0 B27R3.44110942 O=C(CCCCCCCCc1ccccc1)C2Cc3ccccc3C2 1458a_100000685393_100009814296 [0,0,0,0,0,0|3,0,1]=4 1 B27R3.44110942 O=C(CCCCCCCCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100009814296 [0,0,0,0,0,0|2,0,1]=3 2 B27R3.44110942 O=C(CCCCCCOCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_100012047231 [0,0,0,0,0,0|4,0,0]=4 3 B27R3.44110942 O=C(CCCCCCOCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_100012047231 [0,0,0,0,0,0|3,0,1]=4 4 B27R3.44110942 O=C(CNCCCCOCc1ccccc1)c2nc3ccccc3s2 2230a_100000748060_100000198972 [0,0,0,0,0,0|3,1,0]=4 5 B27R3.44110942 O=C(COCCCCCCc1ccccc1)c2cc3ccccc3s2 7a_100011215581_100012351422 [0,0,0,0,0,0|3,1,0]=4 6 B27R3.44110942 O=C(CSCCCCCOc1ccccc1)c2cc3ccccc3o2 62a_200011777167_100000209828 [0,0,0,0,0,0|4,0,0]=4 7 B27R3.44110942 O=C(CSCCCCCOc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011777167 [0,0,0,0,0,0|3,1,0]=4 8 B27R3.44110942 O=C(CSCCCCOCc1ccccc1)c2cc3ccccc3o2 62a_100011219843_100000209828 [0,0,0,0,0,0|4,0,0]=4 9 B27R3.44110942 O=C(CSCCCCOCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100011219843 [0,0,0,0,0,0|3,1,0]=4 10 B26R3.7523930 c1ccc(cc1)CCCCCCCOCc2nc3ccccc3o2 34a_100000042756_200012361514 [1,0,0,0,0,0|2,0,1]=4 11 B26R3.7523930 c1ccc(cc1)CCCCCCCOCc2nc3ccccc3o2 7a_100000042756_100000195508 [1,0,0,0,0,0|2,0,1]=4 12 B26R3.7523930 c1ccc(cc1)CCCCCCCOCc2nc3ncccc3o2 7a_100000042756_100000696355 [1,0,0,0,0,0|1,0,1]=3 13 B26R3.7523930 c1ccc(cc1)COCCCCCOCc2nc3ncccc3o2 7a_100011215045_100000696355 [1,0,0,0,0,0|2,0,1]=4 14 B26R3.7523930 c1ccc(cc1)COCCCCCSCc2nc3ncccc3o2 62a_100012032903_100000696355 [1,0,0,0,0,0|2,0,1]=4 15 B28R3.28083509 Cc1ccc2c(c1)OC(C2)C(=O)CCCCCCCCc3ccccc3 1458a_100009922052_100009814296 [0,1,0,0,0,0|2,0,1]=4 16 B28R3.28083509 O=C(CCCCCCCCc1ccccc1)C2Cc3cc(ccc3O2)O 1458a_200009830173_100009814296 [0,1,0,0,0,0|2,0,1]=4 17 B28R3.426817578 O=C(CCCCCCc1ccccc1)CC(=O)c2cc3ccccc3o2 1458a_100000036270_100000209828 [0,1,0,0,0,0|2,0,1]=4 18 B26R2.209913 Cc1ccccc1OCC(=O)CCCCCCCCc2ccccc2 1458a_100000182418_100009814296 [0,0,1,0,0,0|2,0,1]=4 19 B26R2.209913 O=C(C=Cc1ccccc1O)CCCCCCCCc2ccccc2 1458a_100016263591_100009814296 [0,0,1,0,0,0|2,0,0]=3 20 B26R2.209913 O=C(C=Cc1ccccc1O)CCCCCCOCc2ccccc2 1458a_100016263591_100012047231 [0,0,1,0,0,0|3,0,0]=4 21 B26R2.209913 O=C(CCCCCCCCc1ccccc1)CCc2ccccc2O 1458a_100000181328_100009814296 [0,0,1,0,0,0|2,0,1]=4 22 B26R2.209913 O=C(CCCCCCCCc1ccccc1)COc2ccccc2F 1458a_100000182486_100009814296 [0,0,1,0,0,0|2,0,1]=4 23 B26R2.209913 O=C(CCCCCCCCc1ccccc1)COc2ccccc2O 1458a_100000183020_100009814296 [0,0,1,0,0,0|2,0,1]=4 24 B26R2.850327 C/C(=C\c1ccccn1)/C(=O)CCCCCCOCc2ccccc2 1458a_100025712827_100012047231 [0,0,1,0,0,0|3,0,0]=4 25 B26R2.850327 CC(Cc1ccccn1)C(=O)CCCCCCCCc2ccccc2 1458a_100012000792_100009814296 [0,0,1,0,0,0|2,0,1]=4 26 B26R2.850327 O=C(CCCCCCCCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100009814296 [0,0,1,0,0,0|2,0,0]=3 27 B26R2.850327 O=C(CCCCCCCCc1ccccc1)C(=O)Nc2ccccc2 1458a_100000738435_100009814296 [0,0,1,0,0,0|1,0,2]=4 28 B26R2.850327 O=C(CCCCCCCCc1ccccc1)[C@H](O)Cc2ccccc2 1458a_100009816399_100009814296 [0,0,1,0,0,0|2,0,1]=4 29 B26R2.850327 O=C(CCCCCCOCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_100012047231 [0,0,1,0,0,0|3,0,0]=4 30 B28R4.41200011 O=C(CN1CCCCC1Cc2ccccc2)c3cc4ccccc4o3 269982a_100000748602_100000209828 [0,0,0,1,0,0|3,0,0]=4 31 B28R4.41200011 O=C(CN1CCCCC1Cc2ccccc2)c3nc4ccccc4s3 2230a_100000748602_100000198972 [0,0,0,1,0,0|2,1,0]=4 32 B28R4.41200011 O=C(CN1CCCCC1Cc2ccccc2)c3nc4ccccc4s3 269982a_100000748602_100000198972 [0,0,0,1,0,0|2,1,0]=4 33 B28R4.41252118 O=C(CN1CCCC1CCc2ccccc2)c3cc4ccccc4o3 269982a_100000741814_100000209828 [0,0,0,1,0,0|3,0,0]=4 34 B28R4.41252118 O=C(CN1CCCC1CCc2ccccc2)c3nc4ccccc4s3 2230a_100000741814_100000198972 [0,0,0,1,0,0|2,1,0]=4 35 B28R4.41252118 O=C(CN1CCCC1CCc2ccccc2)c3nc4ccccc4s3 269982a_100000741814_100000198972 [0,0,0,1,0,0|2,1,0]=4 36 B26R3.4544491 O=C(CCCCCCCCc1ccccc1)C2Cc3c2cccc3 1458a_200000238571_100009814296 [0,0,0,0,1,0|2,0,1]=4 37 B26R3.39785884 O=C(CCCCCCCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200009813472 [0,0,0,0,1,0|3,0,0]=4 38 B26R3.39785884 O=C(CCCCCCCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200009813472 [0,0,0,0,1,0|2,0,1]=4 39 B26R3.39785884 O=C(CCCCCCCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_200000034917 [0,0,0,0,1,0|3,0,0]=4 40 B26R3.39785884 O=C(CCCCCCCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_200000034917 [0,0,0,0,1,0|3,0,0]=4 41 B26R3.39785884 O=C(CCCCCCCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_200000034917 [0,0,0,0,1,0|3,0,0]=4 42 B26R3.39785884 O=C(CCCCCCCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_200000034917 [0,0,0,0,1,0|3,0,0]=4 43 B26R3.39785884 O=C(CNCCCCCc1ccccc1)c2nc3ccccc3s2 2230a_100000750932_100000198972 [0,0,0,0,1,0|2,1,0]=4 44 B26R3.39785884 O=C(CSCCCCCc1ccccc1)c2cc3ccccc3o2 62a_200011217138_100000209828 [0,0,0,0,1,0|3,0,0]=4 45 B26R3.39785884 O=C(CSCCCCCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200011217138 [0,0,0,0,1,0|2,1,0]=4 46 B28R3.5993334 O=C(CCCCCCCCc1ccccc1)C2CCc3ccccc3O2 1458a_100000065239_100009814296 [0,0,0,0,0,1|2,0,1]=4 47 B28R3.5993334 O=C(CCCCCCCCc1ccccc1)C2COc3ccccc3C2 1458a_100000203760_100009814296 [0,0,0,0,0,1|2,0,1]=4 48 B28R3.5993334 O=C(CCCCCCCCc1ccccc1)C2COc3ccccc3O2 1458a_100000182656_100009814296 [0,0,0,0,0,1|2,0,1]=4 49 B28R3.5993334 O=C(CCCCCCCCc1ccccc1)C2Cc3ccccc3CO2 1458a_100009880028_100009814296 [0,0,0,0,0,1|2,0,1]=4 50 B28R3.5993334 O=C(CCCCCCCCc1ccccc1)c2ccc3nccnc3c2 1458a_100000184533_100009814296 [0,0,0,0,0,1|3,0,0]=4 51 B28R3.5993334 O=C(CCCCCCOCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_100012047231 [0,0,0,0,0,1|3,0,0]=4 52 B28R3.5993334 O=C(CCCCCCOCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_100012047231 [0,0,0,0,0,1|3,0,0]=4 53 B28R3.5993334 O=C(CCCCCCOCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_100012047231 [0,0,0,0,0,1|3,0,0]=4 54 B28R3.61045536 O=C(CCCCCCCCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100009814296 [0,0,0,0,0,1|1,0,0]=2 55 B28R3.61045536 O=C(CCCCCCCCc1ccccc1)Cn2cc3ccccc3n2 1458a_100000060251_100009814296 [0,0,0,0,0,1|3,0,0]=4 56 B28R3.61045536 O=C(CCCCCCOCc1ccccc1)Cc2cc3ccccc3o2 1458a_100000735538_100012047231 [0,0,0,0,0,1|3,0,0]=4 57 B28R3.61045536 O=C(CCCCCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_100012047231 [0,0,0,0,0,1|2,0,0]=3 58 B28R3.61045536 O=C(CCNCCCCCc1ccccc1)Nc2nc3ccccc3s2 2230a_100000750932_200011213626 [0,0,0,0,0,1|2,1,0]=4 59 B28R3.61045536 O=C(CCOCCCCCc1ccccc1)Nc2nc3ccccc3s2 7a_200011219639_200011213626 [0,0,0,0,0,1|2,1,0]=4 60 B28R3.61045536 O=C(COCCCCCCc1ccccc1)Nc2nc3ccccc3s2 7a_100011215581_100000752643 [0,0,0,0,0,1|2,1,0]=4 61 B28R3.119547728 O=C(CCCCCCCCCc1ccccc1)N2Cc3cccnc3C2 11a_100000726175_100000093948 [0,0,0,0,0,1|3,0,0]=4 62 B28R3.119547728 O=C(CCCCCCCCCc1ccccc1)N2Cc3cccnc3C2 1626a_100000726175_100000093948 [0,0,0,0,0,1|3,0,0]=4 63 B28R3.119547728 O=C(CCCCCCCCCc1ccccc1)N2Cc3cccnc3C2 240690a_100000726175_100000093948 [0,0,0,0,0,1|3,0,0]=4 64 B28R3.119547728 O=C(CCCCCCCCCc1ccccc1)N2Cc3cccnc3C2 527a_100000726175_100000093948 [0,0,0,0,0,1|3,0,0]=4 65 B28R3.119547728 O=C(CCCCCCCOCc1ccccc1)C2=Cc3ccccc3C2 1458a_100009862756_200160484810 [0,0,0,0,0,1|3,0,0]=4 66 B28R3.119547728 O=C(CCCCCCCOCc1ccccc1)C2Cc3ccccc3O2 1458a_100000209886_200160484810 [0,0,0,0,0,1|2,0,1]=4 67 B28R3.119547728 O=C(CSCCCCCCOc1ccccc1)c2nc3ccccc3s2 62a_100000198972_200012047174 [0,0,0,0,0,1|2,1,0]=4 68 B28R3.119547728 O=C(CSCCCCCOCc1ccccc1)c2cc3ccccc3o2 62a_100012032903_100000209828 [0,0,0,0,0,1|3,0,0]=4 69 B28R3.119547728 O=C(CSCCCCCOCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100012032903 [0,0,0,0,0,1|2,1,0]=4 70 B25R2.740231 O=C(C#Cc1ccccn1)CCCCCCCCc2ccccc2 1458a_102125277312_100009814296 [1,0,1,0,0,0|1,0,1]=4 71 B25R2.740231 O=C(C=Cc1ccccn1)CCCCCCCCc2ccccc2 1458a_100000740811_100009814296 [1,0,1,0,0,0|1,0,0]=3 72 B25R2.740231 O=C(C=Cc1ccccn1)CCCCCCOCc2ccccc2 1458a_100000740811_100012047231 [1,0,1,0,0,0|2,0,0]=4 73 B25R2.740231 O=C(C=Cc1cccnc1)CCCCCCCCc2ccccc2 1458a_100000735890_100009814296 [1,0,1,0,0,0|1,0,0]=3 74 B25R2.740231 O=C(C=Cc1cccnc1)CCCCCCOCc2ccccc2 1458a_100000735890_100012047231 [1,0,1,0,0,0|2,0,0]=4 75 B25R2.740231 O=C(CCCCCCCCc1ccccc1)CCc2ccccn2 1458a_100015195070_100009814296 [1,0,1,0,0,0|1,0,1]=4 76 B25R2.740231 O=C(CCCCCCCCc1ccccc1)CCc2cccnc2 1458a_100000198484_100009814296 [1,0,1,0,0,0|1,0,1]=4 77 B25R2.740231 O=C(CCCCCCCCc1ccccc1)COc2ccccc2 1458a_100000186222_100009814296 [1,0,1,0,0,0|1,0,1]=4 78 B25R2.740231 O=C(CCCCCCCCc1ccccc1)COc2ccccn2 1458a_100102699861_100009814296 [1,0,1,0,0,0|1,0,1]=4 79 B25R2.740231 O=C(CCCCCCCCc1ccccc1)COc2cccnc2 1458a_100015207166_100009814296 [1,0,1,0,0,0|0,0,1]=3 80 B25R2.740231 O=C(CCCCCCCCc1ccccc1)CSc2ccccn2 1458a_100000156281_100009814296 [1,0,1,0,0,0|1,0,1]=4 81 B25R2.740231 O=C(CCCCCCOCc1ccccc1)COc2cccnc2 1458a_100015207166_100012047231 [1,0,1,0,0,0|1,0,1]=4 82 B27R2.120178 COc1ncccc1C=CC(=O)CCCCCCCCc2ccccc2 1458a_100102601226_100009814296 [0,1,1,0,0,0|2,0,0]=4 83 B27R2.170514 O=C(CCCCCCCCc1ccccc1)C(=O)Nc2ccc(cn2)Cl 1458a_100011297360_100009814296 [0,1,1,0,0,0|0,0,2]=4 84 B27R3.44211927 O=C(CCCCCCCc1ccccc1)Cc2nc3ncccc3o2 1458a_200000034917_100000696355 [1,1,0,0,0,0|0,0,2]=4 85 B27R4.6917645 c1ccc(cc1)CCC2CCCCN2Cc3nc4ncccc4o3 2230a_100025719017_100000696355 [1,0,0,1,0,0|1,0,1]=4 86 B29R4.62618465 O=C(CN1CCCCC1CCc2ccccc2)c3cc4ccccc4o3 269982a_100025719017_100000209828 [0,0,0,1,0,1|2,0,0]=4 87 B29R4.62618465 O=C(CN1CCCCC1CCc2ccccc2)c3nc4ccccc4s3 2230a_100025719017_100000198972 [0,0,0,1,0,1|1,1,0]=4 88 B29R4.62618465 O=C(CN1CCCCC1CCc2ccccc2)c3nc4ccccc4s3 269982a_100025719017_100000198972 [0,0,0,1,0,1|1,1,0]=4 89 B25R2.218610 Cc1cccnc1CC(=O)CCCCCCCCc2ccccc2 1458a_200000722269_100009814296 [0,0,1,0,1,0|1,0,1]=4 90 B25R2.218610 O=C(CCCCCCCCc1ccccc1)Cc2ccccc2O 1458a_100000743006_100009814296 [0,0,1,0,1,0|1,0,1]=4 91 B25R2.218610 O=C(CCCCCCCCc1ccccc1)Cc2cccnc2Cl 1458a_100000093521_100009814296 [0,0,1,0,1,0|1,0,1]=4 92 B25R2.218610 O=C(CCCCCCCCc1ccccc1)Cc2ncccc2Br 1458a_200012357574_100009814296 [0,0,1,0,1,0|1,0,1]=4 93 B25R2.218610 O=C(CCCCCCCCc1ccccc1)Cc2ncccc2Cl 1458a_100011998755_100009814296 [0,0,1,0,1,0|1,0,1]=4 94 B25R2.218918 O=C(C=Cc1ccccc1O)CCCCCCCc2ccccc2 1458a_100016263591_200009813472 [0,0,1,0,1,0|2,0,0]=4 95 B25R2.740227 CC(C(=O)CCCCCCCCc1ccccc1)c2ccccn2 1458a_100000722050_100009814296 [0,0,1,0,1,0|1,0,1]=4 96 B25R2.740227 O=C(CCCCCCCCc1ccccc1)[C@H](O)c2ccccc2 1458a_100000684486_100009814296 [0,0,1,0,1,0|1,0,1]=4 97 B25R2.741402 C/C(=C\c1ccccn1)/C(=O)CCCCCCCc2ccccc2 1458a_100025712827_200009813472 [0,0,1,0,1,0|2,0,0]=4 98 B25R2.741402 O=C(CCCCCCCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200009813472 [0,0,1,0,1,0|2,0,0]=4 99 B25R3.6103231 c1ccc(cc1)CCCCCCOCc2nc3ccccc3o2 34a_100011215581_200012361514 [1,0,0,0,1,0|2,0,0]=4 100 B25R3.6103231 c1ccc(cc1)CCCCCCOCc2nc3ccccc3o2 7a_100011215581_100000195508 [1,0,0,0,1,0|2,0,0]=4 101 B25R3.6103231 c1ccc(cc1)CCCCCCOCc2nc3ncccc3o2 7a_100011215581_100000696355 [1,0,0,0,1,0|1,0,0]=3 102 B25R3.6103231 c1ccc(cc1)CCCCCCSCc2nc3ccccc3o2 62a_100011218729_100000195508 [1,0,0,0,1,0|2,0,0]=4 103 B25R3.6103231 c1ccc(cc1)CCCCCCSCc2nc3ncccc3o2 62a_100011218729_100000696355 [1,0,0,0,1,0|1,0,0]=3 104 B25R3.6103231 c1ccc(cc1)COCCCCNCc2nc3ncccc3o2 2230a_100000748060_100000696355 [1,0,0,0,1,0|2,0,0]=4 105 B25R3.6103231 c1ccc(cc1)COCCCCOCc2nc3ncccc3o2 7a_100011215074_100000696355 [1,0,0,0,1,0|2,0,0]=4 106 B25R3.6103231 c1ccc(cc1)COCCCCSCc2nc3ncccc3o2 62a_100011219843_100000696355 [1,0,0,0,1,0|2,0,0]=4 107 B25R3.6103231 c1ccc(cc1)OCCCCCSCc2nc3ncccc3o2 62a_200011777167_100000696355 [1,0,0,0,1,0|2,0,0]=4 108 B27R2.562728 O=C(C=Cc1ccccc1O)CCCCCCCOCc2ccccc2 1458a_100016263591_200160484810 [0,0,1,0,0,1|2,0,0]=4 109 B27R2.4445816 C/C(=C\c1ccccn1)/C(=O)CCCCCCCOCc2ccccc2 1458a_100025712827_200160484810 [0,0,1,0,0,1|2,0,0]=4 110 B27R2.4445816 O=C(CCCCCCCOCc1ccccc1)C(=Cc2cccnc2)F 1458a_100000731744_200160484810 [0,0,1,0,0,1|2,0,0]=4 111 B27R3.8767567 c1ccc(cc1)CCCCCCCCSc2cnc3cccnc3n2 62a_200010275043_100009814296 [1,0,0,0,0,1|2,0,0]=4 112 B27R3.8767567 c1ccc(cc1)CCCCCCCCSc2cnc3ncccc3n2 62a_100000084304_100009814296 [1,0,0,0,0,1|2,0,0]=4 113 B27R3.8767567 c1ccc(cc1)CCCCCCCCSc2ncc3cccnc3n2 62a_100009875485_100009814296 [1,0,0,0,0,1|2,0,0]=4 114 B27R3.8767640 c1ccc(cc1)CCCCCCCCOCc2nc3ccccc3o2 34a_100000033958_200012361514 [1,0,0,0,0,1|1,0,1]=4 115 B27R3.8767640 c1ccc(cc1)CCCCCCCCOCc2nc3ccccc3o2 7a_100000033958_100000195508 [1,0,0,0,0,1|1,0,1]=4 116 B27R3.8767640 c1ccc(cc1)CCCCCCCCOCc2nc3ncccc3o2 7a_100000033958_100000696355 [1,0,0,0,0,1|0,0,1]=3 117 B27R3.8767640 c1ccc(cc1)COCCCCCCOCc2nc3ncccc3o2 7a_100014105819_100000696355 [1,0,0,0,0,1|1,0,1]=4 118 B27R3.8767640 c1ccc(cc1)COCCCCCCSCc2nc3ncccc3o2 62a_100012047231_100000696355 [1,0,0,0,0,1|1,0,1]=4 119 B27R3.5024880 O=C(CCCCCCCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200009813472 [0,0,0,0,1,1|2,0,0]=4 120 B29R3.13466154 O=C(CCCCCCCOCc1ccccc1)C2=Cc3ccccc3OC2 1458a_100000018039_200160484810 [0,0,0,0,0,2|2,0,0]=4 121 B29R3.13466154 O=C(CCCCCCCOCc1ccccc1)c2ccc3cccnc3c2 1458a_100011933907_200160484810 [0,0,0,0,0,2|2,0,0]=4 122 B29R3.13466154 O=C(CCCCCCCOCc1ccccc1)c2ccc3ncccc3c2 1458a_100011216044_200160484810 [0,0,0,0,0,2|2,0,0]=4 123 B29R3.92705811 O=C(C=Cc1nc2ccccc2o1)CCCCCCOCc3ccccc3 1458a_100000697878_100012047231 [0,0,0,0,0,2|2,0,0]=4 124 B29R3.92705811 O=C(CCCCCCOCc1ccccc1)CSc2nc3ccccc3o2 1458a_200000179485_100012047231 [0,0,0,0,0,2|2,0,0]=4 125 B29R3.1270720591 O=C(CCCCCCCCCc1ccccc1)Cc2nc3cccnc3[nH]2 1458a_100000093948_100011549802 [0,0,0,0,0,2|1,0,1]=4 126 B29R3.1270720591 O=C(CCCCCCCCCc1ccccc1)Cc2nc3ncccc3o2 1458a_100000093948_100000696355 [0,0,0,0,0,2|0,0,0]=2 127 B29R3.1270720591 O=C(CCCCCCCOCc1ccccc1)Cc2nc3ccccc3o2 1458a_100015185861_200160484810 [0,0,0,0,0,2|1,0,0]=3 128 B29R3.1270720591 O=C(CCOCCCCCCc1ccccc1)Nc2nc3ccccc3s2 7a_100011215581_200011213626 [0,0,0,0,0,2|1,1,0]=4 129 B29R3.1270720591 O=C(COCCCCCCCc1ccccc1)Nc2nc3ccccc3s2 7a_100000042756_100000752643 [0,0,0,0,0,2|1,1,0]=4 130 B29R3.520744458 O=C(CSCCCCCCOCc1ccccc1)c2nc3ccccc3s2 62a_100000198972_100012047231 [0,0,0,0,0,2|1,1,0]=4