|1,0,0]=3 1316 B21R2.541 CN(CCO)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100000211926 [0,2,0,0,0,0|1,0,0]=3 1317 B21R2.541 CN(CCO)CC[S+](c1ccccc1)c2ccccc2 2230a_100000210263_100010140906 [0,2,0,0,0,0|2,0,0]=4 1318 B21R2.541 CN(CCO)CC[S+](c1ccccc1)c2ccccc2 269982a_100000210263_100010140906 [0,2,0,0,0,0|2,0,0]=4 1319 B21R2.541 COCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100000766300 [0,2,0,0,0,0|1,0,0]=3 1320 B21R2.541 COCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100000766300 [0,2,0,0,0,0|1,0,0]=3 1321 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 2230a_100025726140_100011218213 [0,2,0,0,0,0|1,0,0]=3 1322 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 269982a_100025726140_100011218213 [0,2,0,0,0,0|1,0,0]=3 1323 B21R2.541 CSCN(C)CCC(c1ccccc1)c2ccccc2 34a_100025726140_100011218213 [0,2,0,0,0,0|1,0,0]=3 1324 B21R2.1815 C/C=C(\C)/C(C)NC(c1ccccc1)c2ccccn2 269862a_100000689936_100020675665 [0,2,0,0,0,0|2,0,0]=4 1325 B21R2.1815 CCC(C)C(C)NC(c1ccccc1)c2ccccn2 269862a_100000689936_100000210599 [0,2,0,0,0,0|2,0,0]=4 1326 B21R2.1815 CCC(C)C(C)NC(c1ccccc1)c2ccccn2 270004a_100000689936_100000210599 [0,2,0,0,0,0|2,0,0]=4 1327 B21R2.1815 CCN(C)C(=O)CC(c1ccccc1)c2ccccc2 11a_100000225621_100000499737 [0,2,0,0,0,0|1,0,1]=4 1328 B21R2.1815 CCN(C)C(=O)CC(c1ccccc1)c2ccccc2 1626a_100000225621_100000499737 [0,2,0,0,0,0|1,0,1]=4 1329 B21R2.1815 CCN(C)C(=O)CC(c1ccccc1)c2ccccc2 240690a_100000225621_100000499737 [0,2,0,0,0,0|1,0,1]=4 1330 B21R2.1815 CCN(C)C(=O)CC(c1ccccc1)c2ccccc2 527a_100000225621_100000499737 [0,2,0,0,0,0|1,0,1]=4 1331 B21R2.16928 CCC(C)CN(C)C(c1ccccc1)c2ccccn2 270004a_100000753921_100000210380 [0,2,0,0,0,0|2,0,0]=4 1332 B21R2.16928 CCN(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100116209913_100011216954 [0,2,0,0,0,0|1,0,1]=4 1333 B21R2.22881 CCC(C)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000748023 [0,2,0,0,0,0|2,0,0]=4 1334 B21R2.22881 CC[C@H](C)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100009816398 [0,2,0,0,0,0|2,0,0]=4 1335 B21R2.22881 C[C@@H](CO)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000059175 [0,2,0,0,0,0|2,0,0]=4 1336 B21R2.23060 CCC(C)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100020588543_100000688346 [0,2,0,0,0,0|2,0,0]=4 1337 B21R2.23060 CO[C@H](C)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100020591295_100000688346 [0,2,0,0,0,0|2,0,0]=4 1338 B21R2.23063 CCC(C)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100020588543_200010179208 [0,2,0,0,0,0|2,0,0]=4 1339 B21R2.23063 CCC(C)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100020588543_200010188304 [0,2,0,0,0,0|2,0,0]=4 1340 B21R2.23063 CCC(C)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100020588543_100000753647 [0,2,0,0,0,0|2,0,0]=4 1341 B21R2.23063 CCC(C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000748023 [0,2,0,0,0,0|2,0,0]=4 1342 B21R2.23063 CCC(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000748023_200010188304 [0,2,0,0,0,0|2,0,0]=4 1343 B21R2.23063 CCC(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000748023 [0,2,0,0,0,0|2,0,0]=4 1344 B21R2.23063 CC[C@H](C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100009816398 [0,2,0,0,0,0|2,0,0]=4 1345 B21R2.23063 CC[C@H](C)COC(c1ccc(cc1)Cl)c2ccccn2 7a_100009816381_200010188304 [0,2,0,0,0,0|2,0,0]=4 1346 B21R2.23063 CC[C@H](C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100009816398_200010188304 [0,2,0,0,0,0|2,0,0]=4 1347 B21R2.23063 CC[C@H](C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100009816398 [0,2,0,0,0,0|2,0,0]=4 1348 B21R2.23063 CO[C@H](C)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100020591295_200010179208 [0,2,0,0,0,0|2,0,0]=4 1349 B21R2.23063 CO[C@H](C)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100020591295_200010188304 [0,2,0,0,0,0|2,0,0]=4 1350 B21R2.23063 CO[C@H](C)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100020591295_100000753647 [0,2,0,0,0,0|2,0,0]=4 1351 B21R2.23063 C[C@@H](CO)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000059175 [0,2,0,0,0,0|2,0,0]=4 1352 B21R2.23063 C[C@@H](CO)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000059175_200010188304 [0,2,0,0,0,0|2,0,0]=4 1353 B21R2.23063 C[C@@H](CO)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000059175 [0,2,0,0,0,0|2,0,0]=4 1354 B21R2.194993 C=C[Si](C)(C)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000038793 [0,2,0,0,0,0|2,0,0]=4 1355 B21R2.194993 CC(C)(CO)CNC(c1ccccc1)c2ccccn2 270004a_100020635058_100000210380 [0,2,0,0,0,0|2,0,0]=4 1356 B21R2.194993 CC(C)(CO)COC(c1ccccc1)c2ccccn2 7a_100000180852_100009813988 [0,2,0,0,0,0|2,0,0]=4 1357 B21R2.194993 COC(C)(C)CNC(c1ccccc1)c2ccccn2 270004a_100000763424_100000210380 [0,2,0,0,0,0|2,0,0]=4 1358 B21R2.194993 CSC(C)(C)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100009845794 [0,2,0,0,0,0|2,0,0]=4 1359 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011215472 [0,2,0,0,0,0|2,0,0]=4 1360 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccn2 269862a_100000689936_100000211137 [0,2,0,0,0,0|2,0,0]=4 1361 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccn2 270004a_100000689936_100000211137 [0,2,0,0,0,0|2,0,0]=4 1362 B21R2.289104 CCC(CC)CNC(c1ccccc1)c2ccccn2 270004a_100102946423_100000210380 [0,2,0,0,0,0|2,0,0]=4 1363 B21R2.289104 CCC(CC)COC(c1ccccc1)c2ccccn2 7a_100000180852_100011215472 [0,2,0,0,0,0|2,0,0]=4 1364 B21R2.289104 CCC(CNC(c1ccccc1)c2ccccn2)OC 270004a_100000731041_100000210380 [0,2,0,0,0,0|2,0,0]=4 1365 B21R2.289104 CCN(CC)CCC(c1ccccc1)c2ccccc2 2230a_100000724800_100009813428 [0,2,0,0,0,0|1,0,0]=3 1366 B21R2.289104 CCN(CC)CCC(c1ccccc1)c2ccccc2 269956a_100000042499_100009813428 [0,2,0,0,0,0|1,0,0]=3 1367 B21R2.289104 CCN(CC)CCC(c1ccccc1)c2ccccc2 269982a_100000724800_100009813428 [0,2,0,0,0,0|1,0,0]=3 1368 B21R2.289104 CCN(CC)CC[S+](c1ccccc1)c2ccccc2 2230a_100000724800_100010140906 [0,2,0,0,0,0|2,0,0]=4 1369 B21R2.289104 CCN(CC)CC[S+](c1ccccc1)c2ccccc2 269956a_100000042499_100010140906 [0,2,0,0,0,0|2,0,0]=4 1370 B21R2.289104 CCN(CC)CC[S+](c1ccccc1)c2ccccc2 269982a_100000724800_100010140906 [0,2,0,0,0,0|2,0,0]=4 1371 B21R2.289104 CCN(CC)COC(c1ccccc1)c2ccccc2 7a_200015374951_100011216954 [0,2,0,0,0,0|2,0,0]=4 1372 B21R2.289104 COC(CNC(c1ccccc1)c2ccccn2)OC 2230a_100000689936_100000751394 [0,2,0,0,0,0|2,0,0]=4 1373 B21R2.289104 COC(CNC(c1ccccc1)c2ccccn2)OC 270004a_100000210479_100000210380 [0,2,0,0,0,0|2,0,0]=4 1374 B21R2.289104 COC(CNC(c1ccccc1)c2ccccn2)OC 270004a_100000689936_100000752162 [0,2,0,0,0,0|2,0,0]=4 1375 B21R2.289104 COC(COC(c1ccccc1)c2ccccn2)OC 7a_100000180852_100000751394 [0,2,0,0,0,0|2,0,0]=4 1376 B21R2.407759 CCC(C)CNC(c1ccccn1)c2ccccc2Cl 270004a_100020588543_100011400554 [0,2,0,0,0,0|2,0,0]=4 1377 B21R2.407759 CO[C@H](C)CNC(c1ccccn1)c2ccccc2Cl 270004a_100020591295_100011400554 [0,2,0,0,0,0|2,0,0]=4 1378 B21R2.37627 CC(NC(c1ccccc1)c2ccccn2)C(C)(C)O 269862a_100000689936_100000747739 [0,2,0,0,0,0|2,0,0]=4 1379 B21R2.37627 C[C@@H](NC(c1ccccc1)c2ccccn2)C(C)(C)C 270004a_100025703359_100000210380 [0,2,0,0,0,0|2,0,0]=4 1380 B21R2.102853 CC(C)[C@H](CO)NC(c1ccccc1)c2ccccn2 270004a_100011830312_100000210380 [0,2,0,0,0,0|2,0,0]=4 1381 B21R2.102853 CCC(NC(c1ccccc1)c2ccccn2)C(C)C 270004a_100000689936_100000210600 [0,2,0,0,0,0|2,0,0]=4 1382 B21R2.102853 CCC(NC(c1ccccc1)c2ccccn2)C(C)C 270004a_100000745074_100000210380 [0,2,0,0,0,0|2,0,0]=4 1383 B21R2.103324 CC(C)C(C)NC(c1cccc(c1)Cl)c2ccccn2 270004a_100000211541_100000688346 [0,2,0,0,0,0|2,0,0]=4 1384 B21R2.105015 CC(C)C(C)N(C)C(c1ccccc1)c2ccccn2 270004a_100000228512_100000210380 [0,2,0,0,0,0|2,0,0]=4 1385 B21R2.105015 C[C@@H](C(=O)C(c1ccccc1)c2ccccc2)N(C)C 1458a_100009822176_100011216954 [0,2,0,0,0,0|1,0,1]=4 1386 B21R2.205967 CC(C)C(C)NC(c1ccccn1)c2ccccc2Cl 270004a_100000211541_100011400554 [0,2,0,0,0,0|2,0,0]=4 1387 B21R2.205967 CN(C)C(=O)CC(c1ccccc1)c2ccccc2Cl 11a_100102631434_100015187286 [0,2,0,0,0,0|1,0,1]=4 1388 B21R2.205967 CN(C)C(=O)CC(c1ccccc1)c2ccccc2Cl 1626a_100102631434_100015187286 [0,2,0,0,0,0|1,0,1]=4 1389 B21R2.205967 CN(C)C(=O)CC(c1ccccc1)c2ccccc2Cl 240690a_100102631434_100015187286 [0,2,0,0,0,0|1,0,1]=4 1390 B21R2.205967 CN(C)C(=O)CC(c1ccccc1)c2ccccc2Cl 527a_100102631434_100015187286 [0,2,0,0,0,0|1,0,1]=4 1391 B21R2.253017 CC(C)C(C)(C)NC(c1ccccc1)c2ccccn2 270004a_200160471154_100000210380 [0,2,0,0,0,0|2,0,0]=4 1392 B21R2.253017 CN(C)C(C)(C)SC(c1ccccc1)c2ccccc2 62a_100000211591_217856628674 [0,2,0,0,0,0|2,0,0]=4 1393 B21R2.253017 CN(C)C(C)(C)SC(c1ccccc1)c2ccccc2 62a_217856628674_100011216954 [0,2,0,0,0,0|2,0,0]=4 1394 B21R2.366971 CC(C)C(C)NC(c1ccc(cc1)Br)c2ccccn2 270004a_100000211541_200010179208 [0,2,0,0,0,0|2,0,0]=4 1395 B21R2.366971 CC(C)C(C)NC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000211541_200010188304 [0,2,0,0,0,0|2,0,0]=4 1396 B21R2.366971 CC(C)C(C)NC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000211541_100000753647 [0,2,0,0,0,0|2,0,0]=4 1397 B21R2.366971 CC(C)C(C)OC(c1ccc(cc1)Cl)c2ccccn2 7a_100000748068_200010188304 [0,2,0,0,0,0|2,0,0]=4 1398 B21R2.54787 COc1cccc(c1)C(NCC(C)C)c2ccccn2 270004a_100000210953_100011350569 [0,2,0,0,0,0|2,0,0]=4 1399 B21R2.103741 CC(C)(C)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000743828_100000688346 [0,2,0,0,0,0|2,0,0]=4 1400 B21R2.103741 CC(C)(F)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100020643315_100000688346 [0,2,0,0,0,0|2,0,0]=4 1401 B21R2.103741 CC(C)(O)CNC(c1cccc(c1)Cl)c2ccccn2 270004a_100000751335_100000688346 [0,2,0,0,0,0|2,0,0]=4 1402 B21R2.223299 CC(C)CN(C)C(c1cccc(c1)Cl)c2ccccn2 270004a_100000747067_100000688346 [0,2,0,0,0,0|2,0,0]=4 1403 B21R2.508904 CN(C)CCC(C#N)(c1ccccc1)c2ccccc2 2230a_100102631434_100000489411 [0,2,0,0,0,0|1,0,0]=3 1404 B21R2.508904 CN(C)CCC(C#N)(c1ccccc1)c2ccccc2 269982a_100102631434_100000489411 [0,2,0,0,0,0|1,0,0]=3 1405 B21R2.3257742 CC(C)(O)COC(C)(c1ccccc1)c2ccccn2 7a_200000075192_100000764493 [0,2,0,0,0,0|2,0,0]=4 1406 B21R2.3257742 CC(OC[Si](C)(C)C)(c1ccccc1)c2ccccn2 7a_200000075192_100000233785 [0,2,0,0,0,0|2,0,0]=4 1407 B21R2.9646 CC(C)CN(C)C(c1ccccn1)c2ccccc2Cl 270004a_100000747067_100011400554 [0,2,0,0,0,0|2,0,0]=4 1408 B21R2.106675 CC(C)(C)CNC(c1ccccn1)c2ccccc2Cl 270004a_100000743828_100011400554 [0,2,0,0,0,0|2,0,0]=4 1409 B21R2.106675 CC(C)(F)CNC(c1ccccn1)c2ccccc2Cl 270004a_100020643315_100011400554 [0,2,0,0,0,0|2,0,0]=4 1410 B21R2.106675 CC(C)(O)CNC(c1ccccn1)c2ccccc2Cl 270004a_100000751335_100011400554 [0,2,0,0,0,0|2,0,0]=4 1411 B21R2.13270 CCN(CC(C)C)C(c1ccccc1)c2ccccn2 270004a_100000738554_100000210380 [0,2,0,0,0,0|2,0,0]=4 1412 B21R2.20129 CC(C)CN(C)C(c1ccc(cc1)Br)c2ccccn2 270004a_100000747067_200010179208 [0,2,0,0,0,0|2,0,0]=4 1413 B21R2.20129 CC(C)CN(C)C(c1ccc(cc1)Cl)c2ccccn2 2230a_100000747067_200010188304 [0,2,0,0,0,0|2,0,0]=4 1414 B21R2.20129 CC(C)CN(C)C(c1ccc(cc1)Cl)c2ccccn2 269982a_100000747067_200010188304 [0,2,0,0,0,0|2,0,0]=4 1415 B21R2.20129 CC(C)CN(C)C(c1ccc(cc1)Cl)c2ccccn2 270004a_100000747067_100000753647 [0,2,0,0,0,0|2,0,0]=4 1416 B21R2.257738 CN(CC(C)(C)C)C(c1ccccc1)c2ccccn2 270004a_100000742839_100000210380 [0,2,0,0,0,0|2,0,0]=4 1417 B21R2.257738 CN(CC(C)(C)O)C(c1ccccc1)c2ccccn2 270004a_100000755907_100000210380 [0,2,0,0,0,0|2,0,0]=4 1418 B21R2.358603 CC(C)(C)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000743828_200010179208 [0,2,0,0,0,0|2,0,0]=4 1419 B21R2.358603 CC(C)(C)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000743828_200010188304 [0,2,0,0,0,0|2,0,0]=4 1420 B21R2.358603 CC(C)(C)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000743828_100000753647 [0,2,0,0,0,0|2,0,0]=4 1421 B21R2.358603 CC(C)(C)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011219605 [0,2,0,0,0,0|2,0,0]=4 1422 B21R2.358603 CC(C)(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100011219605_200010188304 [0,2,0,0,0,0|2,0,0]=4 1423 B21R2.358603 CC(C)(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100011219605 [0,2,0,0,0,0|2,0,0]=4 1424 B21R2.358603 CC(C)(F)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100020643315_200010179208 [0,2,0,0,0,0|2,0,0]=4 1425 B21R2.358603 CC(C)(F)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100020643315_200010188304 [0,2,0,0,0,0|2,0,0]=4 1426 B21R2.358603 CC(C)(F)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100020643315_100000753647 [0,2,0,0,0,0|2,0,0]=4 1427 B21R2.358603 CC(C)(F)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100011997219 [0,2,0,0,0,0|2,0,0]=4 1428 B21R2.358603 CC(C)(F)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100011997219_200010188304 [0,2,0,0,0,0|2,0,0]=4 1429 B21R2.358603 CC(C)(F)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100011997219 [0,2,0,0,0,0|2,0,0]=4 1430 B21R2.358603 CC(C)(O)CNC(c1ccc(cc1)Br)c2ccccn2 270004a_100000751335_200010179208 [0,2,0,0,0,0|2,0,0]=4 1431 B21R2.358603 CC(C)(O)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000751335_200010188304 [0,2,0,0,0,0|2,0,0]=4 1432 B21R2.358603 CC(C)(O)CNC(c1ccc(cc1)Cl)c2ccccn2 270004a_100000751335_100000753647 [0,2,0,0,0,0|2,0,0]=4 1433 B21R2.358603 CC(C)(O)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000764493 [0,2,0,0,0,0|2,0,0]=4 1434 B21R2.358603 CC(C)(O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000764493_200010188304 [0,2,0,0,0,0|2,0,0]=4 1435 B21R2.358603 CC(C)(O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000764493 [0,2,0,0,0,0|2,0,0]=4 1436 B21R2.358603 C[N+](C)(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200000036245_200010188304 [0,2,0,0,0,0|1,0,1]=4 1437 B21R2.358603 C[N+](C)(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_200000036245 [0,2,0,0,0,0|1,0,1]=4 1438 B21R2.358603 C[Si](C)(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000037933_200010188304 [0,2,0,0,0,0|2,0,0]=4 1439 B21R2.358603 C[Si](C)(C)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000037933 [0,2,0,0,0,0|2,0,0]=4 1440 B21R3.240 CN1CCN(C(C1)c2ccccc2)c3cccnn3 27a_100000212268_100016991348 [0,0,0,1,0,1|2,0,0]=4 1441 B21R3.240 CN1CCN(C(C1)c2ccccc2)c3ccncn3 27a_100000212268_100000703185 [0,0,0,1,0,1|2,0,0]=4 1442 B21R3.240 CN1CCN(C(C1)c2ccccc2)c3cnccn3 27a_100000212268_100000211759 [0,0,0,1,0,1|2,0,0]=4 1443 B21R3.240 CN1CCN(C(C1)c2ccccc2)c3ncccn3 27a_100000212268_100000211032 [0,0,0,1,0,1|2,0,0]=4 1444 B21R3.527 CC1CC1COC(c2ccccc2)c3ccccc3 7a_100000744939_100011216954 [0,0,0,1,0,1|2,0,0]=4 1445 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 2230a_100016987628_100000211591 [0,0,0,1,0,1|2,0,0]=4 1446 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 269982a_100016987628_100000211591 [0,0,0,1,0,1|2,0,0]=4 1447 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccc3 270004a_100016987628_100000210122 [0,0,0,1,0,1|2,0,0]=4 1448 B21R3.7545 C[C@@H]1CCN(C1)C(c2ccccc2)c3ccccn3 270004a_100016987628_100000210380 [0,0,0,1,0,1|1,0,0]=3 1449 B21R3.7545 C[C@@H]1CCN(C1)C(c2cccnc2)c3ccccn3 270004a_100016987628_100011376182 [0,0,0,1,0,1|2,0,0]=4 1450 B21R3.7545 F[C@H]1CCN(C1)C(c2ccccc2)c3ccccn3 270004a_100015203821_100000210380 [0,0,0,1,0,1|2,0,0]=4 1451 B21R3.7545 OC1CCN(C1)C(c2ccccc2)c3ccccn3 270004a_100011215560_100000210380 [0,0,0,1,0,1|2,0,0]=4 1452 B21R3.21229 C=C1CC(C1)NC(c2ccccc2)c3ccccn3 270004a_100132301982_100000210380 [0,0,0,1,0,1|1,0,1]=4 1453 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3ccccc3 270004a_100015196640_100000210122 [0,0,0,1,0,1|1,0,0]=3 1454 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3ccccn3 270004a_100015196640_100000210380 [0,0,0,1,0,1|0,0,0]=2 1455 B21R3.21229 CN1CC(C1)NC(c2ccccc2)c3cccnc3 270004a_100015196640_100000735413 [0,0,0,1,0,1|2,0,0]=4 1456 B21R3.21229 CN1CC(C1)NC(c2cccnc2)c3ccccn3 270004a_100015196640_100011376182 [0,0,0,1,0,1|1,0,0]=3 1457 B21R3.21229 CN1CC(C1)NC(c2cccnc2)c3cnccn3 270004a_100015196640_100000732570 [0,0,0,1,0,1|2,0,0]=4 1458 B21R3.21229 FC1CC(C1)NC(c2ccccc2)c3ccccn3 270004a_100016993743_100000210380 [0,0,0,1,0,1|2,0,0]=4 1459 B21R3.21229 O[C@H]1C[C@@H](C1)NC(c2ccccc2)c3ccccn3 270004a_100020629032_100000210380 [0,0,0,1,0,1|2,0,0]=4 1460 B21R3.47875 c1ccc(cc1)C(CCNC2CC2)c3ccccc3 34a_100000212008_100009813428 [0,0,0,1,0,1|2,0,0]=4 1461 B21R3.47875 c1ccc(cc1)C(CCNC2CC2)c3ccccc3 34a_100000272388_100000211595 [0,0,0,1,0,1|2,0,0]=4 1462 B21R3.47875 c1ccc(cc1)C(CCOC2CC2)c3ccccc3 34a_100000032380_100000211595 [0,0,0,1,0,1|2,0,0]=4 1463 B21R3.47875 c1ccc(cc1)C(CCSC2CC2)c3ccccc3 62a_100009813428_100000211595 [0,0,0,1,0,1|2,0,0]=4 1464 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 2230a_100000739227_100000742324 [0,0,0,1,0,1|2,0,0]=4 1465 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 269862a_100000739227_100000741477 [0,0,0,1,0,1|2,0,0]=4 1466 B21R3.47875 c1ccc(cc1)C(CNCC2CC2)c3ccccc3 34a_100000739227_100000742324 [0,0,0,1,0,1|2,0,0]=4 1467 B21R3.47875 c1ccc(cc1)C(COCC2CC2)c3ccccc3 34a_100011215272_100000742324 [0,0,0,1,0,1|2,0,0]=4 1468 B21R3.47875 c1ccc(cc1)C(COCC2CC2)c3ccccc3 7a_100011215272_100000742324 [0,0,0,1,0,1|2,0,0]=4 1469 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 2230a_100000162943_100000694398 [0,0,0,1,0,1|2,0,0]=4 1470 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 270004a_100000764129_100000210122 [0,0,0,1,0,1|2,0,0]=4 1471 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccc3 34a_100000162943_100000694398 [0,0,0,1,0,1|2,0,0]=4 1472 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccn3 2230a_100000689936_100000694398 [0,0,0,1,0,1|1,0,0]=3 1473 B21R3.47875 c1ccc(cc1)C(NCCC2CC2)c3ccccn3 270004a_100000764129_100000210380 [0,0,0,1,0,1|1,0,0]=3 1474 B21R3.47875 c1ccc(cc1)C(NCCC2CO2)c3ccccn3 2230a_100000689936_100000732470 [0,0,0,1,0,1|2,0,0]=4 1475 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 34a_100000211180_100000694398 [0,0,0,1,0,1|2,0,0]=4 1476 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 7a_100000211180_100000764125 [0,0,0,1,0,1|2,0,0]=4 1477 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccc3 7a_100000754188_100011216954 [0,0,0,1,0,1|2,0,0]=4 1478 B21R3.47875 c1ccc(cc1)C(OCCC2CC2)c3ccccn3 7a_100000180852_100000764125 [0,0,0,1,0,1|1,0,0]=3 1479 B21R3.47875 c1ccc(cc1)C(OCCC2CO2)c3ccccn3 7a_100000180852_100000732470 [0,0,0,1,0,1|2,0,0]=4 1480 B21R3.47875 c1ccc(cc1)C(SCCC2CC2)c3ccccc3 62a_100000211591_100000764125 [0,0,0,1,0,1|2,0,0]=4 1481 B21R3.47875 c1ccc(cc1)C(SCCC2CC2)c3ccccc3 62a_100000764125_100011216954 [0,0,0,1,0,1|2,0,0]=4 1482 B21R3.47875 c1ccc(nc1)C(NCCC2CC2)c3cccnc3 270004a_100000764129_100011376182 [0,0,0,1,0,1|2,0,0]=4 1483 B21R3.9913503 CC(C)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000210312 [0,0,0,1,0,1|2,0,0]=4 1484 B21R3.9913503 CC(C)CCNC1c2ccccc2-c3c1cccc3 269862a_100000104097_100000185833 [0,0,0,1,0,1|2,0,0]=4 1485 B21R3.9913503 CC(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000210254_100000211598 [0,0,0,1,0,1|2,0,0]=4 1486 B21R3.9913503 CC(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000210626 [0,0,0,1,0,1|2,0,0]=4 1487 B21R3.9913503 CC(C)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000210312 [0,0,0,1,0,1|2,0,0]=4 1488 B21R3.9913503 CC(C)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000210760 [0,0,0,1,0,1|2,0,0]=4 1489 B21R3.9913503 CC(C)CNCC1c2ccccc2-c3c1cccc3 270004a_100016995487_100000210432 [0,0,0,1,0,1|2,0,0]=4 1490 B21R3.9913503 CC(C)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000210624 [0,0,0,1,0,1|2,0,0]=4 1491 B21R3.9913503 CC(C)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000210624 [0,0,0,1,0,1|2,0,0]=4 1492 B21R3.9913503 CC(C)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000210760 [0,0,0,1,0,1|2,0,0]=4 1493 B21R3.9913503 CN(C)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000755713 [0,0,0,1,0,1|1,0,0]=3 1494 B21R3.9913503 CN(C)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000755713 [0,0,0,1,0,1|1,0,0]=3 1495 B21R3.808 CN1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_200000210301 [0,1,0,1,0,0|1,0,0]=3 1496 B21R3.808 CN1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_200000210301 [0,1,0,1,0,0|1,0,0]=3 1497 B21R3.808 CN1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_200000210301 [0,1,0,1,0,0|1,0,0]=3 1498 B21R3.808 [13CH3]N1CCC(CC1)(c2ccccc2)c3ccccc3 2230a_100020605268_200025704644 [0,1,0,1,0,0|1,0,0]=3 1499 B21R3.808 [13CH3]N1CCC(CC1)(c2ccccc2)c3ccccc3 269982a_100020605268_200025704644 [0,1,0,1,0,0|1,0,0]=3 1500 B21R3.808 [13CH3]N1CCC(CC1)(c2ccccc2)c3ccccc3 34a_100020605268_200025704644 [0,1,0,1,0,0|1,0,0]=3 1501 B21R3.38456 CCC1CN(C1)C(c2ccccc2)c3ccccn3 270004a_100015205115_100000210380 [0,1,0,1,0,0|2,0,0]=4 1502 B21R3.38456 CSC1CN(C1)C(c2ccccc2)c3ccccn3 270004a_100016990038_100000210380 [0,1,0,1,0,0|2,0,0]=4 1503 B21R3.47850 c1ccc(cc1)C(CCN2CCC2)c3ccccc3 269982a_100000754969_100009813428 [0,1,0,1,0,0|1,0,0]=3 1504 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccn3 2230a_100000689936_100000763275 [0,1,0,1,0,0|2,0,0]=4 1505 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccn3 269862a_100000689936_100000753134 [0,1,0,1,0,0|2,0,0]=4 1506 B21R3.47850 c1ccc(cc1)C(NCC2CCC2)c3ccccn3 270004a_100000738700_100000210380 [0,1,0,1,0,0|2,0,0]=4 1507 B21R3.47850 c1ccc(cc1)C(NCC2CCO2)c3ccccn3 2230a_100000689936_100000103362 [0,1,0,1,0,0|2,0,0]=4 1508 B21R3.47850 c1ccc(cc1)C(NCC2COC2)c3ccccn3 2230a_100000689936_100010264016 [0,1,0,1,0,0|2,0,0]=4 1509 B21R3.47850 c1ccc(cc1)C(NCC2COC2)c3ccccn3 270004a_100015281925_100000210380 [0,1,0,1,0,0|2,0,0]=4 1510 B21R3.47850 c1ccc(cc1)C(NC[C@@H]2CCO2)c3ccccn3 270004a_100020831831_100000210380 [0,1,0,1,0,0|2,0,0]=4 1511 B21R3.47850 c1ccc(cc1)C(OCC2CCC2)c3ccccn3 7a_100000180852_100000763275 [0,1,0,1,0,0|2,0,0]=4 1512 B21R3.47850 c1ccc(cc1)C(OCC2CCO2)c3ccccn3 7a_100000180852_100000103362 [0,1,0,1,0,0|2,0,0]=4 1513 B21R3.47850 c1ccc(cc1)C(OCC2COC2)c3ccccn3 7a_100000180852_100010264016 [0,1,0,1,0,0|2,0,0]=4 1514 B21R3.47850 c1ccc(cc1)[S+](CCN2CCC2)c3ccccc3 269982a_100000754969_100010140906 [0,1,0,1,0,0|2,0,0]=4 1515 B21R3.4215241 CC1(CC1)CNC(c2ccccc2)c3ccccn3 270004a_100000766693_100000210380 [0,1,0,1,0,0|2,0,0]=4 1516 B21R3.4215241 OC1(CC1)CNC(c2ccccc2)c3ccccn3 270004a_100011936951_100000210380 [0,1,0,1,0,0|2,0,0]=4 1517 B21R3.51990 CC(NC(c1ccccc1)c2ccccn2)C3CC3 269862a_100000689936_100000210639 [0,1,0,1,0,0|2,0,0]=4 1518 B21R3.51990 CC(NC(c1ccccc1)c2ccccn2)C3CC3 270004a_100000700016_100000210380 [0,1,0,1,0,0|2,0,0]=4 1519 B21R3.13927454 CN(C)C(=O)CC1c2ccccc2-c3c1cccc3 11a_100102631434_100000011082 [0,1,0,1,0,0|1,0,1]=4 1520 B21R3.13927454 CN(C)C(=O)CC1c2ccccc2-c3c1cccc3 1626a_100102631434_100000011082 [0,1,0,1,0,0|1,0,1]=4 1521 B21R3.13927454 CN(C)C(=O)CC1c2ccccc2-c3c1cccc3 240690a_100102631434_100000011082 [0,1,0,1,0,0|1,0,1]=4 1522 B21R3.13927454 CN(C)C(=O)CC1c2ccccc2-c3c1cccc3 527a_100102631434_100000011082 [0,1,0,1,0,0|1,0,1]=4 1523 B21R3.150232 Clc1cccc(c1)C(NCC2CC2)c3ccccn3 270004a_100000735609_100000688346 [0,1,0,1,0,0|2,0,0]=4 1524 B21R3.469786 CC1CN(C1)C(c2cccc(c2)Cl)c3ccccn3 270004a_100000702820_100000688346 [0,1,0,1,0,0|2,0,0]=4 1525 B21R3.521824 CC(OCC1CC1)(c2ccccc2)c3ccccn3 7a_200000075192_100000742324 [0,1,0,1,0,0|2,0,0]=4 1526 B21R3.18311 Clc1ccccc1C(NCC2CC2)c3ccccn3 270004a_100000735609_100011400554 [0,1,0,1,0,0|2,0,0]=4 1527 B21R3.18313 CC1CN(C1)C(c2ccccn2)c3ccccc3Cl 270004a_100000702820_100011400554 [0,1,0,1,0,0|2,0,0]=4 1528 B21R3.192151 CC1(CN(C1)C(c2ccccc2)c3ccccn3)C 270004a_100000753659_100000210380 [0,1,0,1,0,0|2,0,0]=4 1529 B21R3.192151 CC1(CN(C1)C(c2ccccc2)c3ccccn3)F 270004a_100000696199_100000210380 [0,1,0,1,0,0|2,0,0]=4 1530 B21R3.192151 CC1(CN(C1)C(c2ccccc2)c3ccccn3)O 270004a_100000718560_100000210380 [0,1,0,1,0,0|2,0,0]=4 1531 B21R3.520222 CN(CC1CC1)C(c2ccccc2)c3ccccn3 270004a_100000741881_100000210380 [0,1,0,1,0,0|2,0,0]=4 1532 B21R3.30932 Brc1ccc(cc1)C(NCC2CC2)c3ccccn3 270004a_100000735609_200010179208 [0,1,0,1,0,0|2,0,0]=4 1533 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccn3 2230a_100000735609_200010188304 [0,1,0,1,0,0|2,0,0]=4 1534 B21R3.30932 Clc1ccc(cc1)C(NCC2CC2)c3ccccn3 270004a_100000735609_100000753647 [0,1,0,1,0,0|2,0,0]=4 1535 B21R3.30932 Clc1ccc(cc1)C(OCC2CC2)c3ccccn3 34a_100000242608_100000742324 [0,1,0,1,0,0|2,0,0]=4 1536 B21R3.30932 Clc1ccc(cc1)C(SCC2CC2)c3ccccn3 62a_100000756562_200010188304 [0,1,0,1,0,0|2,0,0]=4 1537 B21R3.30932 Clc1ccc(cc1)C(SCC2CC2)c3ccccn3 62a_200010188304_100000742324 [0,1,0,1,0,0|2,0,0]=4 1538 B21R3.30935 CC1CN(C1)C(c2ccc(cc2)Br)c3ccccn3 270004a_100000702820_200010179208 [0,1,0,1,0,0|2,0,0]=4 1539 B21R3.30935 CC1CN(C1)C(c2ccc(cc2)Cl)c3ccccn3 2230a_100000702820_200010188304 [0,1,0,1,0,0|2,0,0]=4 1540 B21R3.30935 CC1CN(C1)C(c2ccc(cc2)Cl)c3ccccn3 269982a_100000702820_200010188304 [0,1,0,1,0,0|2,0,0]=4 1541 B21R3.30935 CC1CN(C1)C(c2ccc(cc2)Cl)c3ccccn3 270004a_100000702820_100000753647 [0,1,0,1,0,0|2,0,0]=4 1542 B17R2.42 CNCCC(c1ccccc1)c2ccco2 2230a_200000066865_200000210301 [1,0,0,0,1,0|1,0,0]=3 1543 B17R2.42 CNCCC(c1ccccc1)c2ccco2 34a_200000066865_200000210301 [1,0,0,0,1,0|1,0,0]=3 1544 B17R2.42 [13CH3]NCCC(c1ccccc1)c2ccco2 2230a_200000066865_200025704644 [1,0,0,0,1,0|1,0,0]=3 1545 B17R2.42 [13CH3]NCCC(c1ccccc1)c2ccco2 34a_200000066865_200025704644 [1,0,0,0,1,0|1,0,0]=3 1546 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 2230a_100102631434_100000211591 [0,0,0,0,2,0|1,0,0]=3 1547 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_200000210301 [0,0,0,0,2,0|1,0,0]=3 1548 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 269982a_100102631434_100000211591 [0,0,0,0,2,0|1,0,0]=3 1549 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_200000210301 [0,0,0,0,2,0|1,0,0]=3 1550 B17R2.5711 CN(C)C(c1ccccc1)c2ccccc2 270004a_100102631434_100000210122 [0,0,0,0,2,0|1,0,0]=3 1551 B17R2.5711 CN(C)C(c1ccccc1)c2ccccn2 270004a_100102631434_100000210380 [0,0,0,0,2,0|0,0,0]=2 1552 B17R2.5711 CN(C)C(c1ccccc1)c2cccnc2 270004a_100102631434_100000735413 [0,0,0,0,2,0|2,0,0]=4 1553 B17R2.5711 CN(C)C(c1cccnc1)c2ccccn2 270004a_100102631434_100011376182 [0,0,0,0,2,0|1,0,0]=3 1554 B17R2.5711 CN(C)C(c1cccnc1)c2cnccn2 270004a_100102631434_100000732570 [0,0,0,0,2,0|2,0,0]=4 1555 B17R2.5711 CN([13CH3])C(c1ccccc1)c2ccccc2 2230a_100103148541_200025704644 [0,0,0,0,2,0|1,0,0]=3 1556 B17R2.5711 CN([13CH3])C(c1ccccc1)c2ccccc2 269982a_100103148541_200025704644 [0,0,0,0,2,0|1,0,0]=3 1557 B19R2.2770 CCCCN(Cc1ccccn1)c2ccccc2 2230a_100000211623_100000721315 [1,0,0,0,0,1|2,0,0]=4 1558 B19R2.2770 CCCCN(Cc1ccccn1)c2ccccc2 269982a_100000211623_100000721315 [1,0,0,0,0,1|2,0,0]=4 1559 B19R2.2770 CCCCN(Cc1ccccn1)c2ccccc2 34a_100000211623_100000721315 [1,0,0,0,0,1|2,0,0]=4 1560 B19R2.2540 CC(C)C[C@H](Nc1cccnn1)c2ccccc2 27a_100016987908_100016991348 [0,0,0,0,1,1|2,0,0]=4 1561 B19R2.2540 CC(C)C[C@H](Nc1ccncn1)c2ccccc2 27a_100016987908_100000703185 [0,0,0,0,1,1|2,0,0]=4 1562 B19R2.2540 CC(C)C[C@H](Nc1cnccn1)c2ccccc2 27a_100016987908_100000211759 [0,0,0,0,1,1|2,0,0]=4 1563 B19R2.2540 CC(C)C[C@H](Nc1ncccn1)c2ccccc2 27a_100016987908_100000211032 [0,0,0,0,1,1|2,0,0]=4 1564 B19R2.2540 CN(C)CC(Nc1cccnn1)c2ccccc2 27a_100000209865_100016991348 [0,0,0,0,1,1|1,0,0]=3 1565 B19R2.2540 CN(C)CC(Nc1ccncn1)c2ccccc2 27a_100000209865_100000703185 [0,0,0,0,1,1|1,0,0]=3 1566 B19R2.2540 CN(C)CC(Nc1cnccn1)c2ccccc2 27a_100000209865_100000211759 [0,0,0,0,1,1|1,0,0]=3 1567 B19R2.2540 CN(C)CC(Nc1ncccn1)c2ccccc2 27a_100000209865_100000211032 [0,0,0,0,1,1|1,0,0]=3 1568 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccco2 2230a_100015185865_100000210312 [0,0,0,0,1,1|2,0,0]=4 1569 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccco2 269862a_100015185865_100000185833 [0,0,0,0,1,1|2,0,0]=4 1570 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccco2 34a_100015185865_100000210312 [0,0,0,0,1,1|2,0,0]=4 1571 B19R2.8889 CC(C)CCNC(c1ccccc1)c2cccs2 2230a_100025760362_100000210312 [0,0,0,0,1,1|2,0,0]=4 1572 B19R2.8889 CC(C)CCNC(c1ccccc1)c2cccs2 269862a_100025760362_100000185833 [0,0,0,0,1,1|2,0,0]=4 1573 B19R2.8889 CC(C)CCNC(c1ccccc1)c2cccs2 270004a_100000210545_100011214959 [0,0,0,0,1,1|2,0,0]=4 1574 B19R2.8889 CC(C)CCNC(c1ccccc1)c2cccs2 34a_100025760362_100000210312 [0,0,0,0,1,1|2,0,0]=4 1575 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccoc2 2230a_100102946537_100000210312 [0,0,0,0,1,1|2,0,0]=4 1576 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccoc2 269862a_100102946537_100000185833 [0,0,0,0,1,1|2,0,0]=4 1577 B19R2.8889 CC(C)CCNC(c1ccccc1)c2ccoc2 34a_100102946537_100000210312 [0,0,0,0,1,1|2,0,0]=4 1578 B19R2.8889 CC(C)CCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000210626 [0,0,0,0,1,1|2,0,0]=4 1579 B19R2.8889 CC(C)NCCC(c1ccccc1)c2ccco2 2230a_200000066865_100000210206 [0,0,0,0,1,1|2,0,0]=4 1580 B19R2.8889 CC(C)NCCC(c1ccccc1)c2ccco2 34a_200000066865_100000210206 [0,0,0,0,1,1|2,0,0]=4 1581 B19R2.8889 CN(C)CCNC(c1ccccc1)c2cccs2 270004a_100000210585_100011214959 [0,0,0,0,1,1|1,0,0]=3 1582 B19R2.8889 CN(C)CCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000755713 [0,0,0,0,1,1|1,0,0]=3 1583 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ccccc2 2230a_100102631434_200000104094 [0,0,0,0,0,2|2,0,0]=4 1584 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ccccc2 269982a_100000185734_100000755713 [0,0,0,0,0,2|2,0,0]=4 1585 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ccccc2 269982a_100102631434_200000104094 [0,0,0,0,0,2|2,0,0]=4 1586 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ccccc2 269982a_114929131140_100000211182 [0,0,0,0,0,2|2,0,0]=4 1587 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ccccc2 270004a_114929131140_100015611070 [0,0,0,0,0,2|2,0,0]=4 1588 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ccccn2 269982a_114929131140_100000721315 [0,0,0,0,0,2|1,0,0]=3 1589 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ccccn2 270004a_114929131140_100000209966 [0,0,0,0,0,2|1,0,0]=3 1590 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2cnccn2 269982a_114929131140_100016995436 [0,0,0,0,0,2|2,0,0]=4 1591 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2cnccn2 270004a_114929131140_100000749867 [0,0,0,0,0,2|2,0,0]=4 1592 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ncccn2 269982a_114929131140_100000703007 [0,0,0,0,0,2|2,0,0]=4 1593 B21R2.12833 CN(C)CCN(Cc1ccccc1)Cc2ncccn2 270004a_114929131140_100011532527 [0,0,0,0,0,2|2,0,0]=4 1594 B21R2.12833 CN(C)CCN(Cc1ccccn1)Cc2ccccn2 269982a_100000200734_100000755713 [0,0,0,0,0,2|2,0,0]=4 1595 B21R2.12833 CN(C)CCN(Cc1cccnc1)Cc2ccccn2 269982a_100000200736_100000755713 [0,0,0,0,0,2|2,0,0]=4 1596 B21R2.12899 CC(C)CCNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000210312 [0,0,0,0,0,2|2,0,0]=4 1597 B21R2.12899 CC(C)CCNC(Cc1ccccc1)c2ccccc2 269862a_100025772854_100000185833 [0,0,0,0,0,2|2,0,0]=4 1598 B21R2.12899 CC(C)CCOC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000210312 [0,0,0,0,0,2|2,0,0]=4 1599 B21R2.12899 CC(C)CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000210626 [0,0,0,0,0,2|2,0,0]=4 1600 B21R2.12899 CN(C)CCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000757444 [0,0,0,0,0,2|2,0,0]=4 1601 B21R2.12899 CN(C)CCOC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000755713 [0,0,0,0,0,2|1,0,0]=3 1602 B21R2.22309 CC(C)CCC(=NNc1ccccn1)c2ccccc2 4a_100000183288_200011267664 [0,0,0,0,0,2|1,0,1]=4 1603 B21R2.22309 CC(C)CCC(NCc1ccccc1)c2ccccc2 269862a_100015324214_200011267664 [0,0,0,0,0,2|2,0,0]=4 1604 B21R2.22309 CC(C)CCC(NCc1cccnn1)c2ccccc2 269862a_100159270163_200011267664 [0,0,0,0,0,2|2,0,0]=4 1605 B21R2.22309 CC(C)CNC(C=Cc1ccccc1)c2ccccn2 270004a_100000210953_100000005140 [0,0,0,0,0,2|2,0,0]=4 1606 B21R2.22309 CN(C)CCC(NCc1ccccc1)c2ccccc2 207a_200015187826_100015611070 [0,0,0,0,0,2|1,0,0]=3 1607 B21R2.22309 CN(C)CCC(NCc1ccccc1)c2ccccc2 270004a_200015187826_100015611070 [0,0,0,0,0,2|1,0,0]=3 1608 B21R2.22309 CN(C)CCC(NCc1ccccn1)c2ccccc2 207a_200015187826_100000209966 [0,0,0,0,0,2|0,0,0]=2 1609 B21R2.22309 CN(C)CCC(NCc1ccccn1)c2ccccc2 270004a_200015187826_100000209966 [0,0,0,0,0,2|0,0,0]=2 1610 B21R2.22309 CN(C)CCC(NCc1cccnc1)c2ccccc2 207a_200015187826_100000209961 [0,0,0,0,0,2|2,0,0]=4 1611 B21R2.22309 CN(C)CCC(NCc1cccnc1)c2ccccc2 270004a_200015187826_100000209961 [0,0,0,0,0,2|2,0,0]=4 1612 B21R2.22309 CN(C)CCC(NCc1ccncc1)c2ccccc2 207a_200015187826_100000186114 [0,0,0,0,0,2|2,0,0]=4 1613 B21R2.22309 CN(C)CCC(NCc1cnccn1)c2ccccc2 270004a_200015187826_100000749867 [0,0,0,0,0,2|1,0,0]=3 1614 B21R2.22309 CN(C)CCC(NCc1ncccn1)c2ccccc2 270004a_200015187826_100011532527 [0,0,0,0,0,2|1,0,0]=3 1615 B21R2.22309 CN(C)CCN(CCc1ccccc1)c2ccccc2 269982a_200000219566_100000765856 [0,0,0,0,0,2|2,0,0]=4 1616 B21R2.22309 CN(C)CCN(CCc1ccccn1)c2ccccc2 269982a_200000219566_100015183660 [0,0,0,0,0,2|1,0,0]=3 1617 B21R2.22309 CN(C)CCN(CSc1ccccc1)c2ccccc2 269982a_200000219566_100011218342 [0,0,0,0,0,2|2,0,0]=4 1618 B21R2.12898 CC(=CCCNC(c1ccccc1)c2ccccc2)C 2230a_100000162943_100011217483 [0,0,0,0,0,2|2,0,0]=4 1619 B21R2.12898 CC(=CCCNC(c1ccccc1)c2ccccc2)C 34a_100000162943_100011217483 [0,0,0,0,0,2|2,0,0]=4 1620 B21R2.12898 CC(=CCCNC(c1ccccc1)c2ccccn2)C 2230a_100000689936_100011217483 [0,0,0,0,0,2|1,0,0]=3 1621 B21R2.12898 CC(=CCCOC(c1ccccc1)c2ccccc2)C 34a_100000211180_100011217483 [0,0,0,0,0,2|2,0,0]=4 1622 B21R2.12898 CC(=CCCOC(c1ccccc1)c2ccccc2)C 7a_100000211180_100011217483 [0,0,0,0,0,2|2,0,0]=4 1623 B21R2.12898 CC(=CCCOC(c1ccccc1)c2ccccn2)C 7a_100000180852_100011217483 [0,0,0,0,0,2|1,0,0]=3 1624 B21R2.12898 CC(=CCCSC(c1ccccc1)c2ccccc2)C 62a_100000211591_100011217483 [0,0,0,0,0,2|2,0,0]=4 1625 B21R2.12898 CC(=CCCSC(c1ccccc1)c2ccccc2)C 62a_100011217483_100011216954 [0,0,0,0,0,2|2,0,0]=4 1626 B21R2.12898 CC(=CCNCC(c1ccccc1)c2ccccc2)C 2230a_100000739227_100000761012 [0,0,0,0,0,2|2,0,0]=4 1627 B21R2.12898 CC(=CCNCC(c1ccccc1)c2ccccc2)C 34a_100000739227_100000761012 [0,0,0,0,0,2|2,0,0]=4 1628 B21R2.12898 CC(=CCOCC(c1ccccc1)c2ccccc2)C 34a_100011215272_100000761012 [0,0,0,0,0,2|2,0,0]=4 1629 B21R2.12898 CC(=CCOCC(c1ccccc1)c2ccccc2)C 7a_100011215272_100000761012 [0,0,0,0,0,2|2,0,0]=4 1630 B21R2.12898 CC(=O)CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011215641 [0,0,0,0,0,2|2,0,0]=4 1631 B21R2.12898 CC(=O)NCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000189650 [0,0,0,0,0,2|2,0,0]=4 1632 B21R2.12898 CC(=O)NCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000189650 [0,0,0,0,0,2|2,0,0]=4 1633 B21R2.12898 CC(=O)OCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100009814007 [0,0,0,0,0,2|2,0,0]=4 1634 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100011214892 [0,0,0,0,0,2|2,0,0]=4 1635 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccc2 2230a_200000737386_100000211591 [0,0,0,0,0,2|2,0,0]=4 1636 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccc2 270004a_200000737386_100000210122 [0,0,0,0,0,2|2,0,0]=4 1637 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100011214892 [0,0,0,0,0,2|2,0,0]=4 1638 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100011214892 [0,0,0,0,0,2|1,0,0]=3 1639 B21R2.12898 CC(C)CCCNC(c1ccccc1)c2ccccn2 270004a_200000737386_100000210380 [0,0,0,0,0,2|1,0,0]=3 1640 B21R2.12898 CC(C)CCCNC(c1cccnc1)c2ccccn2 270004a_200000737386_100011376182 [0,0,0,0,0,2|2,0,0]=4 1641 B21R2.12898 CC(C)CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100011214892 [0,0,0,0,0,2|2,0,0]=4 1642 B21R2.12898 CC(C)CCCOC(c1ccccc1)c2ccccc2 7a_100000210774_100011216954 [0,0,0,0,0,2|2,0,0]=4 1643 B21R2.12898 CC(C)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011214892 [0,0,0,0,0,2|2,0,0]=4 1644 B21R2.12898 CC(C)CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100011214892 [0,0,0,0,0,2|1,0,0]=3 1645 B21R2.12898 CC(C)CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011214892 [0,0,0,0,0,2|2,0,0]=4 1646 B21R2.12898 CC(C)CCCSC(c1ccccc1)c2ccccc2 62a_100011214892_100011216954 [0,0,0,0,0,2|2,0,0]=4 1647 B21R2.12898 CC(C)CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000210312 [0,0,0,0,0,2|2,0,0]=4 1648 B21R2.12898 CC(C)CCNCC(c1ccccc1)c2ccccc2 269862a_100000739227_100000185833 [0,0,0,0,0,2|2,0,0]=4 1649 B21R2.12898 CC(C)CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000210312 [0,0,0,0,0,2|2,0,0]=4 1650 B21R2.12898 CC(C)CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000210312 [0,0,0,0,0,2|2,0,0]=4 1651 B21R2.12898 CC(C)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000210626 [0,0,0,0,0,2|2,0,0]=4 1652 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 2230a_100000210953_100009813428 [0,0,0,0,0,2|2,0,0]=4 1653 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000210760 [0,0,0,0,0,2|2,0,0]=4 1654 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 270004a_100000272388_100000210432 [0,0,0,0,0,2|2,0,0]=4 1655 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 34a_100000210953_100009813428 [0,0,0,0,0,2|2,0,0]=4 1656 B21R2.12898 CC(C)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000210624 [0,0,0,0,0,2|2,0,0]=4 1657 B21R2.12898 CC(C)COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000210624 [0,0,0,0,0,2|2,0,0]=4 1658 B21R2.12898 CC(C)COCCC(c1ccccc1)c2ccccc2 34a_100000210257_100009813428 [0,0,0,0,0,2|2,0,0]=4 1659 B21R2.12898 CC(C)COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000210760 [0,0,0,0,0,2|2,0,0]=4 1660 B21R2.12898 CC(C)CSCCC(c1ccccc1)c2ccccc2 62a_100000210624_100009813428 [0,0,0,0,0,2|2,0,0]=4 1661 B21R2.12898 CC(C)CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000210760 [0,0,0,0,0,2|2,0,0]=4 1662 B21R2.12898 CC(C)NCCOC(c1ccccc1)c2ccccc2 2230a_100138425928_100000734929 [0,0,0,0,0,2|2,0,0]=4 1663 B21R2.12898 CC(C)NCCOC(c1ccccc1)c2ccccc2 34a_100138425928_100000734929 [0,0,0,0,0,2|2,0,0]=4 1664 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000211751 [0,0,0,0,0,2|2,0,0]=4 1665 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccc2 2230a_100000701111_100000211591 [0,0,0,0,0,2|2,0,0]=4 1666 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccc2 270004a_100000701111_100000210122 [0,0,0,0,0,2|2,0,0]=4 1667 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000211751 [0,0,0,0,0,2|2,0,0]=4 1668 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000211751 [0,0,0,0,0,2|1,0,0]=3 1669 B21R2.12898 CC(C)OCCNC(c1ccccc1)c2ccccn2 270004a_100000701111_100000210380 [0,0,0,0,0,2|1,0,0]=3 1670 B21R2.12898 CC(C)OCCNC(c1cccnc1)c2ccccn2 270004a_100000701111_100011376182 [0,0,0,0,0,2|2,0,0]=4 1671 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000211751 [0,0,0,0,0,2|2,0,0]=4 1672 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccc2 34a_100000212225_100000734929 [0,0,0,0,0,2|2,0,0]=4 1673 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000211751 [0,0,0,0,0,2|2,0,0]=4 1674 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccc2 7a_100000211219_100011216954 [0,0,0,0,0,2|2,0,0]=4 1675 B21R2.12898 CC(C)OCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000211751 [0,0,0,0,0,2|1,0,0]=3 1676 B21R2.12898 CC(C)OCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000211751 [0,0,0,0,0,2|2,0,0]=4 1677 B21R2.12898 CC(C)OCCSC(c1ccccc1)c2ccccc2 62a_100000211751_100011216954 [0,0,0,0,0,2|2,0,0]=4 1678 B21R2.12898 CC(C)OCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000709892 [0,0,0,0,0,2|2,0,0]=4 1679 B21R2.12898 CC(C)OCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000709892 [0,0,0,0,0,2|2,0,0]=4 1680 B21R2.12898 CC(C)OCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000709892 [0,0,0,0,0,2|2,0,0]=4 1681 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000730970 [0,0,0,0,0,2|2,0,0]=4 1682 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccc2 2230a_100000731138_100000211591 [0,0,0,0,0,2|2,0,0]=4 1683 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccc2 270004a_100000731138_100000210122 [0,0,0,0,0,2|2,0,0]=4 1684 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000730970 [0,0,0,0,0,2|2,0,0]=4 1685 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000730970 [0,0,0,0,0,2|1,0,0]=3 1686 B21R2.12898 CC(C)SCCNC(c1ccccc1)c2ccccn2 270004a_100000731138_100000210380 [0,0,0,0,0,2|1,0,0]=3 1687 B21R2.12898 CC(C)SCCNC(c1cccnc1)c2ccccn2 270004a_100000731138_100011376182 [0,0,0,0,0,2|2,0,0]=4 1688 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000730970 [0,0,0,0,0,2|2,0,0]=4 1689 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 62a_100000210206_100000734929 [0,0,0,0,0,2|2,0,0]=4 1690 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 62a_100000734929_100000210206 [0,0,0,0,0,2|2,0,0]=4 1691 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000730970 [0,0,0,0,0,2|2,0,0]=4 1692 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccc2 7a_200011212901_100011216954 [0,0,0,0,0,2|2,0,0]=4 1693 B21R2.12898 CC(C)SCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000730970 [0,0,0,0,0,2|1,0,0]=3 1694 B21R2.12898 CC(C)SCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000730970 [0,0,0,0,0,2|2,0,0]=4 1695 B21R2.12898 CC(C)SCCSC(c1ccccc1)c2ccccc2 62a_100000730970_100011216954 [0,0,0,0,0,2|2,0,0]=4 1696 B21R2.12898 CC(O)CCCNC(c1ccccc1)c2ccccn2 2230a_100000689936_200000718107 [0,0,0,0,0,2|2,0,0]=4 1697 B21R2.12898 CC(O)CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_200000718107 [0,0,0,0,0,2|2,0,0]=4 1698 B21R2.12898 CN(C)CCCNC(c1ccccc1)c2ccccc2 270004a_102531767803_100000210122 [0,0,0,0,0,2|1,0,0]=3 1699 B21R2.12898 CN(C)CCCNC(c1ccccc1)c2ccccn2 270004a_102531767803_100000210380 [0,0,0,0,0,2|0,0,0]=2 1700 B21R2.12898 CN(C)CCCNC(c1ccccc1)c2cccnc2 270004a_102531767803_100000735413 [0,0,0,0,0,2|2,0,0]=4 1701 B21R2.12898 CN(C)CCCNC(c1cccnc1)c2ccccn2 270004a_102531767803_100011376182 [0,0,0,0,0,2|1,0,0]=3 1702 B21R2.12898 CN(C)CCCNC(c1cccnc1)c2cnccn2 270004a_102531767803_100000732570 [0,0,0,0,0,2|2,0,0]=4 1703 B21R2.12898 CN(C)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000757444 [0,0,0,0,0,2|1,0,0]=3 1704 B21R2.12898 CN(C)CCCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000757444 [0,0,0,0,0,2|0,0,0]=2 1705 B21R2.12898 CN(C)CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000757444 [0,0,0,0,0,2|1,0,0]=3 1706 B21R2.12898 CN(C)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000755713 [0,0,0,0,0,2|1,0,0]=3 1707 B21R2.12898 CS(=O)CCCNC(c1ccccc1)c2ccccn2 270004a_200000753449_100000210380 [0,0,0,0,0,2|2,0,0]=4