0 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,0,0,0|1,0,2]=4 8 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.411 CC1(CCCO1)C(=O)CF 1458a_100000684770_100015361967 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.411 CCC(=O)C1(CCCO1)C 1458a_100000684770_100000210202 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.411 CNC(=O)C1(CCCO1)C 11a_106832991635_100000684770 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.411 CNC(=O)C1(CCCO1)C 1626a_100102657272_100000684770 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.411 CNC(=O)C1(CCCO1)C 240690a_100102657272_100000684770 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.411 CNC(=O)C1(CCCO1)C 527a_100102657272_100000684770 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.470 CC(=O)C1(CCN(C1)C)C 1458a_100011814562_200000210301 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.470 CN1CCC(C1)(C)C(=O)[13CH3] 1458a_100011814562_200025704644 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.477 CC(=O)C1(CCCC1)C#N 1458a_100000209868_200000210301 [0,1,0,0,0,0|1,0,1]=3 59 B10R1.477 CNC1(CCCC1)C(=O)N 2230a_100000755618_200000210301 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.477 CNC1(CCCC1)C(=O)N 34a_100000755618_200000210301 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,1,0,0,0,0|0,0,0]=1 62 B10R1.477 [13CH3]C(=O)C1(CCCC1)C#N 1458a_100000209868_200025704644 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 2230a_100000755618_200025704644 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.477 [13CH3]NC1(CCCC1)C(=O)N 34a_100000755618_200025704644 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,1,0,0,0,0|0,0,0]=1 66 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,1,0,0,0|2,0,0]=3 72 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,1,0,0,0|3,0,0]=4 76 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,1,0,0,0|3,0,0]=4 78 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,1,0,0,0|3,0,0]=4 81 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,0,1,0,0,0|2,0,1]=4 83 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,1,0,0,0|3,0,0]=4 86 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,0,1,0,0,0|2,0,1]=4 93 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,0,1,0,0,0|2,0,1]=4 94 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,1,0,0,0|2,0,0]=3 95 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,1,0,0,0|2,0,0]=3 96 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,0,1,0,0,0|2,0,0]=3 99 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,1,0,0,0|3,0,0]=4 101 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,1,0,0,0|3,0,0]=4 102 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,0,1,0,0,0|3,0,0]=4 103 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,1,0,0,0|3,0,0]=4 105 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,0,1,0,0,0|3,0,0]=4 106 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,1,0,0,0|3,0,0]=4 107 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,0,1,0,0,0|3,0,0]=4 108 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,0,1,0,0,0|3,0,0]=4 109 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,0,1,0,0,0|2,0,0]=3 110 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,0,1,0,0,0|3,0,0]=4 111 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,0,1,0,0,0|3,0,0]=4 112 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,0,1,0,0,0|3,0,0]=4 113 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,0,1,0,0,0|2,0,0]=3 114 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,0,1,0,0,0|3,0,0]=4 116 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,0,1,0,0,0|3,0,0]=4 120 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,0,1,0,0,0|3,0,0]=4 124 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,0,1,0,0,0|3,0,0]=4 125 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,0,1,0,0,0|3,0,0]=4 126 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,0,1,0,0,0|3,0,0]=4 127 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,0,1,0,0,0|3,0,0]=4 128 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,0,1,0,0,0|3,0,0]=4 131 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,0,1,0,0,0|3,0,0]=4 134 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,0,1,0,0,0|3,0,0]=4 135 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,0,1,0,0,0|3,0,0]=4 136 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,0,1,0,0,0|3,0,0]=4 137 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,0,1,0,0,0|2,0,0]=3 140 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,0,1,0,0,0|2,0,0]=3 141 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,0,1,0,0,0|2,0,0]=3 142 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,0,1,0,0,0|2,0,0]=3 143 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,0,1,0,0,0|2,0,0]=3 144 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,0,1,0|2,0,0]=3 145 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,0,1,0|2,0,0]=3 146 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,0,0,0,1,0|3,0,0]=4 147 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,0,0,0,1,0|3,0,0]=4 148 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,0,1,0|2,0,0]=3 149 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,0,0,0,1,0|3,0,0]=4 150 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,0,1,0|2,0,0]=3 151 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,0,0,0,1,0|3,0,0]=4 152 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,0,0,0,0,1|2,0,0]=3 155 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,0,0,0,0,1|2,0,0]=3 156 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,0,0,0,0,1|2,0,0]=3 158 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,0,0,0,0,1|2,0,0]=3 162 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,0,0,0,0,1|2,0,0]=3 164 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [0,0,0,0,0,1|3,0,0]=4 168 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,1,0,0,0|2,0,0]=4 169 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|2,0,0]=4 171 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|2,0,0]=4 172 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 173 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 174 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,1,0,0,0|2,0,0]=4 175 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,1,0,0,0|2,0,0]=4 176 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|1,0,0]=3 177 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|1,0,0]=3 178 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|1,0,0]=3 179 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 180 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 181 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 182 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,1,0,0,0|2,0,0]=4 183 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,1,0,0,0|2,0,0]=4 184 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|1,0,0]=3 185 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,1,0,0,0|2,0,0]=4 186 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,1,0,0,0|2,0,0]=4 187 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,1,0,0,0|2,0,0]=4 188 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,1,0,0,0|2,0,0]=4 189 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|2,0,0]=4 191 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,1,0,0,0|2,0,0]=4 192 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,1,0,0,0|2,0,0]=4 193 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|2,0,0]=4 194 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,1,0,0,0|1,0,1]=4 195 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,1,0,0,0|1,0,1]=4 196 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,1,0,0,0|2,0,0]=4 197 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,1,0,0,0|2,0,0]=4 198 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,1,0,0,0|2,0,0]=4 199 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 202 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 203 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,1,0,0,0|2,0,0]=4 204 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 205 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,1,0,0,0|2,0,0]=4 206 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,1,0,0,0|2,0,0]=4 207 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,1,0,0,0|2,0,0]=4 208 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,1,0,0,0|2,0,0]=4 209 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,1,0,0,0|2,0,0]=4 211 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,1,0,0,0|2,0,0]=4 212 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,1,0,0,0|2,0,0]=4 213 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,1,0,0,0|2,0,0]=4 214 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,1,0,0,0|2,0,0]=4 215 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,1,0,0,0|2,0,0]=4 218 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,1,0,0,0|2,0,0]=4 219 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,1,0,0,0|2,0,0]=4 220 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 221 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,1,0,0,0|2,0,0]=4 222 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,1,0,0,0|2,0,0]=4 231 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,1,0,0,0|2,0,0]=4 232 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,1,0,0,0|2,0,0]=4 233 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|2,0,0]=4 235 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,1,0,0,0|2,0,0]=4 239 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,1,0,0,0|2,0,0]=4 240 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 241 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 242 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,1,0,0,0|1,0,0]=3 243 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,1,0,0,0|1,0,0]=3 244 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,1,0,0,0|1,0,0]=3 245 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 249 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,1,0,0,0|2,0,0]=4 252 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,1,0,0,0|2,0,0]=4 253 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,1,0,0,0|1,0,0]=3 255 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,1,0,0,0|2,0,0]=4 257 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,1,0,0,0|2,0,0]=4 259 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,1,0,0,0|1,0,1]=4 262 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,1,0,0,0|2,0,0]=4 268 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,1,0,0,0|1,0,0]=3 271 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,0,1,0,0,0|2,0,0]=4 278 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,1,0,0,0|2,0,0]=4 279 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,0,1,0,0,0|2,0,0]=4 284 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,0,1,0,0,0|2,0,0]=4 285 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,0,1,0,0,0|2,0,0]=4 286 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,1,0,0,0|1,0,0]=3 288 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,1,0,0,0|1,0,0]=3 289 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,1,0,0,0|1,0,0]=3 290 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,0,1,0,0,0|2,0,0]=4 294 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,0,1,0,0,0|2,0,0]=4 295 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,0,1,0,0,0|2,0,0]=4 296 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 307 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,0,1,0,0,0|2,0,0]=4 308 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,1,0,0,0|1,0,0]=3 309 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,1,0,0,0|1,0,0]=3 310 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,0,1,0,0,0|2,0,0]=4 312 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [2,0,0,0,0,0|2,0,0]=4 313 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [2,0,0,0,0,0|2,0,0]=4 314 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [2,0,0,0,0,0|2,0,0]=4 315 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [2,0,0,0,0,0|2,0,0]=4 320 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [2,0,0,0,0,0|2,0,0]=4 321 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [2,0,0,0,0,0|2,0,0]=4 323 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [2,0,0,0,0,0|2,0,0]=4 326 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [2,0,0,0,0,0|2,0,0]=4 327 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [2,0,0,0,0,0|2,0,0]=4 329 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,1,0,0,0|2,0,0]=4 330 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,1,0,0,0|2,0,0]=4 331 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,1,0,0,0|2,0,0]=4 332 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,1,0,0,0|2,0,0]=4 333 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,1,0,0,0|2,0,0]=4 334 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,1,0,0,0|2,0,0]=4 336 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,1,0,0,0|2,0,0]=4 337 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,1,0,0,0|2,0,0]=4 338 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,1,0,0,0|2,0,0]=4 339 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,1,0,0,0|2,0,0]=4 340 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,1,0,0,0|2,0,0]=4 341 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,1,0,0,0|2,0,0]=4 342 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,1,0,0,0|2,0,0]=4 343 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,1,0,0,0|1,0,0]=3 344 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,1,0,0,0|2,0,0]=4 345 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 346 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 347 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,1,0,0,0|2,0,0]=4 349 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,1,0,0,0|2,0,0]=4 350 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,1,0,0,0|2,0,0]=4 351 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,1,0,0,0|2,0,0]=4 352 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,1,0,0,0|2,0,0]=4 353 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,1,0,0,0|2,0,0]=4 354 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,1,0,0,0|2,0,0]=4 355 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,1,0,0,0|2,0,0]=4 356 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,1,0,0,0|2,0,0]=4 357 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,1,0,0,0|2,0,0]=4 358 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,1,0,0,0|2,0,0]=4 359 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,1,0,0,0|2,0,0]=4 360 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,1,0,0,0|2,0,0]=4 361 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,1,0,0,0|2,0,0]=4 362 B9R0.8 CCOCC(N)C(=O)NN 34a_100016989258_100000210202 [0,1,1,0,0,0|2,0,0]=4 363 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,1,0,0,0|1,0,0]=3 364 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,1,0,0,0|2,0,0]=4 365 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,1,0,0,0|2,0,0]=4 366 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,1,0,0,0|2,0,0]=4 368 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,1,0,0,0|2,0,0]=4 370 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,1,0,0,0|2,0,0]=4 371 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,1,0,0,0|2,0,0]=4 372 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,1,0,0,0|2,0,0]=4 373 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,1,1,0,0,0|2,0,0]=4 374 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,1,0,0,0|2,0,0]=4 375 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,1,1,0,0,0|2,0,0]=4 376 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,1,0,0,0|2,0,0]=4 377 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,1,0,0,0|2,0,0]=4 378 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,1,0,0,0|2,0,0]=4 379 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,1,0,0,0|1,0,0]=3 380 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,1,0,0,0|1,0,0]=3 381 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,1,0,0,0|1,0,0]=3 382 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,1,0,0,0|2,0,0]=4 383 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,1,0,0,0|2,0,0]=4 385 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,1,0,0,0|2,0,0]=4 386 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,1,0,0,0|1,0,0]=3 388 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,1,0,0,0|1,0,0]=3 389 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,1,0,0,0|1,0,0]=3 390 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,1,0,0,0|1,0,0]=3 391 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,1,0,0,0|2,0,0]=4 392 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,1,1,0,0,0|2,0,0]=4 395 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,1,0,0,0|1,0,0]=3 396 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,1,0,0,0|1,0,0]=3 397 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,1,1,0,0,0|2,0,0]=4 398 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,1,1,0,0,0|2,0,0]=4 399 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,1,0,0,0|1,0,0]=3 400 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,1,0,0,0|1,0,0]=3 401 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,1,0,0,0|2,0,0]=4 402 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,1,0,0,0|2,0,0]=4 403 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,1,0,0,0|2,0,0]=4 404 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,1,0,0,0|2,0,0]=4 405 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,1,0,0,0|2,0,0]=4 406 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,1,0,0,0|2,0,0]=4 407 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,1,0,0,0|2,0,0]=4 408 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,1,0,0,0|2,0,0]=4 409 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,1,0,0,0|2,0,0]=4 410 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,1,0,0,0|2,0,0]=4 411 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,1,0,0,0|2,0,0]=4 412 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,1,0,0,0|2,0,0]=4 413 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,1,0,0,0|1,0,0]=3 414 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,1,0,0,0|2,0,0]=4 415 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,1,0,0,0|2,0,0]=4 416 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,1,0,0,0|2,0,0]=4 417 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,1,0,0,0|2,0,0]=4 418 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,1,0,0,0|2,0,0]=4 419 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,1,0,0,0|2,0,0]=4 420 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,1,0,0,0|2,0,0]=4 421 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,1,0,0,0|2,0,0]=4 422 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,1,0,0,0|1,0,1]=4 423 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,1,0,0,0|1,0,1]=4 424 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,1,0,0,0|2,0,0]=4 425 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,1,0,0,0|2,0,0]=4 426 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,1,0,0,0|2,0,0]=4 427 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,1,0,0,0|2,0,0]=4 428 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,1,0,0,0|2,0,0]=4 429 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,1,0,0,0|2,0,0]=4 430 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,1,0,0,0|2,0,0]=4 431 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,1,0,0,0|2,0,0]=4 432 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,1,0,0,0|2,0,0]=4 433 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,1,0,0,0|2,0,0]=4 434 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,1,0,0,0|1,0,1]=4 435 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,1,0,0,0|1,0,1]=4 436 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,1,0,0,0|1,0,0]=3 437 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,1,0,0,0|1,0,0]=3 438 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,1,0,0,0|2,0,0]=4 439 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,1,0,0,0|2,0,0]=4 440 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,1,0,0,0|1,0,0]=3 441 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,1,0,0,0|2,0,0]=4 442 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,1,0,0,0|2,0,0]=4 443 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,1,0,0,0|2,0,0]=4 444 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,1,0,0,0|2,0,0]=4 445 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,1,0,0,0|2,0,0]=4 446 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,1,0,0,0|2,0,0]=4 447 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,1,0,0,0|2,0,0]=4 448 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,1,0,0,0|2,0,0]=4 449 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,1,0,0,0|2,0,0]=4 450 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,1,0,0,0|2,0,0]=4 451 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,1,1,0,0,0|2,0,0]=4 452 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,1,1,0,0,0|2,0,0]=4 453 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,1,0,0,0|2,0,0]=4 454 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,1,0,0,0|2,0,0]=4 455 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,1,0,0,0|2,0,0]=4 456 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,1,0,0,0|2,0,0]=4 457 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,1,0,0,0|2,0,0]=4 458 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,1,0,0,0|2,0,0]=4 459 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,1,1,0,0,0|2,0,0]=4 460 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,1,1,0,0,0|2,0,0]=4 461 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,1,1,0,0,0|2,0,0]=4 462 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,1,1,0,0,0|2,0,0]=4 463 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,1,1,0,0,0|2,0,0]=4 464 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,1,1,0,0,0|2,0,0]=4 465 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,1,1,0,0,0|2,0,0]=4 466 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,1,1,0,0,0|2,0,0]=4 467 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,1,1,0,0,0|2,0,0]=4 468 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,1,1,0,0,0|2,0,0]=4 469 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,1,1,0,0,0|2,0,0]=4 470 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,1,1,0,0,0|2,0,0]=4 471 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,1,1,0,0,0|2,0,0]=4 472 B9R0.60 CCNC(C)(F)C(=O)OC 2230a_100015525214_200009867631 [0,1,1,0,0,0|2,0,0]=4 473 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,1,1,0,0,0|2,0,0]=4 474 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,1,1,0,0,0|2,0,0]=4 475 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,1,1,0,0,0|2,0,0]=4 476 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,1,1,0,0,0|2,0,0]=4 477 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,1,1,0,0,0|2,0,0]=4 478 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,1,1,0,0,0|2,0,0]=4 479 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,1,1,0,0,0|2,0,0]=4 480 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,1,1,0,0,0|2,0,0]=4 481 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,1,1,0,0,0|2,0,0]=4 482 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,1,1,0,0,0|2,0,0]=4 483 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,1,1,0,0,0|2,0,0]=4 484 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,1,1,0,0,0|2,0,0]=4 485 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,1,1,0,0,0|2,0,0]=4 486 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,1,1,0,0,0|2,0,0]=4 487 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,1,1,0,0,0|2,0,0]=4 488 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,1,1,0,0,0|2,0,0]=4 489 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,1,1,0,0,0|2,0,0]=4 490 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,1,1,0,0,0|2,0,0]=4 491 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,1,1,0,0,0|2,0,0]=4 492 B9R0.69 C#CC(=O)C(C)(CC)CC 1458a_100000211873_100009817345 [0,1,1,0,0,0|2,0,0]=4 493 B9R0.69 C=CC(=O)C(C)(CC)CC 1458a_100000185746_100009817345 [0,1,1,0,0,0|2,0,0]=4 494 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000210414_100009817345 [0,1,1,0,0,0|2,0,0]=4 495 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000760562_100000210202 [0,1,1,0,0,0|2,0,0]=4 496 B9R0.69 CCC(C)(CC)C(=O)CF 1458a_100000760562_100015361967 [0,1,1,0,0,0|2,0,0]=4 497 B9R0.69 CCC(C)(CC)C(=O)CO 1458a_100000210174_100009817345 [0,1,1,0,0,0|1,0,0]=3 498 B9R0.69 CCC(C)(CC)C(=O)NC 11a_106832991635_100000760562 [0,1,1,0,0,0|2,0,0]=4 499 B9R0.69 CCC(C)(CC)C(=O)NC 1626a_100102657272_100000760562 [0,1,1,0,0,0|2,0,0]=4 500 B9R0.69 CCC(C)(CC)C(=O)NC 240690a_100102657272_100000760562 [0,1,1,0,0,0|2,0,0]=4 501 B9R0.69 CCC(C)(CC)C(=O)NC 527a_100102657272_100000760562 [0,1,1,0,0,0|2,0,0]=4 502 B9R0.78 CCC(C#N)(CC)C(=O)C 1458a_100011499467_200000210301 [0,1,1,0,0,0|1,0,1]=4 503 B9R0.78 CCC(C#N)(CC)C(=O)[13CH3] 1458a_100011499467_200025704644 [0,1,1,0,0,0|1,0,1]=4 504 B9R0.78 CCC(CC)(CC)C(=O)C 1458a_100000070787_200010884430 [0,1,1,0,0,0|2,0,0]=4 505 B9R0.78 CCC(CC)(NC)C(=O)O 269956a_100000727939_200000210301 [0,1,1,0,0,0|0,0,0]=2 506 B9R0.78 CCC(CC)(N[13CH3])C(=O)O 269956a_100000727939_200025704644 [0,1,1,0,0,0|0,0,0]=2 507 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,1,0,0,0,0|0,0,0]=2 547 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,1,0,0,0,0|1,0,0]=3 573 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,1,0,0,0,0|1,0,0]=3 587 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.134 COCC1(CCCC1)N 34a_100000749328_200000210301 [1,1,0,0,0,0|0,0,1]=3 590 B9R1.134 [13CH3]OCC1(CCCC1)N 34a_100000749328_200025704644 [1,1,0,0,0,0|0,0,1]=3 591 B9R1.204 CCC1(CCCC1)NC 2230a_100015183760_200000210301 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.204 CCC1(CCCC1)N[13CH3] 2230a_100015183760_200025704644 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.204 CNC1(CCCC1)C#N 34a_100000738132_200000210301 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.204 CNC1(CCCC1)CO 2230a_100000749328_200000210301 [1,1,0,0,0,0|0,0,1]=3 595 B9R1.204 CNC1(CCCC1)CO 34a_100000749328_200000210301 [1,1,0,0,0,0|0,0,1]=3 596 B9R1.204 COC1(CCCC1)CN 34a_100000737848_200000210301 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.204 [13CH3]NC1(CCCC1)C#N 34a_100000738132_200025704644 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.204 [13CH3]NC1(CCCC1)CO 2230a_100000749328_200025704644 [1,1,0,0,0,0|0,0,1]=3 599 B9R1.204 [13CH3]NC1(CCCC1)CO 34a_100000749328_200025704644 [1,1,0,0,0,0|0,0,1]=3 600 B9R1.204 [13CH3]OC1(CCCC1)CN 34a_100000737848_200025704644 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.119 CC(=O)C1(CCC1)C#N 1458a_100000752263_200000210301 [0,1,0,0,1,0|1,0,1]=4 602 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,1,0,0,1,0|2,0,0]=4 603 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,1,0,0,1,0|2,0,0]=4 604 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,1,0,0,1,0|0,0,0]=2 605 B9R1.119 [13CH3]C(=O)C1(CCC1)C#N 1458a_100000752263_200025704644 [0,1,0,0,1,0|1,0,1]=4 606 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,1,0,0,1,0|0,0,0]=2 607 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,0,1,0|2,0,0]=4 608 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,0,1,0|2,0,0]=4 609 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,0,1,0|2,0,0]=4 610 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,0,1,0|2,0,0]=4 611 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,0,1,0|2,0,0]=4 612 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,0,1,0|2,0,0]=4 613 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,0,1,0|2,0,0]=4 614 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,0,1,0|2,0,0]=4 615 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,0,1,0|2,0,0]=4 616 B11R1.220 CC(=O)C1(CCN(CC1)C)O 1458a_100015186493_200000210301 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.220 CC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000699452_200025704644 [0,1,0,0,0,1|1,0,0]=3 618 B11R1.220 CN1CCC(CC1)(C)C(=O)O 269956a_100000699452_200000210301 [0,1,0,0,0,1|1,0,0]=3 619 B11R1.220 CN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200000210301 [0,1,0,0,0,1|1,0,0]=3 620 B11R1.220 CN1CCC(CC1)(O)C(=O)[13CH3] 1458a_100015186493_200025704644 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.220 [13CH3]N1CCC(CC1)(F)C(=O)O 269956a_100020586884_200025704644 [0,1,0,0,0,1|1,0,0]=3 622 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,1,0,0,0,1|1,0,0]=3 623 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,1,0,0,0,1|1,0,0]=3 624 B11R1.878 CC1(CCCCC1)C(=O)CF 1458a_100000762840_100015361967 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.878 CC1(CCOCC1)C(=O)CF 1458a_100000749465_100015361967 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.878 CCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210202 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.878 CCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210202 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.878 CCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210202 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.878 CCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210202 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.878 CCC(=O)C1(CCOCC1)F 1458a_100009845733_100000210202 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.878 CCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210202 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.878 CNC(=O)C1(CCCCC1)C 11a_106832991635_100000762840 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.878 CNC(=O)C1(CCCCC1)C 1626a_100102657272_100000762840 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.878 CNC(=O)C1(CCCCC1)C 240690a_100102657272_100000762840 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.878 CNC(=O)C1(CCCCC1)C 527a_100102657272_100000762840 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.878 CNC(=O)C1(CCCCC1)F 11a_106832991635_100000069003 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.878 CNC(=O)C1(CCCCC1)F 1626a_100102657272_100000069003 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.878 CNC(=O)C1(CCCCC1)F 240690a_100102657272_100000069003 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.878 CNC(=O)C1(CCCCC1)F 527a_100102657272_100000069003 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.878 CNC(=O)C1(CCCCC1)O 240690a_100102657272_100000242742 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.878 CNC(=O)C1(CCOCC1)C 11a_106832991635_100000749465 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.878 CNC(=O)C1(CCOCC1)C 1626a_100102657272_100000749465 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.878 CNC(=O)C1(CCOCC1)C 240690a_100102657272_100000749465 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.878 CNC(=O)C1(CCOCC1)C 527a_100102657272_100000749465 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.878 CNC(=O)C1(CCOCC1)F 11a_106832991635_100009845733 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.878 CNC(=O)C1(CCOCC1)F 1626a_100102657272_100009845733 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.878 CNC(=O)C1(CCOCC1)F 240690a_100102657272_100009845733 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.878 CNC(=O)C1(CCOCC1)F 527a_100102657272_100009845733 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.878 CNC(=O)C1(CCOCC1)O 240690a_100102657272_100000751969 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.878 O=C(CF)C1(CCCCC1)F 1458a_100000069003_100015361967 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.878 O=C(CF)C1(CCCCC1)O 1458a_100000242742_100015361967 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.878 O=C(CF)C1(CCOCC1)F 1458a_100009845733_100015361967 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.878 O=C(CF)C1(CCOCC1)O 1458a_100000751969_100015361967 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.1074 CC(=O)C1(CCCCC1)C#N 1458a_100000745063_200000210301 [0,1,0,0,0,1|1,0,1]=4 655 B11R1.1074 CC(=O)C1(CCOCC1)C#N 1458a_100000754344_200000210301 [0,1,0,0,0,1|1,0,1]=4 656 B11R1.1074 CC(=O)C1(CCOCC1)CO 1458a_100012175746_200000210301 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.1074 CNC1(CCCCC1)C(=O)N 2230a_100000746659_200000210301 [0,1,0,0,0,1|1,0,0]=3 658 B11R1.1074 CNC1(CCCCC1)C(=O)N 34a_100000746659_200000210301 [0,1,0,0,0,1|1,0,0]=3 659 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,1,0,0,0,1|0,0,0]=2 660 B11R1.1074 CNC1(CCOCC1)C(=O)O 269956a_100015194771_200000210301 [0,1,0,0,0,1|0,0,0]=2 661 B11R1.1074 [13CH3]C(=O)C1(CCCCC1)C#N 1458a_100000745063_200025704644 [0,1,0,0,0,1|1,0,1]=4 662 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)C#N 1458a_100000754344_200025704644 [0,1,0,0,0,1|1,0,1]=4 663 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)CO 1458a_100012175746_200025704644 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 2230a_100000746659_200025704644 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 34a_100000746659_200025704644 [0,1,0,0,0,1|1,0,0]=3 666 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,1,0,0,0,1|0,0,0]=2 667 B11R1.1074 [13CH3]NC1(CCOCC1)C(=O)O 269956a_100015194771_200025704644 [0,1,0,0,0,1|0,0,0]=2 668 B11R1.895 CC1(CCOC1)NC(=O)CO 240690a_100000693475_100000210174 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.895 CC1(CCOC1)NC(=O)CO 527a_100000693475_100000210174 [0,1,0,0,0,1|2,0,0]=4 670 B11R1.1062 CC(=O)NC1(CCCC1)C#N 11a_100000738132_100015343762 [0,1,0,0,0,1|1,0,1]=4 671 B11R1.1062 CC(=O)NC1(CCCC1)C#N 1626a_100000738132_100015343762 [0,1,0,0,0,1|1,0,1]=4 672 B11R1.1062 CC(=O)NC1(CCCC1)C#N 240690a_100000738132_100015343762 [0,1,0,0,0,1|1,0,1]=4 673 B11R1.1062 CC(=O)NC1(CCCC1)C#N 527a_100000738132_100103153847 [0,1,0,0,0,1|1,0,1]=4 674 B11R1.1062 CC(=O)NC1(CCCC1)CO 240690a_100000749328_100015343762 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.1062 CC(=O)NC1(CCCC1)CO 527a_100000749328_100103153847 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.1062 CCC1(CCCC1)NC(=O)C 11a_100015183760_100015343762 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.1062 CCC1(CCCC1)NC(=O)C 1626a_100015183760_100015343762 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.1062 CCC1(CCCC1)NC(=O)C 240690a_100015183760_100015343762 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.1062 CCC1(CCCC1)NC(=O)C 527a_100015183760_100103153847 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.1064 CCC1(CCCN1C)C(=O)O 269956a_100000695297_200000210301 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.1064 CCC1(CCCN1[13CH3])C(=O)O 269956a_100000695297_200025704644 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 2230a_100000719487_200000210301 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 269982a_100000719487_200000210301 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 34a_100000719487_200000210301 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 2230a_100000719487_200025704644 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 269982a_100000719487_200025704644 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 34a_100000719487_200025704644 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.819 C#CCC(=O)C1(CCCC1)C 1458a_100000239728_100000184674 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.819 C#CCC(=O)C1(CCCC1)O 1458a_100000242637_100000184674 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.819 C=CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210623 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.819 C=CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210623 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.819 CC1(CCCC1)C(=O)CC#N 1458a_100000239728_100011214920 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.819 CC1(CCCC1)C(=O)CCF 1458a_100000239728_100011217306 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.819 CC1(CCCC1)C(=O)CCO 1458a_100000239728_100000211926 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.819 CC1(CCCO1)C(=O)CCO 1458a_100000684770_100000211926 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.819 CCNC(=O)C1(CCCC1)O 240690a_100015525214_100000242637 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.819 CCNC(=O)C1(CCCC1)O 527a_100015525214_100000242637 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.819 CNNC(=O)C1(CCCC1)C 22a_100016993582_100000239728 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.819 CNNC(=O)C1(CCCC1)O 22a_100016993582_100000242637 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.819 N#CCC(=O)C1(CCCC1)O 1458a_100000242637_100011214920 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.819 O=C(CCF)C1(CCCC1)O 1458a_100000242637_100011217306 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.819 O=C(CCO)C1(CCCC1)O 1458a_100000242637_100000211926 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.1472 CCC(=O)C1(CCCC1)C#N 1458a_100000209868_100000210202 [0,2,0,0,0,0|1,0,1]=4 711 B11R1.1472 CNC(=O)C1(CCCC1)C#N 11a_106832991635_100000209868 [0,2,0,0,0,0|1,0,1]=4 712 B11R1.1472 CNC(=O)C1(CCCC1)C#N 1626a_100102657272_100000209868 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.1472 CNC(=O)C1(CCCC1)C#N 240690a_100102657272_100000209868 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.1472 N#CC1(CCCC1)C(=O)CF 1458a_100000209868_100015361967 [0,2,0,0,0,0|1,0,1]=4 715 B11R1.1239 CCNC1(CCCC1)C(=O)N 2230a_100000755618_100000210202 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.1239 CCNC1(CCCC1)C(=O)N 34a_100000755618_100000210202 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [0,2,0,0,0,0|0,0,0]=2 718 B11R1.1239 CNCC1(CCCC1)C(=O)O 269956a_100000695985_200000210301 [0,2,0,0,0,0|0,0,0]=2 719 B11R1.1239 NC(=O)C1(CCCC1)NCF 34a_100000755618_100015361967 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.1239 O=C(O)C1(CCCC1)NCF 269956a_100000739329_100015361967 [0,2,0,0,0,0|0,0,0]=2 721 B11R1.1239 [13CH3]NCC1(CCCC1)C(=O)O 269956a_100000695985_200025704644 [0,2,0,0,0,0|0,0,0]=2 722 B11R1.1385 CN(C)C1(CCCC1)C(=O)O 269956a_106744497834_200000210301 [0,2,0,0,0,0|0,0,0]=2 723 B11R1.1385 CN([13CH3])C1(CCCC1)C(=O)O 269956a_106744497834_200025704644 [0,2,0,0,0,0|0,0,0]=2 724 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,1,1,0,0|2,0,0]=4 725 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,1,1,0,0|2,0,0]=4 726 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,1,1,0,0|2,0,0]=4 727 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,1,1,0,0|2,0,0]=4 728 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,1,1,0,0|2,0,0]=4 729 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,1,1,0,0|2,0,0]=4 730 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,1,1,0,0|2,0,0]=4 731 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,1,1,0,0|2,0,0]=4 732 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,0,1,1,0,0|2,0,0]=4 733 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,0,1,1,0,0|2,0,0]=4 734 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,0,1,1,0,0|2,0,0]=4 735 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,1,1,0|2,0,0]=4 736 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,1,1,0|2,0,0]=4 737 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,0,1,0|1,0,0]=3 738 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,0,1,0|1,0,0]=3 739 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,0,1,0|2,0,0]=4 740 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,0,1,0|2,0,0]=4 741 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,0,1,0|2,0,0]=4 742 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,0,1,0|2,0,0]=4 743 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,0,1,0|2,0,0]=4 744 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,0,1,0|2,0,0]=4 745 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,0,1,0|1,0,0]=3 746 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,0,1,0|2,0,0]=4 747 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,0,1,0|2,0,0]=4 748 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,0,2,0|2,0,0]=4 749 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,0,2,0|2,0,0]=4 750 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,0,2,0|2,0,0]=4 751 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,0,2,0|2,0,0]=4 752 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,0,2,0|2,0,0]=4 753 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,0,2,0|2,0,0]=4 754 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 755 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 756 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,1,0,0,1|2,0,0]=4 757 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,1,0,0,1|2,0,0]=4 758 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,1,0,0,1|2,0,0]=4 759 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,0,1,0,0,1|2,0,0]=4 760 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,0,1,0,0,1|2,0,0]=4 761 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,0,1,0,0,1|2,0,0]=4 762 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,0,1,0,0,1|2,0,0]=4 763 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [1,0,0,0,0,1|1,0,1]=4 764 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,0,0,1|1,0,0]=3 765 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,0,0,1|1,0,0]=3 766 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,0,0,1|2,0,0]=4 767 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,0,0,1|2,0,0]=4 768 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,0,0,1|2,0,0]=4 769 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,0,0,1|2,0,0]=4 770 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,0,0,1|1,0,0]=3 771 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,0,0,1|1,0,0]=3 772 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,0,0,1|1,0,0]=3 773 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,0,0,1|1,0,0]=3 774 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [1,0,0,0,0,1|2,0,0]=4 775 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [1,0,0,0,0,1|2,0,0]=4 776 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [1,0,0,0,0,1|2,0,0]=4 777 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [1,0,0,0,0,1|2,0,0]=4 778 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [1,0,0,0,0,1|2,0,0]=4 779 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [1,0,0,0,0,1|2,0,0]=4 780 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [1,0,0,0,0,1|2,0,0]=4 781 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [1,0,0,0,0,1|2,0,0]=4 782 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [1,0,0,0,0,1|1,0,1]=4 783 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [1,0,0,0,0,1|1,0,1]=4 784 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,0,0,1|1,0,0]=3 785 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,0,0,1|2,0,0]=4 786 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,0,0,1|2,0,0]=4 787 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,0,0,1,1|2,0,0]=4 788 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,0,0,0,1,1|2,0,0]=4 789 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,0,0,0,1,1|2,0,0]=4 790 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,0,0,0,1,1|2,0,0]=4 791 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,0,0,0,1,1|2,0,0]=4 792 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,0,0,0,0,2|2,0,0]=4 793 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,0,0,0,0,2|2,0,0]=4 794 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,0,0,0,0,2|2,0,0]=4 795 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,0,0,0,0,2|2,0,0]=4 796 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,0,0,0,0,2|2,0,0]=4 797 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [0,0,0,0,0,2|2,0,0]=4 798 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [0,0,0,0,0,2|2,0,0]=4 799 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [0,0,0,0,0,2|2,0,0]=4 800 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [0,0,0,0,0,2|2,0,0]=4 801 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,0,0,0,0,2|2,0,0]=4 802 B11R1.713 CC(=O)NCC1(CCCC1)O 11a_100000737848_100015343762 [0,0,0,0,0,2|2,0,0]=4 803 B11R1.713 CC(=O)NCC1(CCCC1)O 1626a_100000737848_100015343762 [0,0,0,0,0,2|2,0,0]=4 804 B11R1.713 CC(=O)NCC1(CCCC1)O 240690a_100000737848_100015343762 [0,0,0,0,0,2|2,0,0]=4 805 B11R1.713 CC(=O)NCC1(CCCC1)O 527a_100000737848_100103153847 [0,0,0,0,0,2|2,0,0]=4 806 B11R1.713 CC1(CCCC1)OCC(=O)N 34a_100000751722_100000187820 [0,0,0,0,0,2|2,0,0]=4 807 B11R1.713 CC1(CCCC1)OCC(=O)N 7a_100000751722_100000187820 [0,0,0,0,0,2|2,0,0]=4 808 B11R1.713 CC1(CCCC1)OCC(=O)[O-] 34a_100000751722_100020667443 [0,0,0,0,0,2|1,0,1]=4