0 B19R3.167539 Brc1ccc(c2c1cccc2)CN3CCCC3 2230a_100000188435_100012352185 [0,0,0,0,0,0|3,1,0]=4 1 B19R3.167539 Brc1ccc(c2c1cccc2)CN3CCCC3 269982a_100000188435_100012352185 [0,0,0,0,0,0|3,1,0]=4 2 B19R3.167539 Brc1ccc(c2c1cccc2)CN3CCCC3 26a_100000188435_100000186334 [0,0,0,0,0,0|3,1,0]=4 3 B19R3.167539 Brc1ccc(c2c1cccc2)CN3CCCC3 270004a_100000188435_100012359940 [0,0,0,0,0,0|3,1,0]=4 4 B19R3.167539 Brc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100012339872_100025796157 [0,0,0,0,0,0|1,1,2]=4 5 B19R3.167539 Brc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100012339872 [0,0,0,0,0,0|1,1,2]=4 6 B19R3.167539 Cc1ccc(c2c1cccc2)CN3CCCC3 2230a_100000188435_100012073487 [0,0,0,0,0,0|4,0,0]=4 7 B19R3.167539 Cc1ccc(c2c1cccc2)CN3CCCC3 269982a_100000188435_100012073487 [0,0,0,0,0,0|4,0,0]=4 8 B19R3.167539 Cc1ccc(c2c1cccc2)CN3CCCC3 270004a_100000188435_100000188529 [0,0,0,0,0,0|4,0,0]=4 9 B19R3.167539 Cc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100011215156_100025796157 [0,0,0,0,0,0|2,0,2]=4 10 B19R3.167539 Cc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100011215156 [0,0,0,0,0,0|2,0,2]=4 11 B19R3.167539 Clc1ccc(c2c1cccc2)CN3CCCC3 270004a_100000188435_100011204464 [0,0,0,0,0,0|3,0,0]=3 12 B19R3.167539 Clc1ccc(c2c1cccc2)CN3CCSC3 270004a_100011215254_100011204464 [0,0,0,0,0,0|4,0,0]=4 13 B19R3.167539 Clc1ccc(c2c1cccc2)NC3CCCC3 34a_100011216319_100000179811 [0,0,0,0,0,0|3,0,1]=4 14 B19R3.167539 Clc1ccc(c2c1cccc2)OC3CCCC3 34a_100000211000_100000179811 [0,0,0,0,0,0|3,0,1]=4 15 B19R3.167539 Clc1ccc(c2c1cccc2)OC3CCCC3 7a_100000211000_100000179811 [0,0,0,0,0,0|3,0,1]=4 16 B19R3.167539 Fc1ccc(c2c1cccc2)C=C3CCCC3 271570a_100010378317_100011218216 [0,0,0,0,0,0|2,1,1]=4 17 B19R3.167539 Fc1ccc(c2c1cccc2)CN3CCCC3 2230a_100000188435_100011988723 [0,0,0,0,0,0|3,1,0]=4 18 B19R3.167539 Fc1ccc(c2c1cccc2)CN3CCCC3 269982a_100000188435_100011988723 [0,0,0,0,0,0|3,1,0]=4 19 B19R3.167539 Fc1ccc(c2c1cccc2)CN3CCCC3 270004a_100000188435_100011934225 [0,0,0,0,0,0|3,1,0]=4 20 B19R3.167539 Fc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100011218216_100025796157 [0,0,0,0,0,0|1,1,2]=4 21 B19R3.167539 Fc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100011218216 [0,0,0,0,0,0|1,1,2]=4 22 B19R3.167539 Nc1ccc(c2c1cccc2)C=C3CCCC3 271570a_100010378317_100000766797 [0,0,0,0,0,0|3,0,1]=4 23 B19R3.167539 Nc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100000766797_100025796157 [0,0,0,0,0,0|2,0,2]=4 24 B19R3.167539 Oc1ccc(c2c1cccc2)C=C3CCCC3 271570a_100010378317_100000186334 [0,0,0,0,0,0|3,0,1]=4 25 B19R3.167539 Oc1ccc(c2c1cccc2)Sc3ncc[nH]3 62a_100025796157_100000186334 [0,0,0,0,0,0|2,0,2]=4 26 B18R3.11 C(=C1CCCC1)c2cccc3c2cccc3 271570a_100010378317_100000210605 [1,0,0,0,0,0|2,0,1]=4 27 B18R3.11 c1ccc2c(cccc2c1)CN3CCCC3 2230a_100000188435_100011261445 [1,0,0,0,0,0|3,0,0]=4 28 B18R3.11 c1ccc2c(cccc2c1)CN3CCCC3 269982a_100000188435_100000188474 [1,0,0,0,0,0|3,0,0]=4 29 B18R3.11 c1ccc2c(cccc2c1)CN3CCCC3 270004a_100000188435_100000210074 [1,0,0,0,0,0|3,0,0]=4 30 B18R3.11 c1ccc2c(cccc2c1)Sc3ncc[nH]3 62a_100025796157_100000210605 [1,0,0,0,0,0|1,0,2]=4 31 B20R3.2750585 C[C@@H]1CCN(C1)Cc2ccc(c3c2cccc3)Cl 270004a_100016987628_100011204464 [0,1,0,0,0,0|3,0,0]=4 32 B20R3.2750585 F[C@H]1CCN(C1)Cc2ccc(c3c2cccc3)Cl 270004a_100015203821_100011204464 [0,1,0,0,0,0|3,0,0]=4 33 B20R3.2750585 OC1CCN(C1)Cc2ccc(c3c2cccc3)Cl 270004a_100011215560_100011204464 [0,1,0,0,0,0|3,0,0]=4 34 B20R3.4483023 Clc1cc(c2ccccc2c1CN3CCCC3)Cl 26a_100000188435_100000042667 [0,1,0,0,0,0|3,0,0]=4 35 B20R3.4492370 C[C@@H]1CCCN1Cc2ccc(c3c2cccc3)Cl 270004a_100015189458_100011204464 [0,1,0,0,0,0|3,0,0]=4 36 B20R3.4492370 C[C@H]1CCCN1Cc2ccc(c3c2cccc3)Cl 270004a_100020605311_100011204464 [0,1,0,0,0,0|3,0,0]=4 37 B18R2.75332 CCCCNCc1ccc(c2c1cccc2)Cl 207a_100000102301_100011204464 [0,0,1,0,0,0|3,0,0]=4 38 B18R2.75332 CCCCNCc1ccc(c2c1cccc2)Cl 270004a_100000102301_100011204464 [0,0,1,0,0,0|3,0,0]=4 39 B18R2.75332 CCCNN=Cc1ccc(c2c1cccc2)Cl 4a_100000740057_100011204464 [0,0,1,0,0,0|2,0,1]=4 40 B18R2.75332 Cc1ccc(c2c1cccc2)COCCCN 34a_100000182051_100012073487 [0,0,1,0,0,0|3,0,0]=4 41 B18R2.75332 FCCCNCc1ccc(c2c1cccc2)Cl 207a_100015189416_100011204464 [0,0,1,0,0,0|3,0,0]=4 42 B18R2.75332 FCCCNCc1ccc(c2c1cccc2)Cl 270004a_100015189416_100011204464 [0,0,1,0,0,0|3,0,0]=4 43 B18R2.75332 NCCCOCc1ccc(c2c1cccc2)Br 34a_100000182051_100012352185 [0,0,1,0,0,0|2,1,0]=4 44 B18R2.75332 NCCCOCc1ccc(c2c1cccc2)F 34a_100000182051_100011988723 [0,0,1,0,0,0|2,1,0]=4 45 B18R2.75332 OCCCNCc1ccc(c2c1cccc2)Cl 207a_100000182051_100011204464 [0,0,1,0,0,0|3,0,0]=4 46 B18R2.75332 OCCCNCc1ccc(c2c1cccc2)Cl 270004a_100000182051_100011204464 [0,0,1,0,0,0|3,0,0]=4 47 B18R2.75332 OCCNN=Cc1ccc(c2c1cccc2)Cl 4a_100000210001_100011204464 [0,0,1,0,0,0|2,0,1]=4 48 B18R2.124776 CCCC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000211992_100012352185 [0,0,1,0,0,0|2,1,0]=4 49 B18R2.124776 CCCC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000211992_100012073487 [0,0,1,0,0,0|3,0,0]=4 50 B18R2.124776 CCCC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000211992_100011988723 [0,0,1,0,0,0|2,1,0]=4 51 B18R2.124776 CCCC(=O)Nc1ccc(c2c1cccc2)Cl 11a_100011216319_100000211992 [0,0,1,0,0,0|3,0,0]=4 52 B18R2.124776 CCCC(=O)Nc1ccc(c2c1cccc2)Cl 1626a_100011216319_100000211992 [0,0,1,0,0,0|3,0,0]=4 53 B18R2.124776 CCCC(=O)Nc1ccc(c2c1cccc2)Cl 22a_100011216319_100000211992 [0,0,1,0,0,0|3,0,0]=4 54 B18R2.124776 CCCN(C)Cc1ccc(c2c1cccc2)Cl 270004a_100000747261_100011204464 [0,0,1,0,0,0|3,0,0]=4 55 B18R2.124776 CCNC(=O)Cn1ccc(=O)c2c1cccc2 11a_100015525214_100000745096 [0,0,1,0,0,0|3,0,0]=4 56 B18R2.124776 CCNC(=O)Cn1ccc(=O)c2c1cccc2 240690a_100015525214_100000745096 [0,0,1,0,0,0|3,0,0]=4 57 B18R2.124776 CCNC(=O)Cn1ccc(=O)c2c1cccc2 527a_100015525214_100000745096 [0,0,1,0,0,0|3,0,0]=4 58 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccc2)Br 2430a_100000766797_100015525214 [0,0,1,0,0,0|2,1,0]=4 59 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100015525214 [0,0,1,0,0,0|2,0,0]=3 60 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccc2)F 2430a_100011988692_100015525214 [0,0,1,0,0,0|2,1,0]=4 61 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccc2)O 2430a_100000705857_100015525214 [0,0,1,0,0,0|3,0,0]=4 62 B18R2.124776 CCNC(=O)Nc1ccc(c2c1cccn2)Cl 2430a_100000746469_100015525214 [0,0,1,0,0,0|3,0,0]=4 63 B18R2.605933 CCN(CC)Cc1ccc(c2c1cccc2)Cl 270004a_100000724800_100011204464 [0,0,1,0,0,0|3,0,0]=4 64 B18R3.6430 Brc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100010197674_100025796157 [0,0,0,0,1,0|0,1,2]=4 65 B18R3.6430 Brc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100012339872 [0,0,0,0,1,0|0,1,2]=4 66 B18R3.6430 Cc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100011215156 [0,0,0,0,1,0|3,0,0]=4 67 B18R3.6430 Cc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100011218857_100025796157 [0,0,0,0,1,0|1,0,2]=4 68 B18R3.6430 Cc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100011215156 [0,0,0,0,1,0|1,0,2]=4 69 B18R3.6430 Clc1ccc(c2c1cccc2)c3c[nH]cn3 271570a_100000696642_100000756875 [0,0,0,0,1,0|2,0,1]=4 70 B18R3.6430 Clc1ccc(c2c1cccc2)c3cc[nH]n3 271570a_100000696642_100000062575 [0,0,0,0,1,0|2,0,1]=4 71 B18R3.6430 Clc1ccc(c2c1cccc2)c3ccsn3 271570a_100000696642_100009818082 [0,0,0,0,1,0|2,0,1]=4 72 B18R3.6430 Clc1ccc(c2c1cccc2)c3cscn3 271570a_100000696642_100000751502 [0,0,0,0,1,0|2,0,1]=4 73 B18R3.6430 Clc1ccc(c2c1cccc2)c3nc[nH]n3 271570a_100000696642_100000761765 [0,0,0,0,1,0|1,0,2]=4 74 B18R3.6430 Clc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100000696642_100025796157 [0,0,0,0,1,0|0,0,2]=3 75 B18R3.6430 Clc1ccc(c2c1cccc2)c3ncco3 271570a_100000696642_100011787736 [0,0,0,0,1,0|1,0,2]=4 76 B18R3.6430 Clc1ccc(c2c1cccc2)c3nccs3 271570a_100000696642_100000211983 [0,0,0,0,1,0|1,0,2]=4 77 B18R3.6430 Clc1ccc(c2c1cccc2)c3ncns3 271570a_100000696642_100000693119 [0,0,0,0,1,0|2,0,1]=4 78 B18R3.6430 Clc1ccc(c2c1cccc2)c3nncs3 271570a_100000696642_100000739804 [0,0,0,0,1,0|2,0,1]=4 79 B18R3.6430 Fc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100011218216 [0,0,0,0,1,0|2,1,0]=4 80 B18R3.6430 Fc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100011217420_100025796157 [0,0,0,0,1,0|0,1,2]=4 81 B18R3.6430 Fc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100011218216 [0,0,0,0,1,0|0,1,2]=4 82 B18R3.6430 Nc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100000766797 [0,0,0,0,1,0|3,0,0]=4 83 B18R3.6430 Nc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100010193830_100025796157 [0,0,0,0,1,0|1,0,2]=4 84 B18R3.6430 Nc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100000766797 [0,0,0,0,1,0|1,0,2]=4 85 B18R3.6430 Oc1ccc(c2c1cccc2)C3=CCCC3 271570a_100000089523_100000186334 [0,0,0,0,1,0|3,0,0]=4 86 B18R3.6430 Oc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100010390994_100025796157 [0,0,0,0,1,0|1,0,2]=4 87 B18R3.6430 Oc1ccc(c2c1cccc2)c3ncc[nH]3 271570a_100016988920_100000186334 [0,0,0,0,1,0|1,0,2]=4 88 B18R3.98503 Brc1ccc(c2c1cccc2)CN3CCC3 269982a_100000754969_100012352185 [0,0,0,0,1,0|2,1,0]=4 89 B18R3.98503 Brc1ccc(c2c1cccc2)CN3CCC3 26a_100000754969_100000186334 [0,0,0,0,1,0|2,1,0]=4 90 B18R3.98503 Cc1ccc(c2c1cccc2)CN3CCC3 269982a_100000754969_100012073487 [0,0,0,0,1,0|3,0,0]=4 91 B18R3.98503 Clc1ccc(c2c1cccc2)NC3CCC3 34a_100011216319_100000749161 [0,0,0,0,1,0|2,0,1]=4 92 B18R3.98503 Clc1ccc(c2c1cccc2)OC3CCC3 34a_100000211000_100000749161 [0,0,0,0,1,0|2,0,1]=4 93 B18R3.98503 Fc1ccc(c2c1cccc2)CN3CCC3 269982a_100000754969_100011988723 [0,0,0,0,1,0|2,1,0]=4 94 B20R3.13189 Clc1ccc(c2c1cccc2)CN3CCCOC3 270004a_100000131196_100011204464 [0,0,0,0,0,1|3,0,0]=4 95 B20R3.13189 Clc1ccc(c2c1cccc2)CN3CCOCC3 270004a_100015191051_100011204464 [0,0,0,0,0,1|3,0,0]=4 96 B20R3.13189 Clc1ccc(c2c1cccc2)CN3CCSCC3 270004a_100000737611_100011204464 [0,0,0,0,0,1|3,0,0]=4 97 B20R3.275225 Brc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100012352185_100025796157 [0,0,0,0,0,1|0,1,2]=4 98 B20R3.275225 Brc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100025796157_100012352185 [0,0,0,0,0,1|0,1,2]=4 99 B20R3.275225 Brc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100000766797_100000737910 [0,0,0,0,0,1|0,1,0]=2 100 B20R3.275225 Brc1ccc(c2c1cccc2)NCc3ncc[nH]3 207a_100000766797_100000743867 [0,0,0,0,0,1|0,1,2]=4 101 B20R3.275225 Brc1ccc(c2c1cccc2)NCc3ncc[nH]3 34a_100000766797_100016991755 [0,0,0,0,0,1|0,1,2]=4 102 B20R3.275225 Brc1ccc(c2c1cccc2)NCc3nnn[nH]3 34a_100000766797_100000765167 [0,0,0,0,0,1|2,1,0]=4 103 B20R3.275225 Brc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000186334_100000737910 [0,0,0,0,0,1|0,1,0]=2 104 B20R3.275225 Brc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000186334_100000737910 [0,0,0,0,0,1|0,1,0]=2 105 B20R3.275225 Brc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000186334_100016991755 [0,0,0,0,0,1|0,1,2]=4 106 B20R3.275225 Brc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000186334_100000753453 [0,0,0,0,0,1|0,1,2]=4 107 B20R3.275225 Brc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000186334_100000765167 [0,0,0,0,0,1|2,1,0]=4 108 B20R3.275225 Brc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000186334_100000765167 [0,0,0,0,0,1|2,1,0]=4 109 B20R3.275225 Brc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100012339872 [0,0,0,0,0,1|0,1,0]=2 110 B20R3.275225 Brc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100012339872_100000737910 [0,0,0,0,0,1|0,1,0]=2 111 B20R3.275225 Brc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100012339872_100016991755 [0,0,0,0,0,1|0,1,2]=4 112 B20R3.275225 Brc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100012339872 [0,0,0,0,0,1|0,1,2]=4 113 B20R3.275225 Brc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100012339872 [0,0,0,0,0,1|2,1,0]=4 114 B20R3.275225 Brc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100012339872_100000765167 [0,0,0,0,0,1|2,1,0]=4 115 B20R3.275225 Brc1ccc(c2c1cccn2)NCC3=NCCN3 34a_100000726955_100000737910 [0,0,0,0,0,1|1,1,0]=3 116 B20R3.275225 Brc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100011934063_100000737910 [0,0,0,0,0,1|1,1,0]=3 117 B20R3.275225 Brc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100011934063_100000737910 [0,0,0,0,0,1|1,1,0]=3 118 B20R3.275225 Brc1ccc(c2c1nccc2)NCC3=NCCN3 34a_100012360041_100000737910 [0,0,0,0,0,1|1,1,0]=3 119 B20R3.275225 Cc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100012073487_100025796157 [0,0,0,0,0,1|1,0,2]=4 120 B20R3.275225 Cc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100025796157_100012073487 [0,0,0,0,0,1|1,0,2]=4 121 B20R3.275225 Cc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000074455_100000737910 [0,0,0,0,0,1|1,0,0]=2 122 B20R3.275225 Cc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000074455_100000737910 [0,0,0,0,0,1|1,0,0]=2 123 B20R3.275225 Cc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000074455_100016991755 [0,0,0,0,0,1|1,0,2]=4 124 B20R3.275225 Cc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000074455_100000753453 [0,0,0,0,0,1|1,0,2]=4 125 B20R3.275225 Cc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000074455_100000765167 [0,0,0,0,0,1|3,0,0]=4 126 B20R3.275225 Cc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000074455_100000765167 [0,0,0,0,0,1|3,0,0]=4 127 B20R3.275225 Cc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100011215156 [0,0,0,0,0,1|1,0,0]=2 128 B20R3.275225 Cc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100011215156_100000737910 [0,0,0,0,0,1|1,0,0]=2 129 B20R3.275225 Cc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100011215156_100016991755 [0,0,0,0,0,1|1,0,2]=4 130 B20R3.275225 Cc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100011215156 [0,0,0,0,0,1|1,0,2]=4 131 B20R3.275225 Cc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100011215156 [0,0,0,0,0,1|3,0,0]=4 132 B20R3.275225 Cc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100011215156_100000765167 [0,0,0,0,0,1|3,0,0]=4 133 B20R3.275225 Cc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000058672_100000737910 [0,0,0,0,0,1|2,0,0]=3 134 B20R3.275225 Cc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100000058672_100000737910 [0,0,0,0,0,1|2,0,0]=3 135 B20R3.275225 Cc1ccc(c2c1nccc2)NCC3=NCCN3 34a_100000736242_100000737910 [0,0,0,0,0,1|2,0,0]=3 136 B20R3.275225 Cc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100000694312 [0,0,0,0,0,1|2,0,0]=3 137 B20R3.275225 Cc1cnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000112005 [0,0,0,0,0,1|2,0,0]=3 138 B20R3.275225 Cc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100010239772 [0,0,0,0,0,1|2,0,0]=3 139 B20R3.275225 Cc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100010239772_100000737910 [0,0,0,0,0,1|2,0,0]=3 140 B20R3.275225 Cc1nnc(c2c1cccc2)OCC3=NCCN3 34a_100000183092_100000737910 [0,0,0,0,0,1|3,0,0]=4 141 B20R3.275225 Cc1nnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000189618 [0,0,0,0,0,1|3,0,0]=4 142 B20R3.275225 Clc1ccc(c2c1cccc2)CNC3CCCC3 207a_100000211070_100011204464 [0,0,0,0,0,1|2,0,1]=4 143 B20R3.275225 Clc1ccc(c2c1cccc2)CNC3CCCC3 270004a_100000211070_100011204464 [0,0,0,0,0,1|2,0,1]=4 144 B20R3.275225 Clc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100011216319_100000737910 [0,0,0,0,0,1|0,0,0]=1 145 B20R3.275225 Clc1ccc(c2c1cccc2)NCC3OCCO3 34a_100011216319_100000755774 [0,0,0,0,0,1|2,0,1]=4 146 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3c[nH]cn3 34a_100011216319_100000707719 [0,0,0,0,0,1|2,0,1]=4 147 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3cc[nH]n3 207a_100011216319_100000738523 [0,0,0,0,0,1|2,0,1]=4 148 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3ccn[nH]3 34a_100011216319_100000728653 [0,0,0,0,0,1|2,0,1]=4 149 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3ccon3 34a_100011216319_100000234950 [0,0,0,0,0,1|2,0,1]=4 150 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3cnc[nH]3 207a_100011216319_100000742939 [0,0,0,0,0,1|2,0,1]=4 151 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3cscn3 207a_100011216319_100000743575 [0,0,0,0,0,1|2,0,1]=4 152 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3cscn3 270302a_100011216319_100000743575 [0,0,0,0,0,1|2,0,1]=4 153 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3cscn3 34a_100011216319_100000205941 [0,0,0,0,0,1|2,0,1]=4 154 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3ncc[nH]3 207a_100011216319_100000743867 [0,0,0,0,0,1|0,0,2]=3 155 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3ncc[nH]3 34a_100011216319_100016991755 [0,0,0,0,0,1|0,0,2]=3 156 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3ncco3 34a_100011216319_103436540062 [0,0,0,0,0,1|1,0,2]=4 157 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3nccs3 207a_100011216319_100000750902 [0,0,0,0,0,1|1,0,2]=4 158 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3nccs3 270302a_100011216319_100000750902 [0,0,0,0,0,1|1,0,2]=4 159 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3nccs3 34a_100011216319_100015184050 [0,0,0,0,0,1|1,0,2]=4 160 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3ncon3 34a_100011216319_100000233494 [0,0,0,0,0,1|1,0,2]=4 161 B20R3.275225 Clc1ccc(c2c1cccc2)NCc3nnn[nH]3 34a_100011216319_100000765167 [0,0,0,0,0,1|2,0,0]=3 162 B20R3.275225 Clc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000211000_100000737910 [0,0,0,0,0,1|0,0,0]=1 163 B20R3.275225 Clc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000211000_100000737910 [0,0,0,0,0,1|0,0,0]=1 164 B20R3.275225 Clc1ccc(c2c1cccc2)OCC3CCCO3 7a_100000211000_100000203698 [0,0,0,0,0,1|2,0,1]=4 165 B20R3.275225 Clc1ccc(c2c1cccc2)OCC3OCCO3 34a_100000211000_100000755774 [0,0,0,0,0,1|2,0,1]=4 166 B20R3.275225 Clc1ccc(c2c1cccc2)OCC3OCCO3 7a_100000211000_100000755774 [0,0,0,0,0,1|2,0,1]=4 167 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3c[nH]cn3 34a_100000211000_100000707719 [0,0,0,0,0,1|2,0,1]=4 168 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ccn[nH]3 34a_100000211000_100000728653 [0,0,0,0,0,1|2,0,1]=4 169 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ccn[nH]3 7a_100000211000_100000728653 [0,0,0,0,0,1|2,0,1]=4 170 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ccon3 34a_100000211000_100000234950 [0,0,0,0,0,1|2,0,1]=4 171 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ccon3 7a_100000211000_100000234950 [0,0,0,0,0,1|2,0,1]=4 172 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3cscn3 34a_100000211000_100000205941 [0,0,0,0,0,1|2,0,1]=4 173 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3cscn3 7a_100000211000_100000205941 [0,0,0,0,0,1|2,0,1]=4 174 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000211000_100016991755 [0,0,0,0,0,1|0,0,2]=3 175 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000211000_100000753453 [0,0,0,0,0,1|0,0,2]=3 176 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ncco3 34a_100000211000_103436540062 [0,0,0,0,0,1|1,0,2]=4 177 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ncco3 7a_100000211000_103436540062 [0,0,0,0,0,1|1,0,2]=4 178 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3nccs3 34a_100000211000_100015184050 [0,0,0,0,0,1|1,0,2]=4 179 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3nccs3 7a_100000211000_100015184050 [0,0,0,0,0,1|1,0,2]=4 180 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3ncon3 34a_100000211000_100000233494 [0,0,0,0,0,1|1,0,2]=4 181 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000211000_100000765167 [0,0,0,0,0,1|2,0,0]=3 182 B20R3.275225 Clc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000211000_100000765167 [0,0,0,0,0,1|2,0,0]=3 183 B20R3.275225 Clc1ccc(c2c1cccn2)NCC3=NCCN3 34a_100000736140_100000737910 [0,0,0,0,0,1|1,0,0]=2 184 B20R3.275225 Clc1ccc(c2c1cccn2)NCc3ncc[nH]3 207a_100000736140_100000743867 [0,0,0,0,0,1|1,0,2]=4 185 B20R3.275225 Clc1ccc(c2c1cccn2)NCc3ncc[nH]3 34a_100000736140_100016991755 [0,0,0,0,0,1|1,0,2]=4 186 B20R3.275225 Clc1ccc(c2c1cccn2)NCc3nnn[nH]3 34a_100000736140_100000765167 [0,0,0,0,0,1|3,0,0]=4 187 B20R3.275225 Clc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000212186_100000737910 [0,0,0,0,0,1|1,0,0]=2 188 B20R3.275225 Clc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100000212186_100000737910 [0,0,0,0,0,1|1,0,0]=2 189 B20R3.275225 Clc1ccc(c2c1cccn2)OCc3ncc[nH]3 34a_100000212186_100016991755 [0,0,0,0,0,1|1,0,2]=4 190 B20R3.275225 Clc1ccc(c2c1cccn2)OCc3ncc[nH]3 7a_100000212186_100000753453 [0,0,0,0,0,1|1,0,2]=4 191 B20R3.275225 Clc1ccc(c2c1cccn2)OCc3nnn[nH]3 34a_100000212186_100000765167 [0,0,0,0,0,1|3,0,0]=4 192 B20R3.275225 Clc1ccc(c2c1cccn2)OCc3nnn[nH]3 7a_100000212186_100000765167 [0,0,0,0,0,1|3,0,0]=4 193 B20R3.275225 Clc1ccc(c2c1cncc2)NCC3=NCCN3 34a_100012183343_100000737910 [0,0,0,0,0,1|1,0,0]=2 194 B20R3.275225 Clc1ccc(c2c1cncc2)NCc3ncc[nH]3 207a_100012183343_100000743867 [0,0,0,0,0,1|1,0,2]=4 195 B20R3.275225 Clc1ccc(c2c1cncc2)NCc3ncc[nH]3 34a_100012183343_100016991755 [0,0,0,0,0,1|1,0,2]=4 196 B20R3.275225 Clc1ccc(c2c1cncc2)NCc3nnn[nH]3 34a_100012183343_100000765167 [0,0,0,0,0,1|3,0,0]=4 197 B20R3.275225 Clc1ccc(c2c1nccc2)NCC3=NCCN3 34a_100000746469_100000737910 [0,0,0,0,0,1|1,0,0]=2 198 B20R3.275225 Clc1ccc(c2c1nccc2)NCc3ncc[nH]3 207a_100000746469_100000743867 [0,0,0,0,0,1|1,0,2]=4 199 B20R3.275225 Clc1ccc(c2c1nccc2)NCc3ncc[nH]3 34a_100000746469_100016991755 [0,0,0,0,0,1|1,0,2]=4 200 B20R3.275225 Clc1ccc(c2c1nccc2)NCc3nnn[nH]3 34a_100000746469_100000765167 [0,0,0,0,0,1|3,0,0]=4 201 B20R3.275225 Clc1ncc(c2c1cccc2)OCC3=NCCN3 34a_100000067196_100000737910 [0,0,0,0,0,1|1,0,0]=2 202 B20R3.275225 Clc1ncc(c2c1cccc2)OCC3=NCCN3 7a_100000067196_100000737910 [0,0,0,0,0,1|1,0,0]=2 203 B20R3.275225 Clc1ncc(c2c1cccc2)OCc3ncc[nH]3 34a_100000067196_100016991755 [0,0,0,0,0,1|1,0,2]=4 204 B20R3.275225 Clc1ncc(c2c1cccc2)OCc3ncc[nH]3 7a_100000067196_100000753453 [0,0,0,0,0,1|1,0,2]=4 205 B20R3.275225 Clc1ncc(c2c1cccc2)OCc3nnn[nH]3 34a_100000067196_100000765167 [0,0,0,0,0,1|3,0,0]=4 206 B20R3.275225 Clc1ncc(c2c1cccc2)OCc3nnn[nH]3 7a_100000067196_100000765167 [0,0,0,0,0,1|3,0,0]=4 207 B20R3.275225 Clc1ncc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_200010218400 [0,0,0,0,0,1|2,0,0]=3 208 B20R3.275225 Fc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100011988723_100025796157 [0,0,0,0,0,1|0,1,2]=4 209 B20R3.275225 Fc1ccc(c2c1cccc2)CSc3ncc[nH]3 62a_100025796157_100011988723 [0,0,0,0,0,1|0,1,2]=4 210 B20R3.275225 Fc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100011988692_100000737910 [0,0,0,0,0,1|0,1,0]=2 211 B20R3.275225 Fc1ccc(c2c1cccc2)NCc3ncc[nH]3 207a_100011988692_100000743867 [0,0,0,0,0,1|0,1,2]=4 212 B20R3.275225 Fc1ccc(c2c1cccc2)NCc3ncc[nH]3 34a_100011988692_100016991755 [0,0,0,0,0,1|0,1,2]=4 213 B20R3.275225 Fc1ccc(c2c1cccc2)NCc3nnn[nH]3 34a_100011988692_100000765167 [0,0,0,0,0,1|2,1,0]=4 214 B20R3.275225 Fc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000100223_100000737910 [0,0,0,0,0,1|0,1,0]=2 215 B20R3.275225 Fc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000100223_100000737910 [0,0,0,0,0,1|0,1,0]=2 216 B20R3.275225 Fc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000100223_100016991755 [0,0,0,0,0,1|0,1,2]=4 217 B20R3.275225 Fc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000100223_100000753453 [0,0,0,0,0,1|0,1,2]=4 218 B20R3.275225 Fc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000100223_100000765167 [0,0,0,0,0,1|2,1,0]=4 219 B20R3.275225 Fc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000100223_100000765167 [0,0,0,0,0,1|2,1,0]=4 220 B20R3.275225 Fc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100011218216 [0,0,0,0,0,1|0,1,0]=2 221 B20R3.275225 Fc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100011218216_100000737910 [0,0,0,0,0,1|0,1,0]=2 222 B20R3.275225 Fc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100011218216_100016991755 [0,0,0,0,0,1|0,1,2]=4 223 B20R3.275225 Fc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100011218216 [0,0,0,0,0,1|0,1,2]=4 224 B20R3.275225 Fc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100011218216 [0,0,0,0,0,1|2,1,0]=4 225 B20R3.275225 Fc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100011218216_100000765167 [0,0,0,0,0,1|2,1,0]=4 226 B20R3.275225 Fc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000034212_100000737910 [0,0,0,0,0,1|1,1,0]=3 227 B20R3.275225 Fc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100000034212_100000737910 [0,0,0,0,0,1|1,1,0]=3 228 B20R3.275225 Fc1ccc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_100010214461 [0,0,0,0,0,1|1,1,0]=3 229 B20R3.275225 Fc1ccc(c2c1cccn2)SCC3=NCCN3 62a_100010214461_100000737910 [0,0,0,0,0,1|1,1,0]=3 230 B20R3.275225 Fc1ccc(c2c1ccnc2)SCC3=NCCN3 62a_100000737910_100010244717 [0,0,0,0,0,1|1,1,0]=3 231 B20R3.275225 Fc1ccc(c2c1ccnc2)SCC3=NCCN3 62a_100010244717_100000737910 [0,0,0,0,0,1|1,1,0]=3 232 B20R3.275225 Fc1ccc(c2c1cncc2)SCC3=NCCN3 62a_100000698020_100000737910 [0,0,0,0,0,1|1,1,0]=3 233 B20R3.275225 Fc1ccc(c2c1cncc2)SCC3=NCCN3 62a_100000737910_100000698020 [0,0,0,0,0,1|1,1,0]=3 234 B20R3.275225 Fc1ccc(c2c1nccc2)NCC3=NCCN3 34a_102125277280_100000737910 [0,0,0,0,0,1|1,1,0]=3 235 B20R3.275225 Fc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100010245834 [0,0,0,0,0,1|1,1,0]=3 236 B20R3.275225 Fc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100010245834_100000737910 [0,0,0,0,0,1|1,1,0]=3 237 B20R3.275225 Nc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000705857_100000737910 [0,0,0,0,0,1|1,0,0]=2 238 B20R3.275225 Nc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000705857_100000737910 [0,0,0,0,0,1|1,0,0]=2 239 B20R3.275225 Nc1ccc(c2c1cccc2)OCc3ncc[nH]3 34a_100000705857_100016991755 [0,0,0,0,0,1|1,0,2]=4 240 B20R3.275225 Nc1ccc(c2c1cccc2)OCc3ncc[nH]3 7a_100000705857_100000753453 [0,0,0,0,0,1|1,0,2]=4 241 B20R3.275225 Nc1ccc(c2c1cccc2)OCc3nnn[nH]3 34a_100000705857_100000765167 [0,0,0,0,0,1|3,0,0]=4 242 B20R3.275225 Nc1ccc(c2c1cccc2)OCc3nnn[nH]3 7a_100000705857_100000765167 [0,0,0,0,0,1|3,0,0]=4 243 B20R3.275225 Nc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000766797_100000737910 [0,0,0,0,0,1|1,0,0]=2 244 B20R3.275225 Nc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100000766797_100016991755 [0,0,0,0,0,1|1,0,2]=4 245 B20R3.275225 Nc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000766797_100000765167 [0,0,0,0,0,1|3,0,0]=4 246 B20R3.275225 Nc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000188197_100000737910 [0,0,0,0,0,1|2,0,0]=3 247 B20R3.275225 Nc1ccc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_100012360041 [0,0,0,0,0,1|2,0,0]=3 248 B20R3.275225 Nc1ccc(c2c1cccn2)SCC3=NCCN3 62a_100012360041_100000737910 [0,0,0,0,0,1|2,0,0]=3 249 B20R3.275225 Nc1ccc(c2c1ccnc2)SCC3=NCCN3 62a_100000737910_200012344021 [0,0,0,0,0,1|2,0,0]=3 250 B20R3.275225 Nc1ccc(c2c1ccnc2)SCC3=NCCN3 62a_200012344021_100000737910 [0,0,0,0,0,1|2,0,0]=3 251 B20R3.275225 Nc1ccc(c2c1cncc2)SCC3=NCCN3 62a_100000737910_100011218454 [0,0,0,0,0,1|2,0,0]=3 252 B20R3.275225 Nc1ccc(c2c1cncc2)SCC3=NCCN3 62a_100011218454_100000737910 [0,0,0,0,0,1|2,0,0]=3 253 B20R3.275225 Nc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000726955_100000737910 [0,0,0,0,0,1|2,0,0]=3 254 B20R3.275225 Nc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100000726955 [0,0,0,0,0,1|2,0,0]=3 255 B20R3.275225 Nc1cnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_200009868590 [0,0,0,0,0,1|2,0,0]=3 256 B20R3.275225 Nc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100010158575 [0,0,0,0,0,1|2,0,0]=3 257 B20R3.275225 Nc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100010158575_100000737910 [0,0,0,0,0,1|2,0,0]=3 258 B20R3.275225 Nc1ncc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_100010383929 [0,0,0,0,0,1|3,0,0]=4 259 B20R3.275225 Nc1ncc(c2c1cccn2)SCC3=NCCN3 62a_100010383929_100000737910 [0,0,0,0,0,1|3,0,0]=4 260 B20R3.275225 O=c1[nH]cc(c2c1cccn2)SCC3=NCCN3 62a_100000737910_100009998689 [0,0,0,0,0,1|3,0,0]=4 261 B20R3.275225 O=c1[nH]cc(c2c1cncc2)SCC3=NCCN3 62a_100000737910_100010090797 [0,0,0,0,0,1|3,0,0]=4 262 B20R3.275225 O=c1[nH]nc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100010235092 [0,0,0,0,0,1|3,0,0]=4 263 B20R3.275225 Oc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100000705857_100000737910 [0,0,0,0,0,1|1,0,0]=2 264 B20R3.275225 Oc1ccc(c2c1cccc2)NCc3ncc[nH]3 34a_100000705857_100016991755 [0,0,0,0,0,1|1,0,2]=4 265 B20R3.275225 Oc1ccc(c2c1cccc2)NCc3nnn[nH]3 34a_100000705857_100000765167 [0,0,0,0,0,1|3,0,0]=4 266 B20R3.275225 Oc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000186334 [0,0,0,0,0,1|1,0,0]=2 267 B20R3.275225 Oc1ccc(c2c1cccc2)SCc3ncc[nH]3 62a_100016991755_100000186334 [0,0,0,0,0,1|1,0,2]=4 268 B20R3.275225 Oc1ccc(c2c1cccc2)SCc3nnn[nH]3 62a_100000765167_100000186334 [0,0,0,0,0,1|3,0,0]=4 269 B20R3.275225 Oc1ccc(c2c1nccc2)NCC3=NCCN3 34a_100000188197_100000737910 [0,0,0,0,0,1|2,0,0]=3 270 B20R3.275225 Oc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100011934063 [0,0,0,0,0,1|2,0,0]=3 271 B20R3.275225 Oc1cnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000067196 [0,0,0,0,0,1|2,0,0]=3 272 B20R3.275225 Oc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100009816523 [0,0,0,0,0,1|2,0,0]=3 273 B17R2.5678 C=C(C)c1ccccc1NCC2=NCCN2 34a_100000037685_100000737910 [1,0,1,0,0,0|2,0,0]=4 274 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 34a_200000189419_100000737910 [1,0,1,0,0,0|1,0,1]=4 275 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 7a_200000189419_100000737910 [1,0,1,0,0,0|1,0,1]=4 276 B17R2.4343 C=CCc1ccccc1NCC2=NCCN2 34a_200138433279_100000737910 [1,0,1,0,0,0|1,0,1]=4 277 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 34a_100000211836_100000737910 [1,0,1,0,0,0|1,0,1]=4 278 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 7a_100000211836_100000737910 [1,0,1,0,0,0|1,0,1]=4 279 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100000737910_100009828059 [1,0,1,0,0,0|1,0,1]=4 280 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100009828059_100000737910 [1,0,1,0,0,0|1,0,1]=4 281 B17R2.2192 C=CCN(CC1=NCCN1)c2ccccc2 269982a_100000211662_100000737910 [1,0,1,0,0,0|1,0,1]=4 282 B17R2.2192 C=CCN(CC1=NCCN1)c2ccccc2 34a_100000211662_100000737910 [1,0,1,0,0,0|1,0,1]=4 283 B17R2.2383 C(=C/c1ccccc1)\CNCC2=NCCN2 34a_100020603302_100000737910 [1,0,1,0,0,0|1,0,1]=4 284 B17R2.2383 C(=C/c1ccccc1)\COCC2=NCCN2 34a_100000210256_100000737910 [1,0,1,0,0,0|1,0,1]=4 285 B17R2.2383 C(=C/c1ccccc1)\CSCC2=NCCN2 62a_100000737910_100016265936 [1,0,1,0,0,0|1,0,1]=4 286 B17R2.2383 C(=C/c1ccccc1)\CSCC2=NCCN2 62a_100016265936_100000737910 [1,0,1,0,0,0|1,0,1]=4 287 B17R2.12118 C=CCNCc1ccc(c2c1cccc2)Cl 270004a_100020586998_100011204464 [1,0,1,0,0,0|1,0,1]=4 288 B17R2.12118 CCCNCc1ccc(c2c1cccc2)Br 207a_100020643023_100012359940 [1,0,1,0,0,0|1,1,0]=4 289 B17R2.12118 CCCNCc1ccc(c2c1cccc2)Br 270004a_100020643023_100012359940 [1,0,1,0,0,0|1,1,0]=4 290 B17R2.12118 CCCNCc1ccc(c2c1cccc2)Br 34a_100016995114_100000210303 [1,0,1,0,0,0|1,1,0]=4 291 B17R2.12118 CCCNCc1ccc(c2c1cccc2)C 207a_100020643023_100000188529 [1,0,1,0,0,0|2,0,0]=4 292 B17R2.12118 CCCNCc1ccc(c2c1cccc2)C 270004a_100020643023_100000188529 [1,0,1,0,0,0|2,0,0]=4 293 B17R2.12118 CCCNCc1ccc(c2c1cccc2)Cl 207a_100020643023_100011204464 [1,0,1,0,0,0|1,0,0]=3 294 B17R2.12118 CCCNCc1ccc(c2c1cccc2)Cl 270004a_100020643023_100011204464 [1,0,1,0,0,0|1,0,0]=3 295 B17R2.12118 CCCNCc1ccc(c2c1cccc2)F 207a_100020643023_100011934225 [1,0,1,0,0,0|1,1,0]=4 296 B17R2.12118 CCCNCc1ccc(c2c1cccc2)F 270004a_100020643023_100011934225 [1,0,1,0,0,0|1,1,0]=4 297 B17R2.12118 CCNN=Cc1ccc(c2c1cccc2)Cl 4a_100000756455_100011204464 [1,0,1,0,0,0|1,0,1]=4 298 B17R2.12118 Cc1ccc(c2c1cccc2)CNCCF 34a_100000724931_100012073487 [1,0,1,0,0,0|2,0,0]=4 299 B17R2.12118 Cc1ccc(c2c1cccc2)CNCCO 207a_100000210304_100000188529 [1,0,1,0,0,0|2,0,0]=4 300 B17R2.12118 Cc1ccc(c2c1cccc2)CNCCO 2230a_100016997473_100012073487 [1,0,1,0,0,0|2,0,0]=4 301 B17R2.12118 Cc1ccc(c2c1cccc2)CNCCO 270004a_100000210304_100000188529 [1,0,1,0,0,0|2,0,0]=4 302 B17R2.12118 Cc1ccc(c2c1cccc2)CNCCO 34a_100016990907_100012073487 [1,0,1,0,0,0|2,0,0]=4 303 B17R2.12118 Cc1ccc(c2c1cccc2)COCCN 34a_100000210304_100012073487 [1,0,1,0,0,0|2,0,0]=4 304 B17R2.12118 FCCNCc1ccc(c2c1cccc2)Br 34a_100000724931_100012352185 [1,0,1,0,0,0|1,1,0]=4 305 B17R2.12118 FCCNCc1ccc(c2c1cccc2)Br 34a_100016995114_100011217306 [1,0,1,0,0,0|1,1,0]=4 306 B17R2.12118 FCCNCc1ccc(c2c1cccc2)F 34a_100000724931_100011988723 [1,0,1,0,0,0|1,1,0]=4 307 B17R2.12118 NCCOCc1ccc(c2c1cccc2)Br 34a_100000210304_100012352185 [1,0,1,0,0,0|1,1,0]=4 308 B17R2.12118 NCCOCc1ccc(c2c1cccc2)F 34a_100000210304_100011988723 [1,0,1,0,0,0|1,1,0]=4 309 B17R2.12118 OCCNCc1ccc(c2c1cccc2)Br 207a_100000210304_100012359940 [1,0,1,0,0,0|1,1,0]=4 310 B17R2.12118 OCCNCc1ccc(c2c1cccc2)Br 2230a_100016997473_100012352185 [1,0,1,0,0,0|1,1,0]=4 311 B17R2.12118 OCCNCc1ccc(c2c1cccc2)Br 270004a_100000210304_100012359940 [1,0,1,0,0,0|1,1,0]=4 312 B17R2.12118 OCCNCc1ccc(c2c1cccc2)Br 34a_100016990907_100012352185 [1,0,1,0,0,0|1,1,0]=4 313 B17R2.12118 OCCNCc1ccc(c2c1cccc2)Br 34a_100016995114_100000211926 [1,0,1,0,0,0|1,1,0]=4 314 B17R2.12118 OCCNCc1ccc(c2c1cccc2)Cl 207a_100000210304_100011204464 [1,0,1,0,0,0|1,0,0]=3 315 B17R2.12118 OCCNCc1ccc(c2c1cccc2)Cl 270004a_100000210304_100011204464 [1,0,1,0,0,0|1,0,0]=3 316 B17R2.12118 OCCNCc1ccc(c2c1cccc2)F 207a_100000210304_100011934225 [1,0,1,0,0,0|1,1,0]=4 317 B17R2.12118 OCCNCc1ccc(c2c1cccc2)F 2230a_100016997473_100011988723 [1,0,1,0,0,0|1,1,0]=4 318 B17R2.12118 OCCNCc1ccc(c2c1cccc2)F 270004a_100000210304_100011934225 [1,0,1,0,0,0|1,1,0]=4 319 B17R2.12118 OCCNCc1ccc(c2c1cccc2)F 34a_100016990907_100011988723 [1,0,1,0,0,0|1,1,0]=4 320 B17R2.148072 CCCNCCc1cccc2c1cccc2 2230a_100000751862_100000210303 [1,0,1,0,0,0|1,0,1]=4 321 B17R2.148072 CCCNCCc1cccc2c1cccc2 34a_100000751862_100000210303 [1,0,1,0,0,0|1,0,1]=4 322 B17R2.148072 FCCNCCc1cccc2c1cccc2 2230a_100000751862_100011217306 [1,0,1,0,0,0|1,0,1]=4 323 B17R2.148072 FCCNCCc1cccc2c1cccc2 34a_100000724931_100011290781 [1,0,1,0,0,0|1,0,1]=4 324 B17R2.148072 FCCNCCc1cccc2c1cccc2 34a_100000751862_100011217306 [1,0,1,0,0,0|1,0,1]=4 325 B17R2.148072 NCCCOCc1cccc2c1cccc2 34a_100000182051_100011261445 [1,0,1,0,0,0|2,0,0]=4 326 B17R2.148072 NCCOCCc1cccc2c1cccc2 34a_100000210304_100011290781 [1,0,1,0,0,0|1,0,1]=4 327 B17R2.148072 OCCNCCc1cccc2c1cccc2 2230a_100000751862_100000211926 [1,0,1,0,0,0|1,0,1]=4 328 B17R2.148072 OCCNCCc1cccc2c1cccc2 2230a_100016997473_100011290781 [1,0,1,0,0,0|1,0,1]=4 329 B17R2.148072 OCCNCCc1cccc2c1cccc2 34a_100000751862_100000211926 [1,0,1,0,0,0|1,0,1]=4 330 B17R2.148072 OCCNCCc1cccc2c1cccc2 34a_100016990907_100011290781 [1,0,1,0,0,0|1,0,1]=4 331 B17R2.322318 CCCC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000210303 [1,0,1,0,0,0|2,0,0]=4 332 B17R2.322318 CCCC(=O)Cc1cccc2c1cccc2 1458a_100000211992_100000188474 [1,0,1,0,0,0|2,0,0]=4 333 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 11a_100015525214_100000186155 [1,0,1,0,0,0|1,0,0]=3 334 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 240690a_100015525214_100000186155 [1,0,1,0,0,0|1,0,0]=3 335 B17R2.322318 CCNC(=O)Cc1cccc2c1cccc2 527a_100015525214_100000186155 [1,0,1,0,0,0|1,0,0]=3 336 B17R2.322318 CCNC(=O)Nc1cccc2c1cccc2 2430a_100000185869_100015525214 [1,0,1,0,0,0|2,0,0]=4 337 B17R2.322318 CNNC(=O)Cc1cccc2c1cccc2 22a_100016993582_100000186155 [1,0,1,0,0,0|2,0,0]=4 338 B17R2.451963 CCC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000210414_100012352185 [1,0,1,0,0,0|1,1,0]=4 339 B17R2.451963 CCC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000210414_100012073487 [1,0,1,0,0,0|2,0,0]=4 340 B17R2.451963 CCC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000210414_100011988723 [1,0,1,0,0,0|1,1,0]=4 341 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Cl 11a_100011216319_100000210414 [1,0,1,0,0,0|2,0,0]=4 342 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Cl 1626a_100011216319_100000210414 [1,0,1,0,0,0|2,0,0]=4 343 B17R2.451963 CCC(=O)Nc1ccc(c2c1cccc2)Cl 22a_100011216319_100000210414 [1,0,1,0,0,0|2,0,0]=4 344 B17R2.451963 CNC(=O)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100102657272 [1,0,1,0,0,0|2,0,0]=4 345 B19R2.10734 C=COC(=O)c1ccccc1SCC2=NCCN2 62a_100000737910_200000036168 [0,1,1,0,0,0|2,0,0]=4 346 B19R2.10734 C=COC(=O)c1ccccc1SCC2=NCCN2 62a_200000036168_100000737910 [0,1,1,0,0,0|2,0,0]=4 347 B19R2.514236 CCCNC(=O)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100020643023 [0,1,1,0,0,0|2,0,0]=4 348 B19R2.514236 O=C(NCCF)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100000724931 [0,1,1,0,0,0|2,0,0]=4 349 B19R2.514236 O=C(NCCO)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100000210304 [0,1,1,0,0,0|2,0,0]=4 350 B19R2.470430 CCN(C)C(=O)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100000225621 [0,1,1,0,0,0|2,0,0]=4 351 B19R2.922499 CC(C)NC(=O)Nc1ccc(c2c1cccc2)Cl 2430a_100011216319_100138425928 [0,1,1,0,0,0|2,0,0]=4 352 B19R3.2125527 Cc1c[nH]c(n1)c2ccc(c3c2cccc3)Cl 271570a_100000696642_100161115468 [0,1,0,0,1,0|0,0,2]=4 353 B19R3.2314239 Cn1ccnc1c2ccc(c3c2cccc3)Cl 271570a_100000696642_100000707724 [0,1,0,0,1,0|0,0,2]=4 354 B19R3.2314239 Cn1ncnc1c2ccc(c3c2cccc3)Cl 271570a_100000696642_100000732653 [0,1,0,0,1,0|1,0,1]=4 355 B19R3.425192 CC1CN(C1)Cc2ccc(c3c2cccc3)Cl 270004a_100000702820_100011204464 [0,1,0,0,1,0|2,0,0]=4 356 B19R3.425192 FC1CN(C1)Cc2ccc(c3c2cccc3)Cl 270004a_100000690557_100011204464 [0,1,0,0,1,0|2,0,0]=4 357 B19R3.3039920 Clc1cc(c2ccccc2c1CN3CCC3)Cl 26a_100000754969_100000042667 [0,1,0,0,1,0|2,0,0]=4 358 B21R3.386168 Cn1c(=O)cc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100000041018 [0,1,0,0,0,1|2,0,0]=4 359 B21R3.386168 Cn1c(=O)cc(c2c1cccc2)SCC3=NCCN3 62a_100010246319_100000737910 [0,1,0,0,0,1|2,0,0]=4 360 B21R3.386168 Cn1cc(c2ccccc2c1=O)SCC3=NCCN3 62a_100000239302_100000737910 [0,1,0,0,0,1|2,0,0]=4 361 B21R3.386168 Cn1cc(c2ccccc2c1=O)SCC3=NCCN3 62a_100000737910_100000239302 [0,1,0,0,0,1|2,0,0]=4 362 B21R3.433963 O=C(Cc1nnn[nH]1)c2ccc(c3c2cccc3)Cl 1458a_100012348593_100000765167 [0,1,0,0,0,1|2,0,0]=4 363 B21R3.438472 Cc1ccc2c(ccc(c2n1)N)SCC3=NCCN3 62a_100012970290_100000737910 [0,1,0,0,0,1|2,0,0]=4 364 B21R3.783830 CCc1ccc(c2c1cccc2)NCC3=NCCN3 34a_200009955361_100000737910 [0,1,0,0,0,1|1,0,0]=3 365 B21R3.783830 COc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100020629631_100000737910 [0,1,0,0,0,1|1,0,0]=3 366 B21R3.783830 COc1ccc(c2c1cccc2)OCC3=NCCN3 34a_100000032393_100000737910 [0,1,0,0,0,1|1,0,0]=3 367 B21R3.783830 COc1ccc(c2c1cccc2)OCC3=NCCN3 7a_100000032393_100000737910 [0,1,0,0,0,1|1,0,0]=3 368 B21R3.783830 COc1ccc(c2c1cccn2)NCC3=NCCN3 34a_100000703970_100000737910 [0,1,0,0,0,1|2,0,0]=4 369 B21R3.783830 COc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100009853971_100000737910 [0,1,0,0,0,1|2,0,0]=4 370 B21R3.783830 COc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100009820878 [0,1,0,0,0,1|2,0,0]=4 371 B21R3.783830 COc1cnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100009847308 [0,1,0,0,0,1|2,0,0]=4 372 B21R3.783830 COc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100010220697 [0,1,0,0,0,1|2,0,0]=4 373 B21R3.783830 ClCc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000683097_100000737910 [0,1,0,0,0,1|1,0,0]=3 374 B21R3.783830 ClCc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100000683097_100000737910 [0,1,0,0,0,1|1,0,0]=3 375 B21R3.783830 N#Cc1ccc(c2c1cccc2)NCC3=NCCN3 34a_100011215170_100000737910 [0,1,0,0,0,1|1,0,0]=3 376 B21R3.783830 N#Cc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100012344970 [0,1,0,0,0,1|1,0,0]=3 377 B21R3.783830 N#Cc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100012663090 [0,1,0,0,0,1|2,0,0]=4 378 B21R3.783830 N#Cc1cnc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100009870299 [0,1,0,0,0,1|2,0,0]=4 379 B21R3.783830 N#Cc1ncc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_200010239770 [0,1,0,0,0,1|2,0,0]=4 380 B21R3.783830 NCc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100000737910_100016995114 [0,1,0,0,0,1|1,0,0]=3 381 B21R3.783830 NCc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100016995114_100000737910 [0,1,0,0,0,1|1,0,0]=3 382 B21R3.783830 O=Cc1ccc(c2c1cccc2)SCC3=NCCN3 62a_100012359940_100000737910 [0,1,0,0,0,1|1,0,0]=3 383 B21R3.783830 O=Cc1ccc(c2c1nccc2)SCC3=NCCN3 62a_100000737910_100000694311 [0,1,0,0,0,1|2,0,0]=4 384 B21R3.783830 O=Nc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000184029_100000737910 [0,1,0,0,0,1|2,0,0]=4 385 B21R3.783830 O=Nc1ccc(c2c1cccn2)OCC3=NCCN3 7a_100000184029_100000737910 [0,1,0,0,0,1|2,0,0]=4 386 B21R3.783830 OCc1ccc(c2c1cccn2)OCC3=NCCN3 34a_100000013431_100000737910 [0,1,0,0,0,1|2,0,0]=4 387 B21R3.3733723 Cc1c[nH]c(n1)CNc2ccc(c3c2cccc3)Cl 207a_100011216319_100000082322 [0,1,0,0,0,1|0,0,2]=4 388 B21R3.3733723 O=c1[nH]nc([nH]1)COc2ccc(c3c2cccc3)Cl 7a_100000211000_100000754189 [0,1,0,0,0,1|1,0,1]=4 389 B21R3.4032541 Cn1ccnc1CNc2ccc(c3c2cccc3)Cl 207a_100011216319_100000748660 [0,1,0,0,0,1|0,0,2]=4 390 B21R3.4032541 Cn1ccnc1CNc2ccc(c3c2cccc3)Cl 34a_100011216319_100000700302 [0,1,0,0,0,1|0,0,2]=4 391 B21R3.4032541 Cn1ccnc1COc2ccc(c3c2cccc3)Cl 34a_100000211000_100000700302 [0,1,0,0,0,1|0,0,2]=4 392 B21R3.4032541 Cn1ccnc1COc2ccc(c3c2cccc3)Cl 7a_100000211000_100000700302 [0,1,0,0,0,1|0,0,2]=4 393 B21R3.6679934 Cc1ccnc2c1c(ccc2SCC3=NCCN3)C 62a_100000737910_200010761301 [0,1,0,0,0,1|2,0,0]=4 394 B21R3.6679934 Cc1ccnc2c1c(ccc2SCC3=NCCN3)C 62a_200010761301_100000737910 [0,1,0,0,0,1|2,0,0]=4 395 B21R3.6840350 Brc1cc(c2ccccc2c1NCC3=NCCN3)Br 34a_100012339475_100000737910 [0,1,0,0,0,1|0,1,0]=3 396 B21R3.6840350 Brc1cc(c2cccnc2c1OCC3=NCCN3)Br 7a_100000211973_100000737910 [0,1,0,0,0,1|1,1,0]=4 397 B21R3.6840350 Clc1cc(c(c2c1cccn2)OCC3=NCCN3)Br 34a_100009813450_100000737910 [0,1,0,0,0,1|1,0,0]=3 398 B21R3.6840350 Clc1cc(c(c2c1cccn2)OCC3=NCCN3)Br 7a_100009813450_100000737910 [0,1,0,0,0,1|1,0,0]=3 399 B21R3.6840350 Clc1cc(c(c2c1cccn2)OCC3=NCCN3)I 7a_100000211503_100000737910 [0,1,0,0,0,1|1,0,0]=3 400 B21R3.6840350 Clc1cc(c2ccccc2c1NCC3=NCCN3)Cl 34a_100010097187_100000737910 [0,1,0,0,0,1|0,0,0]=2 401 B21R3.6840350 Clc1cc(c2ccccc2c1NCc3ncc[nH]3)Cl 34a_100010097187_100016991755 [0,1,0,0,0,1|0,0,2]=4 402 B21R3.6840350 Clc1cc(c2ccccc2c1NCc3nnn[nH]3)Cl 34a_100010097187_100000765167 [0,1,0,0,0,1|2,0,0]=4 403 B21R3.6840350 Clc1cc(c2ccccc2c1OCC3=NCCN3)Cl 34a_100000042667_100000737910 [0,1,0,0,0,1|0,0,0]=2 404 B21R3.6840350 Clc1cc(c2ccccc2c1OCC3=NCCN3)Cl 7a_100000042667_100000737910 [0,1,0,0,0,1|0,0,0]=2 405 B21R3.6840350 Clc1cc(c2ccccc2c1OCc3ncc[nH]3)Cl 34a_100000042667_100016991755 [0,1,0,0,0,1|0,0,2]=4 406 B21R3.6840350 Clc1cc(c2ccccc2c1OCc3ncc[nH]3)Cl 7a_100000042667_100000753453 [0,1,0,0,0,1|0,0,2]=4 407 B21R3.6840350 Clc1cc(c2ccccc2c1OCc3nnn[nH]3)Cl 34a_100000042667_100000765167 [0,1,0,0,0,1|2,0,0]=4 408 B21R3.6840350 Clc1cc(c2ccccc2c1OCc3nnn[nH]3)Cl 7a_100000042667_100000765167 [0,1,0,0,0,1|2,0,0]=4 409 B21R3.6840350 Clc1cc(c2cccnc2c1OCC3=NCCN3)Cl 34a_100000019840_100000737910 [0,1,0,0,0,1|1,0,0]=3 410 B21R3.6840350 Clc1cc(c2cccnc2c1OCC3=NCCN3)Cl 7a_100000019840_100000737910 [0,1,0,0,0,1|1,0,0]=3 411 B21R3.6840350 Ic1cc(c2cccnc2c1OCC3=NCCN3)I 7a_100000188416_100000737910 [0,1,0,0,0,1|1,1,0]=4 412 B21R3.7177626 Cc1ccc(c2c1ccc(=O)o2)OCC3=NCCN3 34a_100010660925_100000737910 [0,1,0,0,0,1|2,0,0]=4 413 B21R3.7177626 Cc1ccc(c2c1ccc(=O)o2)OCC3=NCCN3 7a_100010660925_100000737910 [0,1,0,0,0,1|2,0,0]=4 414 B21R3.7177626 Cc1ccc2c(ccc(c2n1)NCC3=NCCN3)Br 34a_100012970290_100000737910 [0,1,0,0,0,1|1,1,0]=4 415 B21R3.7177626 O=c1[nH]cc(c2c1ccc(c2)F)SCC3=NCCN3 62a_100000737910_100010191626 [0,1,0,0,0,1|2,0,0]=4 416 B17R2.50010 CCCC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_100000210303 [0,0,1,0,1,0|2,0,0]=4 417 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)Br 11a_100015525214_100012047197 [0,0,1,0,1,0|1,1,0]=4 418 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)Br 240690a_100015525214_100012047197 [0,0,1,0,1,0|1,1,0]=4 419 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)Br 527a_100015525214_100012047197 [0,0,1,0,1,0|1,1,0]=4 420 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)C 11a_100015525214_100011217726 [0,0,1,0,1,0|2,0,0]=4 421 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)C 240690a_100015525214_100011217726 [0,0,1,0,1,0|2,0,0]=4 422 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)C 527a_100015525214_100011217726 [0,0,1,0,1,0|2,0,0]=4 423 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)Cl 11a_100015525214_100012348593 [0,0,1,0,1,0|1,0,0]=3 424 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)Cl 240690a_100015525214_100012348593 [0,0,1,0,1,0|1,0,0]=3 425 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)Cl 527a_100015525214_100012348593 [0,0,1,0,1,0|1,0,0]=3 426 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)F 11a_100015525214_100000186238 [0,0,1,0,1,0|1,1,0]=4 427 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)F 240690a_100015525214_100000186238 [0,0,1,0,1,0|1,1,0]=4 428 B17R2.50010 CCNC(=O)c1ccc(c2c1cccc2)F 527a_100015525214_100000186238 [0,0,1,0,1,0|1,1,0]=4 429 B17R2.50010 CNNC(=O)c1ccc(c2c1cccc2)Cl 22a_100016993582_100012348593 [0,0,1,0,1,0|2,0,0]=4 430 B17R3.1968 c1ccc2c(cccc2c1)CN3CCC3 269982a_100000754969_100000188474 [1,0,0,0,1,0|2,0,0]=4 431 B17R3.2679 C1=C(CCC1)c2cccc3c2cccc3 271570a_100000089523_100000210605 [1,0,0,0,1,0|2,0,0]=4 432 B17R3.2679 c1ccc2c(cccc2c1)c3ncc[nH]3 271570a_100000693802_100025796157 [1,0,0,0,1,0|0,0,2]=4 433 B17R3.2679 c1ccc2c(cccc2c1)c3ncc[nH]3 271570a_100016988920_100000210605 [1,0,0,0,1,0|0,0,2]=4 434 B17R3.56143 Clc1ccc(c2c1cccc2)NC3CC3 34a_100011216319_100000211595 [0,0,0,0,2,0|1,0,1]=4 435 B17R3.56143 Clc1ccc(c2c1cccc2)OC3CC3 34a_100000211000_100000211595 [0,0,0,0,2,0|1,0,1]=4 436 B19R3.4444 C1=CCc2c(cccc2OCC3=NCCN3)C1 34a_100000074931_100000737910 [1,0,0,0,0,1|0,0,2]=4 437 B19R3.4444 C1=CCc2c(cccc2OCC3=NCCN3)C1 7a_100000074931_100000737910 [1,0,0,0,0,1|0,0,2]=4 438 B19R3.4444 c1cc(c2cccnc2c1)NCC3=NCCN3 34a_100000183906_100000737910 [1,0,0,0,0,1|1,0,0]=3 439 B19R3.4444 c1cc(c2cccnc2c1)OCC3=NCCN3 34a_100011197808_100000737910 [1,0,0,0,0,1|1,0,0]=3 440 B19R3.4444 c1cc(c2cccnc2c1)SCC3=NCCN3 62a_100000737910_100011290932 [1,0,0,0,0,1|1,0,0]=3 441 B19R3.4444 c1cc(c2cccnc2c1)SCC3=NCCN3 62a_100011290932_100000737910 [1,0,0,0,0,1|1,0,0]=3 442 B19R3.4444 c1cc(c2ccncc2c1)OCC3=NCCN3 34a_100011218533_100000737910 [1,0,0,0,0,1|1,0,0]=3 443 B19R3.4444 c1cc(c2ccncc2c1)SCC3=NCCN3 62a_100000186358_100000737910 [1,0,0,0,0,1|1,0,0]=3 444 B19R3.4444 c1cc(c2ccncc2c1)SCC3=NCCN3 62a_100000737910_100000186358 [1,0,0,0,0,1|1,0,0]=3 445 B19R3.4444 c1cc(c2cnccc2c1)OCC3=NCCN3 34a_103624766955_100000737910 [1,0,0,0,0,1|1,0,0]=3 446 B19R3.4444 c1cc(c2cnccc2c1)SCC3=NCCN3 62a_100000685578_100000737910 [1,0,0,0,0,1|1,0,0]=3 447 B19R3.4444 c1cc(c2cnccc2c1)SCC3=NCCN3 62a_100000737910_100000685578 [1,0,0,0,0,1|1,0,0]=3 448 B19R3.4444 c1cc(c2cncnc2c1)SCC3=NCCN3 62a_100000737910_100009814520 [1,0,0,0,0,1|2,0,0]=4 449 B19R3.4444 c1cc(c2cncnc2c1)SCC3=NCCN3 62a_100009814520_100000737910 [1,0,0,0,0,1|2,0,0]=4 450 B19R3.4444 c1cc(c2nccnc2c1)OCC3=NCCN3 34a_100000077048_100000737910 [1,0,0,0,0,1|2,0,0]=4 451 B19R3.4444 c1cc(c2nccnc2c1)SCC3=NCCN3 62a_100000737910_100010003881 [1,0,0,0,0,1|2,0,0]=4 452 B19R3.4444 c1cc(c2nccnc2c1)SCC3=NCCN3 62a_100010003881_100000737910 [1,0,0,0,0,1|2,0,0]=4 453 B19R3.4444 c1cc(c2ncncc2c1)OCC3=NCCN3 34a_200000077003_100000737910 [1,0,0,0,0,1|2,0,0]=4 454 B19R3.4444 c1cc(c2ncncc2c1)SCC3=NCCN3 62a_100000737910_100010246313 [1,0,0,0,0,1|2,0,0]=4 455 B19R3.4444 c1cc(c2ncncc2c1)SCC3=NCCN3 62a_100010246313_100000737910 [1,0,0,0,0,1|2,0,0]=4 456 B19R3.4444 c1cc2c(cncc2cn1)SCC3=NCCN3 62a_100000737910_100010134378 [1,0,0,0,0,1|2,0,0]=4 457 B19R3.4444 c1cc2c(cncc2cn1)SCC3=NCCN3 62a_100010134378_100000737910 [1,0,0,0,0,1|2,0,0]=4 458 B19R3.4444 c1cc2ccnc(c2cn1)SCC3=NCCN3 62a_100000737910_100000116921 [1,0,0,0,0,1|2,0,0]=4 459 B19R3.4444 c1cc2ccnc(c2cn1)SCC3=NCCN3 62a_200010063730_100000737910 [1,0,0,0,0,1|2,0,0]=4 460 B19R3.4444 c1cc2nccc(c2cn1)SCC3=NCCN3 62a_100000095135_100000737910 [1,0,0,0,0,1|2,0,0]=4 461 B19R3.4444 c1cc2nccc(c2cn1)SCC3=NCCN3 62a_100000737910_100000095135 [1,0,0,0,0,1|2,0,0]=4 462 B19R3.4444 c1ccc2c(cccc2c1)CSc3ncc[nH]3 62a_100011261445_100025796157 [1,0,0,0,0,1|0,0,2]=4 463 B19R3.4444 c1ccc2c(cccc2c1)CSc3ncc[nH]3 62a_100025796157_100000188474 [1,0,0,0,0,1|0,0,2]=4 464 B19R3.4444 c1ccc2c(cccc2c1)NCC3=NCCN3 34a_100000185869_100000737910 [1,0,0,0,0,1|0,0,0]=2 465 B19R3.4444 c1ccc2c(cccc2c1)NCc3ncc[nH]3 207a_100000185869_100000743867 [1,0,0,0,0,1|0,0,2]=4 466 B19R3.4444 c1ccc2c(cccc2c1)NCc3ncc[nH]3 34a_100000185869_100016991755 [1,0,0,0,0,1|0,0,2]=4 467 B19R3.4444 c1ccc2c(cccc2c1)NCc3nnn[nH]3 34a_100000185869_100000765167 [1,0,0,0,0,1|2,0,0]=4 468 B19R3.4444 c1ccc2c(cccc2c1)OCC3=NCCN3 34a_100000210388_100000737910 [1,0,0,0,0,1|0,0,0]=2 469 B19R3.4444 c1ccc2c(cccc2c1)OCC3=NCCN3 7a_100000210388_100000737910 [1,0,0,0,0,1|0,0,0]=2 470 B19R3.4444 c1ccc2c(cccc2c1)OCc3ncc[nH]3 34a_100000210388_100016991755 [1,0,0,0,0,1|0,0,2]=4 471 B19R3.4444 c1ccc2c(cccc2c1)OCc3ncc[nH]3 7a_100000210388_100000753453 [1,0,0,0,0,1|0,0,2]=4 472 B19R3.4444 c1ccc2c(cccc2c1)OCc3nnn[nH]3 34a_100000210388_100000765167 [1,0,0,0,0,1|2,0,0]=4 473 B19R3.4444 c1ccc2c(cccc2c1)OCc3nnn[nH]3 7a_100000210388_100000765167 [1,0,0,0,0,1|2,0,0]=4 474 B19R3.4444 c1ccc2c(cccc2c1)SCC3=NCCN3 62a_100000737910_100000210605 [1,0,0,0,0,1|0,0,0]=2 475 B19R3.4444 c1ccc2c(cccc2c1)SCc3ncc[nH]3 62a_100016991755_100000210605 [1,0,0,0,0,1|0,0,2]=4 476 B19R3.4444 c1ccc2c(cccc2c1)SCc3nnn[nH]3 62a_100000765167_100000210605 [1,0,0,0,0,1|2,0,0]=4 477 B19R3.4444 c1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100000737910_100011215880 [1,0,0,0,0,1|1,0,0]=3 478 B19R3.4444 c1ccc2c(ccnc2c1)SCC3=NCCN3 62a_100011458314_100000737910 [1,0,0,0,0,1|1,0,0]=3 479 B19R3.4444 c1ccc2c(cncc2c1)OCC3=NCCN3 34a_100000066178_100000737910 [1,0,0,0,0,1|1,0,0]=3 480 B19R3.4444 c1ccc2c(cncc2c1)OCC3=NCCN3 7a_100000066178_100000737910 [1,0,0,0,0,1|1,0,0]=3 481 B19R3.4444 c1ccc2c(cncc2c1)SCC3=NCCN3 62a_100000187577_100000737910 [1,0,0,0,0,1|1,0,0]=3 482 B19R3.4444 c1ccc2c(cncc2c1)SCC3=NCCN3 62a_100000737910_100000187577 [1,0,0,0,0,1|1,0,0]=3 483 B19R3.4444 c1ccc2c(cnnc2c1)SCC3=NCCN3 62a_100000737910_100000063506 [1,0,0,0,0,1|2,0,0]=4 484 B19R3.4444 c1ccc2c(nccc2c1)OCC3=NCCN3 34a_102531767632_100000737910 [1,0,0,0,0,1|1,0,0]=3 485 B19R3.4444 c1ccc2c(nccc2c1)SCC3=NCCN3 62a_100000737910_100011934041 [1,0,0,0,0,1|1,0,0]=3 486 B19R3.4444 c1ccc2c(nccc2c1)SCC3=NCCN3 62a_100011934041_100000737910 [1,0,0,0,0,1|1,0,0]=3 487 B19R3.4444 c1ccc2c(ncnc2c1)SCC3=NCCN3 62a_100000737910_100000217608 [1,0,0,0,0,1|2,0,0]=4 488 B19R3.4444 c1ccc2c(ncnc2c1)SCC3=NCCN3 62a_100000753007_100000737910 [1,0,0,0,0,1|2,0,0]=4 489 B19R3.4444 c1ccc2c(nncc2c1)SCC3=NCCN3 62a_100000737910_100025712358 [1,0,0,0,0,1|2,0,0]=4 490 B19R3.4444 c1cnc2c(cccc2c1)NCC3=NCCN3 34a_100000181377_100000737910 [1,0,0,0,0,1|1,0,0]=3 491 B19R3.4444 c1cnc2c(cccc2c1)OCC3=NCCN3 34a_100000056035_100000737910 [1,0,0,0,0,1|1,0,0]=3 492 B19R3.4444 c1cnc2c(cccc2c1)SCC3=NCCN3 62a_100000737910_100011215545 [1,0,0,0,0,1|1,0,0]=3 493 B19R3.4444 c1cnc2c(nccc2c1)SCC3=NCCN3 62a_100000737910_100010063729 [1,0,0,0,0,1|2,0,0]=4 494 B19R3.4444 c1cnc2ccnc(c2c1)SCC3=NCCN3 62a_100000737910_100000077681 [1,0,0,0,0,1|2,0,0]=4 495 B19R3.4444 c1cnc2cncc(c2c1)SCC3=NCCN3 62a_100000737910_100010211308 [1,0,0,0,0,1|2,0,0]=4 496 B19R3.4444 c1cnc2cncc(c2c1)SCC3=NCCN3 62a_100010211308_100000737910 [1,0,0,0,0,1|2,0,0]=4 497 B19R3.4444 c1cnc2nccc(c2c1)SCC3=NCCN3 62a_100000087570_100000737910 [1,0,0,0,0,1|2,0,0]=4 498 B19R3.4444 c1cnc2nccc(c2c1)SCC3=NCCN3 62a_100000737910_100000087570 [1,0,0,0,0,1|2,0,0]=4 499 B19R3.167525 Brc1ccc(c2c1cco2)OCC3=NCCN3 34a_200020711608_100000737910 [0,0,0,0,1,1|1,1,0]=4 500 B19R3.167525 Brc1ccc(c2c1cco2)OCC3=NCCN3 7a_200020711608_100000737910 [0,0,0,0,1,1|1,1,0]=4 501 B19R3.167525 Cc1ccc(c2c1[nH]cc2)OCC3=NCCN3 34a_100000132354_100000737910 [0,0,0,0,1,1|2,0,0]=4 502 B19R3.167525 Cc1ccc(c2c1[nH]cc2)SCC3=NCCN3 62a_100000737910_100009820812 [0,0,0,0,1,1|2,0,0]=4 503 B19R3.167525 Cc1ccc(c2c1cc[nH]2)SCC3=NCCN3 62a_100000737910_100010219157 [0,0,0,0,1,1|2,0,0]=4 504 B19R3.167525 Cc1ccc(c2c1cco2)SCC3=NCCN3 62a_100000737910_100010253976 [0,0,0,0,1,1|2,0,0]=4 505 B19R3.167525 Clc1ccc(c2n1ccn2)SCC3=NCCN3 62a_100000737910_100010184985 [0,0,0,0,1,1|2,0,0]=4 506 B19R3.167525 Fc1ccc(c2c1[nH]cc2)SCC3=NCCN3 62a_100000737910_100010006601 [0,0,0,0,1,1|1,1,0]=4 507 B19R3.167525 Fc1ccc(c2c1cc[nH]2)SCC3=NCCN3 62a_100000737910_100010138378 [0,0,0,0,1,1|1,1,0]=4 508 B19R3.167525 Fc1ccc(c2c1cco2)SCC3=NCCN3 62a_100000737910_100012355473 [0,0,0,0,1,1|1,1,0]=4 509 B19R3.167525 Fc1ccc(c2c1occ2)SCC3=NCCN3 62a_100000737910_100010248603 [0,0,0,0,1,1|1,1,0]=4 510 B19R3.167525 Oc1ccc(c2c1occ2)SCC3=NCCN3 62a_100000737910_200020711608 [0,0,0,0,1,1|2,0,0]=4 511 B21R3.433961 Brc1ccc(c2c1cccc2)CNCC3=NCCN3 34a_100016995114_100000737910 [0,0,0,0,0,2|0,1,0]=3 512 B21R3.433961 Brc1ccc(c2c1cccc2)CSCC3=NCCN3 62a_100000737910_100012352185 [0,0,0,0,0,2|0,1,0]=3 513 B21R3.433961 Brc1ccc(c2c1cccc2)CSCC3=NCCN3 62a_100012352185_100000737910 [0,0,0,0,0,2|0,1,0]=3 514 B21R3.433961 Cc1ccc(c2c1cccc2)COCC3=NCCN3 34a_200011995996_100000737910 [0,0,0,0,0,2|1,0,0]=3 515 B21R3.433961 Cc1ccc(c2c1cccc2)COCC3=NCCN3 7a_200011995996_100000737910 [0,0,0,0,0,2|1,0,0]=3 516 B21R3.433961 Cc1ccc(c2c1cccc2)CSCC3=NCCN3 62a_100000737910_100012073487 [0,0,0,0,0,2|1,0,0]=3 517 B21R3.433961 Cc1ccc(c2c1cccc2)CSCC3=NCCN3 62a_100012073487_100000737910 [0,0,0,0,0,2|1,0,0]=3 518 B21R3.433961 Clc1ccc(c2c1cccc2)CNCc3ncc[nH]3 207a_100000754540_100011204464 [0,0,0,0,0,2|0,0,2]=4 519 B21R3.433961 Clc1ccc(c2c1cccc2)CNCc3ncc[nH]3 270004a_100000754540_100011204464 [0,0,0,0,0,2|0,0,2]=4 520 B21R3.433961 Clc1ccc(c2c1cccc2)OCCc3nnn[nH]3 7a_100000211000_100000031946 [0,0,0,0,0,2|2,0,0]=4 521 B21R3.433961 Fc1ccc(c2c1cccc2)COCC3=NCCN3 34a_100011988714_100000737910 [0,0,0,0,0,2|0,1,0]=3 522 B21R3.433961 Fc1ccc(c2c1cccc2)COCC3=NCCN3 7a_100011988714_100000737910 [0,0,0,0,0,2|0,1,0]=3 523 B21R3.433961 Fc1ccc(c2c1cccc2)CSCC3=NCCN3 62a_100000737910_100011988723 [0,0,0,0,0,2|0,1,0]=3 524 B21R3.433961 Fc1ccc(c2c1cccc2)CSCC3=NCCN3 62a_100011988723_100000737910 [0,0,0,0,0,2|0,1,0]=3 525 B21R3.433961 Oc1ccc(c2c1nccc2)CSCC3=NCCN3 62a_100000737910_100000683097 [0,0,0,0,0,2|2,0,0]=4