0 B27R3.44229976 CC1(CC(CCO1)NC(=O)C(C)(c2ccccc2)c3ccccc3)C 11a_100000696200_100000752439 [0,0,0,0,0,0|4,0,0]=4 1 B27R3.44229976 CC1(CC(CCO1)NC(=O)C(C)(c2ccccc2)c3ccccc3)C 1626a_100000696200_100000752439 [0,0,0,0,0,0|4,0,0]=4 2 B27R3.44229976 CC1(CC(CCO1)NC(=O)C(C)(c2ccccc2)c3ccccc3)C 240690a_100000696200_100000752439 [0,0,0,0,0,0|4,0,0]=4 3 B27R3.44229976 CC1(CC(CCO1)NC(=O)C(C)(c2ccccc2)c3ccccc3)C 527a_100000696200_100000752439 [0,0,0,0,0,0|4,0,0]=4 4 B27R3.44229976 C[C@H](NC1CCCC(C1)(C)C)C(O)(c2ccccc2)c3ccccc3 270004a_100016988073_100000031663 [0,0,0,0,0,0|3,0,1]=4 5 B26R3.4181998 CC1CCCC(C1)NC(=O)C(C)(c2ccccc2)c3ccccc3 11a_100011194320_100000752439 [1,0,0,0,0,0|3,0,0]=4 6 B26R3.4181998 CC1CCCC(C1)NC(=O)C(C)(c2ccccc2)c3ccccc3 1626a_100011194320_100000752439 [1,0,0,0,0,0|3,0,0]=4 7 B26R3.4181998 CC1CCCC(C1)NC(=O)C(C)(c2ccccc2)c3ccccc3 240690a_100011194320_100000752439 [1,0,0,0,0,0|3,0,0]=4 8 B26R3.4181998 CC1CCCC(C1)NC(=O)C(C)(c2ccccc2)c3ccccc3 527a_100011194320_100000752439 [1,0,0,0,0,0|3,0,0]=4 9 B26R3.4181998 CN1CCCC(C1)CC(=O)C(C)(c2ccccc2)c3ccccc3 1458a_100000752439_100015183302 [1,0,0,0,0,0|2,0,1]=4 10 B26R3.4181998 CN1CCC[C@@H](C1)NC(=O)C(C)(c2ccccc2)c3ccccc3 240690a_100016992120_100000752439 [1,0,0,0,0,0|2,0,1]=4 11 B26R3.4181998 CN1CCC[C@@H](C1)NC(=O)C(C)(c2ccccc2)c3ccccc3 527a_100016992120_100000752439 [1,0,0,0,0,0|2,0,1]=4 12 B26R3.39799657 CC1(CC(CCO1)NC(=O)C(c2ccccc2)c3ccccc3)C 11a_100000696200_100000210944 [1,0,0,0,0,0|3,0,0]=4 13 B26R3.39799657 CC1(CC(CCO1)NC(=O)C(c2ccccc2)c3ccccc3)C 1626a_100000696200_100000210944 [1,0,0,0,0,0|3,0,0]=4 14 B26R3.39799657 CC1(CC(CCO1)NC(=O)C(c2ccccc2)c3ccccc3)C 240690a_100000696200_100000210944 [1,0,0,0,0,0|3,0,0]=4 15 B26R3.39799657 CC1(CC(CCO1)NC(=O)C(c2ccccc2)c3ccccc3)C 527a_100000696200_100000210944 [1,0,0,0,0,0|3,0,0]=4 16 B28R3.7994060 CC(C(=O)N[C@H]1CC[C@@H](C(C1)(C)C)O)(c2ccccc2)c3ccccc3 11a_206256553148_100000752439 [0,1,0,0,0,0|3,0,0]=4 17 B28R3.7994060 CC(C(=O)N[C@H]1CC[C@@H](C(C1)(C)C)O)(c2ccccc2)c3ccccc3 1626a_206256553148_100000752439 [0,1,0,0,0,0|3,0,0]=4 18 B28R3.7994060 CC(C(=O)N[C@H]1CC[C@@H](C(C1)(C)C)O)(c2ccccc2)c3ccccc3 240690a_206256553148_100000752439 [0,1,0,0,0,0|3,0,0]=4 19 B28R3.7994060 CC(C(=O)N[C@H]1CC[C@@H](C(C1)(C)C)O)(c2ccccc2)c3ccccc3 527a_206256553148_100000752439 [0,1,0,0,0,0|3,0,0]=4 20 B28R3.117577674 COC(C(=O)OC1CCC[N+](C1)(C)C)(c2ccccc2)c3ccccc3 7a_200016990805_200000210301 [0,1,0,0,0,0|0,0,0]=1 21 B28R3.117577674 C[N+]1(CCCC(C1)OC(=O)C(O[13CH3])(c2ccccc2)c3ccccc3)C 7a_200016990805_200025704644 [0,1,0,0,0,0|0,0,0]=1 22 B28R3.375509642 CC1CC(CC(C1)(C)C)NC(=O)C(C)(c2ccccc2)c3ccccc3 11a_100011207991_100000752439 [0,1,0,0,0,0|3,0,0]=4 23 B28R3.375509642 CC1CC(CC(C1)(C)C)NC(=O)C(C)(c2ccccc2)c3ccccc3 1626a_100011207991_100000752439 [0,1,0,0,0,0|3,0,0]=4 24 B28R3.375509642 CC1CC(CC(C1)(C)C)NC(=O)C(C)(c2ccccc2)c3ccccc3 240690a_100011207991_100000752439 [0,1,0,0,0,0|3,0,0]=4 25 B28R3.375509642 CC1CC(CC(C1)(C)C)NC(=O)C(C)(c2ccccc2)c3ccccc3 527a_100011207991_100000752439 [0,1,0,0,0,0|3,0,0]=4 26 B26R2.839162 CC(C)CCCC(C)NC(=O)C(C)(c1ccccc1)c2ccccc2 11a_100000210607_100000752439 [0,0,1,0,0,0|3,0,0]=4 27 B26R2.839162 CC(C)CCCC(C)NC(=O)C(C)(c1ccccc1)c2ccccc2 1626a_100000210607_100000752439 [0,0,1,0,0,0|3,0,0]=4 28 B26R2.839162 CC(C)CCCC(C)NC(=O)C(C)(c1ccccc1)c2ccccc2 240690a_100000210607_100000752439 [0,0,1,0,0,0|3,0,0]=4 29 B26R2.839162 CC(C)CCCC(C)NC(=O)C(C)(c1ccccc1)c2ccccc2 527a_100000210607_100000752439 [0,0,1,0,0,0|3,0,0]=4 30 B26R2.20535064 CC(C(=O)CCCCC[N+](C)(C)C)(c1ccccc1)c2ccccc2 1458a_100000752439_100009813293 [0,0,1,0,0,0|2,0,0]=3 31 B28R4.1026019946 CC1(CC(CCO1)NC(=O)C2(c3ccccc3-c4c2cccc4)O)C 240690a_100000696200_100000056426 [0,0,0,1,0,0|3,0,0]=4 32 B26R3.72629705 CC1(CC(CCO1)C(=O)C(C)(c2ccccc2)c3ccccc3)C 1458a_100000752439_100010191092 [0,0,0,0,1,0|3,0,0]=4 33 B26R3.72629705 CC1(CCCN(C1)C(=O)C(C)(c2ccccc2)c3ccccc3)C 11a_100000716857_100000752439 [0,0,0,0,1,0|3,0,0]=4 34 B26R3.72629705 CC1(CCCN(C1)C(=O)C(C)(c2ccccc2)c3ccccc3)C 1626a_100000716857_100000752439 [0,0,0,0,1,0|3,0,0]=4 35 B26R3.72629705 CC1(CCCN(C1)C(=O)C(C)(c2ccccc2)c3ccccc3)C 240690a_100000716857_100000752439 [0,0,0,0,1,0|3,0,0]=4 36 B26R3.72629705 CC1(CCCN(C1)C(=O)C(C)(c2ccccc2)c3ccccc3)C 527a_100000716857_100000752439 [0,0,0,0,1,0|3,0,0]=4 37 B25R2.730232 CC(C)CCCC(C)NC(=O)C(c1ccccc1)c2ccccc2 11a_100000210607_100000210944 [1,0,1,0,0,0|2,0,0]=4 38 B25R2.730232 CC(C)CCCC(C)NC(=O)C(c1ccccc1)c2ccccc2 1626a_100000210607_100000210944 [1,0,1,0,0,0|2,0,0]=4 39 B25R2.730232 CC(C)CCCC(C)NC(=O)C(c1ccccc1)c2ccccc2 240690a_100000210607_100000210944 [1,0,1,0,0,0|2,0,0]=4 40 B25R2.730232 CC(C)CCCC(C)NC(=O)C(c1ccccc1)c2ccccc2 527a_100000210607_100000210944 [1,0,1,0,0,0|2,0,0]=4 41 B25R2.3700209 C[N+](C)(C)CCCCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100009813293 [1,0,1,0,0,0|1,0,0]=3 42 B25R3.2580977 CC1CCCC(C1)CC(=O)C(c2ccccc2)c3ccccc3 1458a_100000748788_100011216954 [2,0,0,0,0,0|2,0,0]=4 43 B25R3.2580977 CC1CCCC(C1)NC(=O)C(c2ccccc2)c3ccccc3 11a_100011194320_100000210944 [2,0,0,0,0,0|2,0,0]=4 44 B25R3.2580977 CC1CCCC(C1)NC(=O)C(c2ccccc2)c3ccccc3 1626a_100011194320_100000210944 [2,0,0,0,0,0|2,0,0]=4 45 B25R3.2580977 CC1CCCC(C1)NC(=O)C(c2ccccc2)c3ccccc3 240690a_100011194320_100000210944 [2,0,0,0,0,0|2,0,0]=4 46 B25R3.2580977 CC1CCCC(C1)NC(=O)C(c2ccccc2)c3ccccc3 527a_100011194320_100000210944 [2,0,0,0,0,0|2,0,0]=4 47 B25R3.2580977 CN1CCCC(C1)CC(=O)C(c2ccccc2)c3ccccc3 1458a_100000210944_100015183302 [2,0,0,0,0,0|1,0,1]=4 48 B25R3.2580977 CN1CCC[C@@H](C1)NC(=O)C(c2ccccc2)c3ccccc3 240690a_100016992120_100000210944 [2,0,0,0,0,0|1,0,1]=4 49 B25R3.2580977 CN1CCC[C@@H](C1)NC(=O)C(c2ccccc2)c3ccccc3 527a_100016992120_100000210944 [2,0,0,0,0,0|1,0,1]=4 50 B27R3.6409493 CC1(C[C@H](CC[C@@H]1O)NC(=O)C(c2ccccc2)c3ccccc3)C 11a_206256553148_100000210944 [1,1,0,0,0,0|2,0,0]=4 51 B27R3.6409493 CC1(C[C@H](CC[C@@H]1O)NC(=O)C(c2ccccc2)c3ccccc3)C 1626a_206256553148_100000210944 [1,1,0,0,0,0|2,0,0]=4 52 B27R3.6409493 CC1(C[C@H](CC[C@@H]1O)NC(=O)C(c2ccccc2)c3ccccc3)C 240690a_206256553148_100000210944 [1,1,0,0,0,0|2,0,0]=4 53 B27R3.6409493 CC1(C[C@H](CC[C@@H]1O)NC(=O)C(c2ccccc2)c3ccccc3)C 527a_206256553148_100000210944 [1,1,0,0,0,0|2,0,0]=4 54 B27R3.252610196 CC1CC(CC(C1)(C)C)NC(=O)C(c2ccccc2)c3ccccc3 11a_100011207991_100000210944 [1,1,0,0,0,0|2,0,0]=4 55 B27R3.252610196 CC1CC(CC(C1)(C)C)NC(=O)C(c2ccccc2)c3ccccc3 1626a_100011207991_100000210944 [1,1,0,0,0,0|2,0,0]=4 56 B27R3.252610196 CC1CC(CC(C1)(C)C)NC(=O)C(c2ccccc2)c3ccccc3 240690a_100011207991_100000210944 [1,1,0,0,0,0|2,0,0]=4 57 B27R3.252610196 CC1CC(CC(C1)(C)C)NC(=O)C(c2ccccc2)c3ccccc3 527a_100011207991_100000210944 [1,1,0,0,0,0|2,0,0]=4 58 B29R3.106095046 CCOC(C(=O)OC1CCC[N+](C1)(C)C)(c2ccccc2)c3ccccc3 7a_200016990805_100000210202 [0,2,0,0,0,0|0,0,0]=2 59 B29R3.106095046 C[N+]1(CCCC(C1)OC(=O)C(OCF)(c2ccccc2)c3ccccc3)C 7a_200016990805_100015361967 [0,2,0,0,0,0|0,0,0]=2 60 B27R3.283791988 CC(C)CCCC(C)NC(=O)C1(c2ccccc2-c3c1cccc3)O 240690a_100000210607_100000056426 [0,0,1,1,0,0|2,0,0]=4 61 B27R3.782244445 CC1(c2ccccc2-c3c1cccc3)C(=O)CCCCC[N+](C)(C)C 1458a_100015183572_100009813293 [0,0,1,1,0,0|2,0,0]=4 62 B27R3.782244445 C[N+](C)(C)CCCCCC(=O)C1(c2ccccc2-c3c1cccc3)O 1458a_100000056426_100009813293 [0,0,1,1,0,0|1,0,0]=3 63 B27R4.431961622 CC1CCCC(C1)NC(=O)C2(c3ccccc3-c4c2cccc4)O 240690a_100011194320_100000056426 [1,0,0,1,0,0|2,0,0]=4 64 B27R4.431961622 CN1CCCC(C1)CC(=O)C2(c3ccccc3-c4c2cccc4)O 1458a_100000056426_100015183302 [1,0,0,1,0,0|1,0,1]=4 65 B27R4.431961622 CN1CCC[C@@H](C1)NC(=O)C2(c3ccccc3-c4c2cccc4)O 240690a_100016992120_100000056426 [1,0,0,1,0,0|1,0,1]=4 66 B27R4.995641165 CC1(CC(CCO1)C(=O)C2(c3ccccc3-c4c2cccc4)O)C 1458a_100000056426_100010191092 [0,0,0,1,1,0|2,0,0]=4 67 B27R4.995641165 CC1(CCCN(C1)C(=O)C2(c3ccccc3-c4c2cccc4)O)C 240690a_100000716857_100000056426 [0,0,0,1,1,0|2,0,0]=4 68 B29R4.744524789 CC1(C[C@H](CC[C@@H]1O)NC(=O)C2(c3ccccc3-c4c2cccc4)O)C 240690a_206256553148_100000056426 [0,1,0,1,0,0|2,0,0]=4 69 B29R4.7426311834 CC1CC(CC(C1)(C)C)NC(=O)C2(c3ccccc3-c4c2cccc4)O 240690a_100011207991_100000056426 [0,1,0,1,0,0|2,0,0]=4 70 B25R3.4216255 CC1(CC(CCO1)C(=O)C(c2ccccc2)c3ccccc3)C 1458a_100000210944_100010191092 [1,0,0,0,1,0|2,0,0]=4 71 B25R3.4216255 CC1(CCCN(C1)C(=O)C(c2ccccc2)c3ccccc3)C 11a_100000716857_100000210944 [1,0,0,0,1,0|2,0,0]=4 72 B25R3.4216255 CC1(CCCN(C1)C(=O)C(c2ccccc2)c3ccccc3)C 1626a_100000716857_100000210944 [1,0,0,0,1,0|2,0,0]=4 73 B25R3.4216255 CC1(CCCN(C1)C(=O)C(c2ccccc2)c3ccccc3)C 240690a_100000716857_100000210944 [1,0,0,0,1,0|2,0,0]=4 74 B25R3.4216255 CC1(CCCN(C1)C(=O)C(c2ccccc2)c3ccccc3)C 527a_100000716857_100000210944 [1,0,0,0,1,0|2,0,0]=4 75 B27R2.27389440 CC(C(=O)CCCCCC[N+](C)(C)C)(c1ccccc1)c2ccccc2 1458a_100000752439_100009996864 [0,0,1,0,0,1|2,0,0]=4 76 B27R3.149577012 CC1(CCCC(C1)OCC(=O)N(c2ccccc2)c3ccccc3)C 7a_100011995757_200015198546 [1,0,0,0,0,1|2,0,0]=4