0 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.47 C#CCOCC(C)C(=O)C 34a_100000032740_100000184674 [0,0,0,0,0,0|2,1,1]=4 4 B9R0.47 C#CCOCC(C)C(=O)C 7a_100000032740_100000038162 [0,0,0,0,0,0|2,1,1]=4 5 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,0,0,0,0,0|2,1,1]=4 9 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,0,0,0,0,0|2,1,1]=4 10 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,0,0,0,0,0|2,1,1]=4 11 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.47 CC(=O)C(C)COCC#N 7a_100000032740_100011215382 [0,0,0,0,0,0|1,1,2]=4 16 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,0,0,0,0,0|2,1,1]=4 17 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,0,0,0,0,0|2,1,1]=4 18 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,0,0,0,0,0|2,1,0]=3 19 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,0,0,0,0,0|2,1,0]=3 20 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,0,0,0,0,0|2,1,0]=3 21 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,0,0,0,0,0|2,1,0]=3 22 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,0,0,0,0,0|2,0,1]=3 32 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,0,0,0,0,0|2,0,0]=2 34 B9R0.47 CC(COCCF)[N+](=O)[O-] 34a_100000039676_100011217306 [0,0,0,0,0,0|2,1,1]=4 35 B9R0.47 CC(COCCF)[N+](=O)[O-] 7a_100000039676_100011217306 [0,0,0,0,0,0|2,1,1]=4 36 B9R0.47 CC(COCCO)[N+](=O)[O-] 34a_100000039676_100000211926 [0,0,0,0,0,0|2,1,1]=4 37 B9R0.47 CC(COCCO)[N+](=O)[O-] 7a_100000039676_100000211926 [0,0,0,0,0,0|2,1,1]=4 38 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.47 CC(OCCON)C(=O)N 34a_100000700252_100000702099 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,0,0,0,0,0|4,0,0]=4 48 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,0,0,0,0,0|4,0,0]=4 58 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,0,0,0,0,0|4,0,0]=4 59 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,0,0,0,0,0|4,0,0]=4 60 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,0,0,0,0,0|3,0,0]=3 61 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,0,0,0,0,0|4,0,0]=4 63 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,0,0,0,0,0|4,0,0]=4 64 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,0,0,0,0,0|4,0,0]=4 65 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,0,0,0,0,0|4,0,0]=4 66 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,0,0,0,0,0|4,0,0]=4 67 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,0,0,0,0,0|2,0,0]=2 77 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,0,0,0,0,0|3,0,0]=3 78 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,0,0,0,0,0|2,1,0]=3 79 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,0,0,0,0,0|2,1,0]=3 80 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [0,0,0,0,0,0|2,1,1]=4 81 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [0,0,0,0,0,0|2,1,1]=4 82 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,0,0,0,0,0|3,1,0]=4 83 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,0,0,0,0,0|4,0,0]=4 87 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,0,0,0,0,0|4,0,0]=4 88 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,0,0,0,0,0|4,0,0]=4 90 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,0,0,0,0,0|4,0,0]=4 93 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,0,0,0,0,0|3,1,0]=4 94 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,0,0,0,0,0|4,0,0]=4 95 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,0,0,0,0,0|4,0,0]=4 96 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,0,0,0,0,0|4,0,0]=4 99 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,0,0,0,0,0|4,0,0]=4 100 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,0,0,0,0,0|4,0,0]=4 101 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,0,0,0,0,0|4,0,0]=4 102 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,0,0,0,0,0|2,0,2]=4 103 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,0,0,0,0,0|3,0,0]=3 104 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,0,0,0,0,0|3,1,0]=4 109 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,0,0,0,0,0|3,1,0]=4 110 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,0,0,0,0,0|4,0,0]=4 111 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,0,0,0,0,0|3,0,0]=3 113 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,0,0,0,0,0|3,0,0]=3 114 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.6 C#CCSC[C@@H](C)CO 62a_100000038162_100000059175 [1,0,0,0,0,0|1,0,2]=4 116 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,0,0,0,0,0|2,1,0]=4 117 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,0,0,0,0,0|2,1,0]=4 118 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [1,0,0,0,0,0|2,1,0]=4 119 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [1,0,0,0,0,0|2,1,0]=4 120 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [1,0,0,0,0,0|2,1,0]=4 121 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [1,0,0,0,0,0|2,1,0]=4 122 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [1,0,0,0,0,0|2,1,0]=4 123 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,0,0,0,0,0|3,0,0]=4 124 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [1,0,0,0,0,0|1,0,2]=4 130 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [1,0,0,0,0,0|1,0,2]=4 131 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [1,0,0,0,0,0|1,1,1]=4 135 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,0,0,0,0,0|1,1,1]=4 141 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,0,0,0,0,0|2,0,1]=4 142 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,0,0,0,0,0|2,0,1]=4 143 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,0,0,0,0,0|2,0,1]=4 145 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,0,0,0,0,0|2,0,1]=4 146 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,0,0,0,0,0|2,0,1]=4 147 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,0,0,0,0,0|1,0,1]=3 149 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,0,0,0,0,0|1,0,1]=3 150 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,0,0,0,0,0|2,0,1]=4 152 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [1,0,0,0,0,0|1,1,1]=4 153 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [1,0,0,0,0,0|2,0,1]=4 154 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [1,0,0,0,0,0|2,0,1]=4 155 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,0,0,0,0,0|2,0,1]=4 156 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [1,0,0,0,0,0|2,0,1]=4 158 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [1,0,0,0,0,0|2,0,1]=4 159 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [1,0,0,0,0,0|2,0,1]=4 161 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [1,0,0,0,0,0|2,0,1]=4 162 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,0,0,0,0,0|2,0,1]=4 163 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,0,0,0,0,0|1,1,1]=4 165 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,0,0,0,0,0|0,1,1]=3 166 B8R0.6 C[C@@H](CO)CSCC#N 62a_100000059175_100011215382 [1,0,0,0,0,0|0,0,3]=4 167 B8R0.6 C[C@@H](CO)CSCC#N 62a_100011215382_100000059175 [1,0,0,0,0,0|0,0,3]=4 168 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,0,0,0,0,0|1,0,2]=4 169 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,0,0,0,0,0|1,0,2]=4 170 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [1,0,0,0,0,0|1,0,1]=3 171 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [1,0,0,0,0,0|1,0,1]=3 172 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,0,0,0,0,0|1,0,1]=3 173 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,0,0,0,0,0|1,0,1]=3 174 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [1,0,0,0,0,0|1,1,1]=4 175 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [1,0,0,0,0,0|1,1,1]=4 176 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [1,0,0,0,0,0|2,0,1]=4 177 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [1,0,0,0,0,0|2,0,1]=4 183 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [1,0,0,0,0,0|2,1,0]=4 187 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|3,0,0]=4 188 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|3,0,0]=4 189 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [1,0,0,0,0,0|3,0,0]=4 190 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [1,0,0,0,0,0|3,0,0]=4 191 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,0,0,0,0,0|2,0,1]=4 194 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [1,0,0,0,0,0|2,0,1]=4 196 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [1,0,0,0,0,0|2,0,1]=4 197 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|2,1,0]=4 201 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|2,1,0]=4 202 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|2,1,0]=4 203 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|2,1,0]=4 204 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|2,1,0]=4 205 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|2,1,0]=4 206 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [1,0,0,0,0,0|1,0,2]=4 207 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [1,0,0,0,0,0|1,0,2]=4 208 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,0,0,0,0|2,0,1]=4 210 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|2,0,0]=3 211 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|2,0,0]=3 212 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|2,0,0]=3 213 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|2,0,0]=3 214 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,0,0,0,0,0|2,1,0]=4 215 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,0,0,0,0,0|3,0,0]=4 216 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,0,0,0,0,0|3,0,0]=4 217 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,0,0,0,0,0|3,0,0]=4 218 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,0,0,0,0,0|3,0,0]=4 219 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,0,0,0,0,0|1,1,1]=4 220 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [1,0,0,0,0,0|2,0,1]=4 221 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|3,0,0]=4 225 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|3,0,0]=4 226 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|3,0,0]=4 227 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|3,0,0]=4 228 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|2,1,0]=4 230 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|2,1,0]=4 231 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|2,1,0]=4 232 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|2,1,0]=4 233 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|2,1,0]=4 234 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|2,1,0]=4 235 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|2,0,0]=3 236 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|2,0,0]=3 238 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|2,0,0]=3 239 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|2,0,1]=4 240 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|2,0,1]=4 241 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|3,0,0]=4 242 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|3,0,0]=4 245 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,0,0,0,0,0|3,0,0]=4 246 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,0,0,0,0,0|3,0,0]=4 247 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|3,0,0]=4 248 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|3,0,0]=4 249 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,0,0,0,0,0|3,0,0]=4 250 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,0,0,0,0,0|3,0,0]=4 251 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [1,0,0,0,0,0|1,0,2]=4 252 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [1,0,0,0,0,0|1,0,2]=4 253 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,0,0,0,0|3,0,0]=4 255 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,0,0,0,0|3,0,0]=4 256 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,0,0,0,0,0|2,1,0]=4 257 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,0,0,0,0,0|2,1,0]=4 258 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,0,0,0,0,0|2,1,0]=4 259 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,0,0,0,0|2,1,0]=4 260 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,0,0,0,0|2,1,0]=4 261 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [1,0,0,0,0,0|2,0,1]=4 262 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [1,0,0,0,0,0|2,0,1]=4 263 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,0,0,0,0,0|2,0,0]=3 264 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,0,0,0,0,0|2,0,0]=3 265 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|2,0,0]=3 266 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|2,0,0]=3 267 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,0,0,0,0,0|3,0,0]=4 268 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,0,0,0,0,0|2,0,1]=4 269 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,0,0,0,0,0|1,1,0]=3 270 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|3,0,0]=4 271 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|3,0,0]=4 272 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,0,0,0,0,0|3,0,0]=4 273 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,0,0,0,0,0|3,0,0]=4 274 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|3,0,0]=4 275 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|2,1,0]=4 276 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [1,0,0,0,0,0|2,0,1]=4 277 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [1,0,0,0,0,0|2,0,1]=4 278 B8R0.8 C#CCSC(C)C(=O)N 62a_100000038162_100000702099 [1,0,0,0,0,0|2,0,1]=4 279 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,0,0,0,0,0|2,0,1]=4 280 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [1,0,0,0,0,0|2,0,1]=4 281 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [1,0,0,0,0,0|2,0,1]=4 282 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [1,0,0,0,0,0|2,0,1]=4 283 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [1,0,0,0,0,0|2,0,1]=4 285 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [1,0,0,0,0,0|2,1,0]=4 287 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [1,0,0,0,0,0|2,1,0]=4 288 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [1,0,0,0,0,0|3,0,0]=4 289 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [1,0,0,0,0,0|2,1,0]=4 290 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [1,0,0,0,0,0|2,1,0]=4 291 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [1,0,0,0,0,0|1,0,2]=4 292 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [1,0,0,0,0,0|1,0,2]=4 293 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,0,0,0,0,0|2,0,1]=4 294 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [1,0,0,0,0,0|2,0,0]=3 296 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [1,0,0,0,0,0|2,0,0]=3 297 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [1,0,0,0,0,0|2,0,0]=3 298 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [1,0,0,0,0,0|2,0,0]=3 299 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,0,0,0,0,0|3,0,0]=4 300 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,0,0,0,0,0|3,0,0]=4 301 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,0,0,0,0,0|2,0,0]=3 302 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [1,0,0,0,0,0|3,0,0]=4 303 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [1,0,0,0,0,0|3,0,0]=4 304 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [1,0,0,0,0,0|3,0,0]=4 305 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [1,0,0,0,0,0|2,1,0]=4 306 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [1,0,0,0,0,0|1,1,0]=3 307 B8R0.8 CC(SCC#N)C(=O)N 62a_100000702099_100011215382 [1,0,0,0,0,0|1,0,2]=4 308 B8R0.8 CC(SCC#N)C(=O)N 62a_100011215382_100000702099 [1,0,0,0,0,0|1,0,2]=4 309 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [1,0,0,0,0,0|2,0,0]=3 312 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [1,0,0,0,0,0|2,0,0]=3 313 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [1,0,0,0,0,0|2,0,0]=3 314 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [1,0,0,0,0,0|2,0,0]=3 315 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,0,0,0,0,0|2,0,0]=3 316 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,0,0,0,0,0|2,0,0]=3 317 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,0,0,0,0,0|2,0,0]=3 318 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,0,0,0,0,0|3,0,0]=4 319 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,0,0,0,0,0|3,0,0]=4 320 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 321 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 322 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,0,0,0,0,0|3,0,0]=4 323 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,0,0,0,0,0|3,0,0]=4 324 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,0,0,0,0,0|2,0,0]=3 325 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,0,0,0,0,0|3,0,0]=4 326 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,0,0,0,0,0|3,0,0]=4 327 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,0,0,0,0,0|2,1,0]=4 328 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,0,0,0,0,0|2,1,0]=4 329 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,0,0,0,0,0|1,1,1]=4 330 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,0,0,0,0,0|2,1,0]=4 331 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,0,0,0,0,0|2,1,0]=4 332 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,0,0,0,0,0|2,0,0]=3 333 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,0,0,0,0,0|2,0,0]=3 334 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,0,0,0,0,0|2,0,0]=3 335 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,0,0,0,0,0|2,0,0]=3 336 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,0,0,0,0,0|2,0,1]=4 339 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,0,0,0,0,0|2,0,1]=4 340 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,0,0,0,0,0|1,0,0]=2 341 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,0,0,0,0,0|2,0,0]=3 342 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,0,0,0,0,0|1,1,0]=3 343 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,0,0,0,0,0|1,1,0]=3 344 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [1,0,0,0,0,0|1,1,1]=4 345 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [1,0,0,0,0,0|1,1,1]=4 346 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|2,1,0]=4 347 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,0,0,0,0,0|3,0,0]=4 351 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [1,0,0,0,0,0|3,0,0]=4 352 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [1,0,0,0,0,0|3,0,0]=4 355 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,0,0,0,0,0|3,0,0]=4 356 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [1,0,0,0,0,0|3,0,0]=4 357 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [1,0,0,0,0,0|3,0,0]=4 358 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [1,0,0,0,0,0|3,0,0]=4 360 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [1,0,0,0,0,0|3,0,0]=4 361 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [1,0,0,0,0,0|3,0,0]=4 362 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [1,0,0,0,0,0|3,0,0]=4 363 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [1,0,0,0,0,0|3,0,0]=4 364 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [1,0,0,0,0,0|2,1,0]=4 365 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [1,0,0,0,0,0|2,1,0]=4 366 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [1,0,0,0,0,0|2,1,0]=4 367 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [1,0,0,0,0,0|2,1,0]=4 368 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [1,0,0,0,0,0|1,0,2]=4 369 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,0,0,0,0,0|2,0,0]=3 371 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,0,0,0,0,0|2,0,0]=3 372 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [1,0,0,0,0,0|1,1,1]=4 373 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [1,0,0,0,0,0|1,1,1]=4 374 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [1,0,0,0,0,0|3,0,0]=4 375 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [1,0,0,0,0,0|3,0,0]=4 376 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [1,0,0,0,0,0|3,0,0]=4 377 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [1,0,0,0,0,0|3,0,0]=4 378 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [1,0,0,0,0,0|2,1,0]=4 379 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [1,0,0,0,0,0|1,1,1]=4 380 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,0,0,0,0,0|3,0,0]=4 381 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [1,0,0,0,0,0|2,0,1]=4 385 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,1,0,0,0,0|3,0,0]=4 386 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,1,0,0,0,0|3,0,0]=4 387 B10R0.42 C#CCNCC(C)(C)C(=O)O 269956a_100000693527_100000184674 [0,1,0,0,0,0|2,0,1]=4 388 B10R0.42 C#CCSCC(C)(C)C(=O)N 62a_100000038162_200009895572 [0,1,0,0,0,0|2,0,1]=4 389 B10R0.42 C=CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210623 [0,1,0,0,0,0|2,0,1]=4 390 B10R0.42 C=CCSCC(C)(C)C(=O)N 62a_100000210623_200009895572 [0,1,0,0,0,0|2,0,1]=4 391 B10R0.42 C=CCSCC(C)(C)C(=O)N 62a_200009895572_100000210623 [0,1,0,0,0,0|2,0,1]=4 392 B10R0.42 CC(C)(CNCC#N)C(=O)O 269956a_100000693527_100011215382 [0,1,0,0,0,0|1,0,2]=4 393 B10R0.42 CC(C)(CNCC=O)C(=O)O 269956a_100000693527_200015260668 [0,1,0,0,0,0|2,0,1]=4 394 B10R0.42 CC(C)(CNCCF)C(=O)N 2230a_100000740840_100011217306 [0,1,0,0,0,0|3,0,0]=4 395 B10R0.42 CC(C)(CNCCF)C(=O)N 34a_100000724931_200009895572 [0,1,0,0,0,0|3,0,0]=4 396 B10R0.42 CC(C)(CNCCF)C(=O)N 34a_100000740840_100011217306 [0,1,0,0,0,0|3,0,0]=4 397 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,1,0,0,0,0|2,0,0]=3 398 B10R0.42 CC(C)(CNCCO)C(=O)N 2230a_100000740840_100000211926 [0,1,0,0,0,0|3,0,0]=4 399 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100000740840_100000211926 [0,1,0,0,0,0|3,0,0]=4 400 B10R0.42 CC(C)(CNCCO)C(=O)N 34a_100016990907_200009895572 [0,1,0,0,0,0|3,0,0]=4 401 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,1,0,0,0,0|2,0,0]=3 402 B10R0.42 CC(C)(COCCBr)C(=O)N 34a_100000211926_200009895572 [0,1,0,0,0,0|2,1,0]=4 403 B10R0.42 CC(C)(COCCN)C(=O)N 34a_100000210304_200009895572 [0,1,0,0,0,0|1,1,0]=3 404 B10R0.42 CC(C)(CSCC#N)C(=O)N 62a_100011215382_200009895572 [0,1,0,0,0,0|1,0,2]=4 405 B10R0.42 CC(C)(CSCC#N)C(=O)N 62a_200009895572_100011215382 [0,1,0,0,0,0|1,0,2]=4 406 B10R0.42 CC(C)(CSCC=O)C(=O)N 62a_200009895572_200015260668 [0,1,0,0,0,0|2,0,1]=4 407 B10R0.42 CC(C)(CSCC=O)C(=O)N 62a_200015260668_200009895572 [0,1,0,0,0,0|2,0,1]=4 408 B10R0.42 CC(C)(CSCCF)C(=O)N 62a_100011217306_200009895572 [0,1,0,0,0,0|2,0,0]=3 409 B10R0.42 CC(C)(CSCCF)C(=O)N 62a_200009895572_100011217306 [0,1,0,0,0,0|2,0,0]=3 410 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_100000211926_200009895572 [0,1,0,0,0,0|2,0,0]=3 411 B10R0.42 CC(C)(CSCCO)C(=O)N 62a_200009895572_100000211926 [0,1,0,0,0,0|2,0,0]=3 412 B10R0.42 CC(C)(OCCCN)C(=O)N 34a_100000182051_100000702505 [0,1,0,0,0,0|3,0,0]=4 413 B10R0.42 CC(C)(ONCCF)C(=O)O 269956a_100016989451_100011217306 [0,1,0,0,0,0|3,0,0]=4 414 B10R0.42 CC(C)(ONCCO)C(=O)O 269956a_100016989451_100000211926 [0,1,0,0,0,0|3,0,0]=4 415 B10R0.42 CCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210303 [0,1,0,0,0,0|3,0,0]=4 416 B10R0.42 CCCNCC(C)(C)C(=O)N 34a_100000740840_100000210303 [0,1,0,0,0,0|3,0,0]=4 417 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,1,0,0,0,0|2,0,0]=3 418 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,1,0,0,0,0|3,0,0]=4 419 B10R0.42 CCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210207 [0,1,0,0,0,0|3,0,0]=4 420 B10R0.42 CCCOCC(C)(C)C(=O)N 34a_100000210258_200009895572 [0,1,0,0,0,0|2,1,0]=4 421 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_100000210303_200009895572 [0,1,0,0,0,0|2,0,0]=3 422 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_200009895572_100000210303 [0,1,0,0,0,0|2,0,0]=3 423 B10R0.42 COCNCC(C)(C)C(=O)O 269956a_100000693527_100000766300 [0,1,0,0,0,0|3,0,0]=4 424 B10R0.42 COCSCC(C)(C)C(=O)N 62a_100000766300_200009895572 [0,1,0,0,0,0|3,0,0]=4 425 B10R0.42 COCSCC(C)(C)C(=O)N 62a_200009895572_100000766300 [0,1,0,0,0,0|3,0,0]=4 426 B10R0.42 CSCNCC(C)(C)C(=O)O 269956a_100000693527_100011218213 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.42 CSCSCC(C)(C)C(=O)N 62a_100011218213_200009895572 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.42 CSCSCC(C)(C)C(=O)N 62a_200009895572_100011218213 [0,1,0,0,0,0|3,0,0]=4 429 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,1,0,0,0,0|3,0,0]=4 430 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,1,0,0,0,0|3,0,0]=4 431 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,1,0,0,0,0|2,0,1]=4 432 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,1,0,0,0,0|2,0,0]=3 433 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,1,0,0,0,0|3,0,0]=4 434 B10R0.75 C#CCCOCC(C)C(=O)C 34a_100000032740_100000688953 [0,1,0,0,0,0|2,1,0]=4 435 B10R0.75 C#CCCOCC(C)C(=O)C 7a_100000032740_100000688953 [0,1,0,0,0,0|2,1,0]=4 436 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,1,0,0,0,0|2,0,1]=4 437 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,1,0,0,0,0|2,0,1]=4 438 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,1,0,0,0,0|2,0,0]=3 439 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,1,0,0,0,0|3,0,0]=4 440 B10R0.75 C=CCCOCC(C)C(=O)C 34a_100000032740_100000754431 [0,1,0,0,0,0|2,1,0]=4 441 B10R0.75 C=CCCOCC(C)C(=O)C 7a_100000032740_100000754431 [0,1,0,0,0,0|2,1,0]=4 442 B10R0.75 CC#CCNCC(C)C(=O)O 269956a_100000749485_100000748600 [0,1,0,0,0,0|2,0,1]=4 443 B10R0.75 CC(=O)C(C)COCCC#N 7a_100000032740_100000184422 [0,1,0,0,0,0|1,1,1]=4 444 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,1,0,0,0,0|2,1,0]=4 445 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,1,0,0,0,0|2,1,0]=4 446 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,1,0,0,0,0|2,1,0]=4 447 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,1,0,0,0,0|2,1,0]=4 448 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,1,0,0,0,0|3,0,0]=4 449 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,1,0,0,0,0|3,0,0]=4 450 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,1,0,0,0,0|3,0,0]=4 451 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,1,0,0,0,0|3,0,0]=4 452 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,1,0,0,0,0|3,0,0]=4 453 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,1,0,0,0,0|3,0,0]=4 454 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,1,0,0,0,0|3,0,0]=4 455 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,1,0,0,0,0|3,0,0]=4 456 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,1,0,0,0,0|3,0,0]=4 457 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,1,0,0,0,0|1,0,1]=3 458 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,1,0,0,0,0|2,0,0]=3 459 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,0,0,0,0|2,0,0]=3 460 B10R0.75 CC(CNCSC#N)C(=O)O 269956a_100000749485_100000211825 [0,1,0,0,0,0|1,0,2]=4 461 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,1,0,0,0,0|3,0,0]=4 462 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|3,0,0]=4 463 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,1,0,0,0,0|3,0,0]=4 464 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 465 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 466 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,1,0,0,0,0|3,0,0]=4 467 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,1,0,0,0,0|3,0,0]=4 468 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,1,0,0,0,0|3,0,0]=4 469 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|2,0,0]=3 470 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,1,0,0,0,0|3,0,0]=4 471 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,1,0,0,0,0|3,0,0]=4 472 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 473 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,1,0,0,0,0|3,0,0]=4 474 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [0,1,0,0,0,0|2,0,1]=4 475 B10R0.75 CCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009813939 [0,1,0,0,0,0|2,0,1]=4 476 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|3,0,0]=4 477 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,0,0,0,0|3,0,0]=4 478 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,1,0,0,0,0|3,0,0]=4 479 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|2,0,0]=3 480 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,1,0,0,0,0|3,0,0]=4 481 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,1,0,0,0,0|3,0,0]=4 482 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,0,0,0,0|3,0,0]=4 483 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,0,0,0,0|3,0,0]=4 484 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,1,0,0,0,0|3,0,0]=4 485 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,1,0,0,0,0|3,0,0]=4 486 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,1,0,0,0,0|2,0,1]=4 487 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,1,0,0,0,0|3,0,0]=4 488 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,1,0,0,0,0|3,0,0]=4 489 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,0,0,0,0|3,0,0]=4 490 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,0,0,0,0|3,0,0]=4 491 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,1,0,0,0,0|3,0,0]=4 492 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,1,0,0,0,0|3,0,0]=4 493 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|2,0,0]=3 494 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|3,0,0]=4 495 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,0,0,0,0|2,1,0]=4 496 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,0,0,0,0|2,1,0]=4 497 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,1,0,0,0,0|3,0,0]=4 498 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,1,0,0,0,0|2,0,0]=3 499 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,1,0,0,0,0|3,0,0]=4 500 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,1,0,0,0,0|3,0,0]=4 501 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,1,0,0,0,0|3,0,0]=4 502 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,0,0,0,0|3,0,0]=4 503 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,1,0,0,0,0|2,0,0]=3 504 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,1,0,0,0,0|3,0,0]=4 505 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,1,0,0,0,0|2,1,0]=4 506 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,1,0,0,0,0|2,1,0]=4 507 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,1,0,0,0,0|2,0,0]=3 508 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,1,0,0,0,0|3,0,0]=4 509 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,1,0,0,0,0|2,1,0]=4 510 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,1,0,0,0,0|2,1,0]=4 511 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,1,0,0,0,0|3,0,0]=4 512 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,1,0,0,0,0|3,0,0]=4 513 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,1,0,0,0,0|3,0,0]=4 514 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,1,0,0,0,0|3,0,0]=4 515 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,1,0,0,0,0|3,0,0]=4 516 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,1,0,0,0,0|3,0,0]=4 517 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,1,0,0,0,0|3,0,0]=4 518 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,1,0,0,0,0|3,0,0]=4 519 B10R0.75 C[C@H](NCC#CCO)C(=O)O 269956a_100000743915_200000047223 [0,1,0,0,0,0|2,0,1]=4 520 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,1,0,0,0,0|1,0,2]=4 521 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,1,0,0,0,0|2,0,1]=4 522 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,0,0,0,0|2,0,0]=3 523 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,0,0,0,0|2,0,0]=3 524 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,1,0,0,0,0|2,0,1]=4 525 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,1,0,0,0,0|2,0,1]=4 526 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,1,0,0,0,0|2,0,1]=4 527 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 528 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,1,0,0,0,0|2,0,1]=4 529 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,1,0,0,0,0|3,0,0]=4 530 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,0,0,0,0|3,0,0]=4 531 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,1,0,0,0,0|3,0,0]=4 532 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,1,0,0,0,0|3,0,0]=4 533 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,1,0,0,0,0|3,0,0]=4 534 B10R0.82 C#CC(C)NCC(C)C(=O)O 269956a_100000749485_200000035995 [0,1,0,0,0,0|2,0,1]=4 535 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,1,0,0,0,0|2,0,1]=4 536 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,1,0,0,0,0|2,1,0]=4 537 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,1,0,0,0,0|2,1,0]=4 538 B10R0.82 CC(C#N)NCC(C)C(=O)O 269956a_100000749485_100000184139 [0,1,0,0,0,0|1,0,2]=4 539 B10R0.82 CC(CN)COC(C)C(=O)N 34a_100000744482_100000702099 [0,1,0,0,0,0|3,0,0]=4 540 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,0|2,0,0]=3 541 B10R0.82 CC(OC[C@H](F)CN)C(=O)N 34a_100015665980_100000702099 [0,1,0,0,0,0|3,0,0]=4 542 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,0|3,0,0]=4 543 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,0|2,0,0]=3 544 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,1,0,0,0,0|3,0,0]=4 545 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,1,0,0,0,0|2,1,0]=4 546 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,1,0,0,0,0|2,1,0]=4 547 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,1,0,0,0,0|3,0,0]=4 548 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,0|3,0,0]=4 549 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,0|3,0,0]=4 550 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,0|3,0,0]=4 551 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,1,0,0,0,0|3,0,0]=4 552 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,1,0,0,0,0|3,0,0]=4 553 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,1,0,0,0,0|3,0,0]=4 554 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,1,0,0,0,0|3,0,0]=4 555 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,1,0,0,0,0|3,0,0]=4 556 B10R0.83 C#CCNCC(C)C(=O)OC 34a_100000212058_100000698445 [0,1,0,0,0,0|2,0,1]=4 557 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000210247_100000698445 [0,1,0,0,0,0|1,1,1]=4 558 B10R0.83 C#CCOCC(C)C(=O)OC 34a_100000749362_100000184674 [0,1,0,0,0,0|1,1,1]=4 559 B10R0.83 C#CCOCC(C)C(=O)OC 7a_100000749362_100000038162 [0,1,0,0,0,0|1,1,1]=4 560 B10R0.83 C#CCSCC(C)C(=O)OC 62a_100000038162_100000698445 [0,1,0,0,0,0|1,0,1]=3 561 B10R0.83 C=C(COCCN)C(=O)OC 34a_100000210304_100009813391 [0,1,0,0,0,0|0,1,2]=4 562 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,1,0,0,0,0|1,0,2]=4 563 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,1,0,0,0,0|1,0,2]=4 564 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100009813391_100011217306 [0,1,0,0,0,0|1,0,2]=4 565 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100011217306_100009813391 [0,1,0,0,0,0|1,0,2]=4 566 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100000211926_100009813391 [0,1,0,0,0,0|1,0,2]=4 567 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100009813391_100000211926 [0,1,0,0,0,0|1,0,2]=4 568 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,1,0,0,0,0|3,0,0]=4 569 B10R0.83 C=CCOCC(C)C(=O)OC 34a_100000749362_100015514636 [0,1,0,0,0,0|1,1,1]=4 570 B10R0.83 C=CCOCC(C)C(=O)OC 34a_200000210373_100000698445 [0,1,0,0,0,0|1,1,1]=4 571 B10R0.83 C=CCOCC(C)C(=O)OC 7a_100000749362_100015514636 [0,1,0,0,0,0|1,1,1]=4 572 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [0,1,0,0,0,0|1,0,1]=3 573 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [0,1,0,0,0,0|1,0,1]=3 574 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,1,0,0,0,0|3,0,0]=4 575 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,1,0,0,0,0|3,0,0]=4 576 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,1,0,0,0,0|3,0,0]=4 577 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,1,0,0,0,0|2,0,0]=3 578 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,1,0,0,0,0|3,0,0]=4 579 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 580 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,1,0,0,0,0|3,0,0]=4 582 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,1,0,0,0,0|3,0,0]=4 586 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,1,0,0,0,0|3,0,0]=4 587 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,1,0,0,0,0|3,0,0]=4 588 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,1,0,0,0,0|3,0,0]=4 589 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,1,0,0,0,0|3,0,0]=4 590 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,1,0,0,0,0|3,0,0]=4 591 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,1,0,0,0,0|3,0,0]=4 592 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,1,0,0,0,0|3,0,0]=4 593 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,1,0,0,0,0|1,1,0]=3 594 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,1,0,0,0,0|1,1,0]=3 595 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,1,0,0,0,0|1,1,0]=3 596 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,1,0,0,0,0|2,1,0]=4 597 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,1,0,0,0,0|2,1,0]=4 598 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,1,0,0,0,0|2,0,1]=4 599 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,1,0,0,0,0|2,0,1]=4 600 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,1,0,0,0,0|1,0,0]=2 601 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,1,0,0,0,0|1,0,0]=2 602 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,1,0,0,0,0|3,0,0]=4 603 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,1,0,0,0,0|3,0,0]=4 604 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,1,0,0,0,0|3,0,0]=4 605 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,1,0,0,0,0|3,0,0]=4 606 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,1,0,0,0,0|3,0,0]=4 607 B10R0.83 CNC(=O)C(C)CNCCF 2230a_100015187722_100011217306 [0,1,0,0,0,0|3,0,0]=4 608 B10R0.83 CNC(=O)C(C)CNCCF 34a_100015187722_100011217306 [0,1,0,0,0,0|3,0,0]=4 609 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,1,0,0,0,0|3,0,0]=4 610 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,1,0,0,0,0|3,0,0]=4 611 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,1,0,0,0,0|3,0,0]=4 612 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,1,0,0,0,0|1,1,1]=4 613 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011217306_100011610305 [0,1,0,0,0,0|2,0,1]=4 614 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011610305_100011217306 [0,1,0,0,0,0|2,0,1]=4 615 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,1,0,0,0,0|2,0,1]=4 616 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,1,0,0,0,0|2,0,1]=4 617 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,1,0,0,0,0|3,0,0]=4 618 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,1,0,0,0,0|3,0,0]=4 619 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,1,0,0,0,0|2,0,0]=3 620 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,1,0,0,0,0|2,0,0]=3 621 B10R0.83 COC(=O)C(C)COCC#N 7a_100000749362_100011215382 [0,1,0,0,0,0|0,1,2]=4 622 B10R0.83 COC(=O)C(C)COCC=O 34a_100000749362_200009817547 [0,1,0,0,0,0|1,1,1]=4 623 B10R0.83 COC(=O)C(C)COCC=O 7a_100000749362_200015260668 [0,1,0,0,0,0|1,1,1]=4 624 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,1,0,0,0,0|1,1,0]=3 625 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,1,0,0,0,0|1,1,0]=3 626 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,1,0,0,0,0|1,1,0]=3 627 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,1,0,0,0,0|0,1,0]=2 628 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,1,0,0,0,0|1,1,0]=3 629 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,1,0,0,0,0|1,1,0]=3 630 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,1,0,0,0,0|2,1,0]=4 631 B10R0.83 COC(=O)C(C)CSCC#N 62a_100000698445_100011215382 [0,1,0,0,0,0|0,0,2]=3 632 B10R0.83 COC(=O)C(C)CSCC#N 62a_100011215382_100000698445 [0,1,0,0,0,0|0,0,2]=3 633 B10R0.83 COC(=O)C(C)CSCC=O 62a_100000698445_200015260668 [0,1,0,0,0,0|1,0,1]=3 634 B10R0.83 COC(=O)C(C)CSCC=O 62a_200015260668_100000698445 [0,1,0,0,0,0|1,0,1]=3 635 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,1,0,0,0,0|1,0,0]=2 636 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,1,0,0,0,0|1,0,0]=2 637 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,1,0,0,0,0|1,0,0]=2 638 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,1,0,0,0,0|1,0,0]=2 639 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,1,0,0,0,0|2,0,0]=3 640 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,1,0,0,0,0|2,0,0]=3 641 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,1,0,0,0,0|3,0,0]=4 642 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,1,0,0,0,0|3,0,0]=4 643 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,1,0,0,0,0|3,0,0]=4 644 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,1,0,0,0,0|3,0,0]=4 645 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,1,0,0,0,0|3,0,0]=4 646 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,1,0,0,0,0|3,0,0]=4 647 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,1,0,0,0,0|2,0,0]=3 648 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,1,0,0,0,0|3,0,0]=4 649 B10R0.83 COC(=O)C(C)OCCON 34a_100000700252_100000211248 [0,1,0,0,0,0|3,0,0]=4 650 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,1,0,0,0,0|3,0,0]=4 651 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,1,0,0,0,0|3,0,0]=4 652 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,1,0,0,0,0|3,0,0]=4 653 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,1,0,0,0,0|3,0,0]=4 654 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,1,0,0,0,0|2,1,0]=4 655 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,1,0,0,0,0|2,1,0]=4 656 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,1,0,0,0,0|2,1,0]=4 657 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,1,0,0,0,0|2,1,0]=4 658 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,1,0,0,0,0|2,0,0]=3 659 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,1,0,0,0,0|2,0,0]=3 660 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [0,1,0,0,0,0|3,0,0]=4 661 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,1,0,0,0,0|3,0,0]=4 662 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,1,0,0,0,0|3,0,0]=4 663 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,1,0,0,0,0|3,0,0]=4 664 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,1,0,0,0,0|3,0,0]=4 665 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,1,0,0,0,0|3,0,0]=4 666 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,1,0,0,0,0|3,0,0]=4 667 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,1,0,0,0,0|3,0,0]=4 668 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,1,0,0,0,0|3,0,0]=4 669 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,1,0,0,0,0|2,0,1]=4 670 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,1,0,0,0,0|2,0,1]=4 671 B10R0.98 CC(=O)C(C)COCC(=O)N 34a_100000032740_100000187820 [0,1,0,0,0,0|1,1,1]=4 672 B10R0.98 CC(=O)C(C)COCC(=O)N 7a_100000032740_100000187820 [0,1,0,0,0,0|1,1,1]=4 673 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,1,0,0,0,0|2,1,0]=4 674 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,1,0,0,0,0|2,1,0]=4 675 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,1,0,0,0,0|2,1,0]=4 676 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,1,0,0,0,0|2,1,0]=4 677 B10R0.98 CC(=O)C(C)COCC(F)F 34a_100000032740_100011934356 [0,1,0,0,0,0|2,1,0]=4 678 B10R0.98 CC(=O)C(C)COCC(F)F 7a_100000032740_100011934356 [0,1,0,0,0,0|2,1,0]=4 679 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,1,0,0,0,0|2,1,0]=4 680 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,1,0,0,0,0|2,1,0]=4 681 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,1,0,0,0,0|3,0,0]=4 682 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,1,0,0,0,0|2,0,0]=3 683 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,1,0,0,0,0|3,0,0]=4 684 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,0,0|1,0,1]=3 685 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,0,0|2,0,1]=4 686 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,1,0,0,0,0|2,0,0]=3 687 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,1,0,0,0,0|2,0,0]=3 688 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,1,0,0,0,0|3,0,0]=4 689 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,1,0,0,0,0|3,0,0]=4 690 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,1,0,0,0,0|2,0,0]=3 691 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,1,0,0,0,0|3,0,0]=4 692 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,1,0,0,0,0|3,0,0]=4 693 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,1,0,0,0,0|3,0,0]=4 694 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,0,0|2,0,1]=4 695 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,0,0|2,0,1]=4 696 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,1,0,0,0,0|3,0,0]=4 697 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,0|3,0,0]=4 698 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,0|3,0,0]=4 699 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,0,0,1,0,0|3,0,0]=4 700 B10R1.93 CCCN1CC(C1)C(=O)N 34a_100025753142_100000210303 [0,0,0,1,0,0|3,0,0]=4 701 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,0,0,1,0,0|3,0,0]=4 702 B10R1.93 NC(=O)C1CN(C1)CCF 34a_100025753142_100011217306 [0,0,0,1,0,0|3,0,0]=4 703 B10R1.93 NC(=O)C1CN(C1)CCO 34a_100025753142_100000211926 [0,0,0,1,0,0|3,0,0]=4 704 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,0,0,1,0,0|3,0,0]=4 705 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|3,0,0]=4 706 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|3,0,0]=4 707 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|3,0,0]=4 708 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|3,0,0]=4 709 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,0,0,1,0,0|3,0,0]=4 710 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,0,0,1,0,0|2,1,0]=4 711 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,0,0,1,0,0|2,0,0]=3 712 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,0,0,1,0,0|3,0,0]=4 713 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,0,0,1,0,0|3,0,0]=4 714 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,0,0,1,0,0|3,0,0]=4 715 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,0,0,1,0,0|3,0,0]=4 716 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,0,0,1,0,0|3,0,0]=4 717 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,0,0,1,0,0|3,0,0]=4 718 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,0,0,1,0,0|3,0,0]=4 719 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|3,0,0]=4 720 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|3,0,0]=4 721 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|3,0,0]=4 722 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,0,0,1,0,0|3,0,0]=4 723 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,0,0,1,0,0|3,0,0]=4 724 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 725 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 726 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,0,0,0,0,1|3,0,0]=4 727 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,0,0,0,0,1|3,0,0]=4 728 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,0,0,0,0,1|3,0,0]=4 729 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,0,0,0,0,1|3,0,0]=4 730 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,0,0,0,0,1|3,0,0]=4 731 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,0,0,0,0,1|3,0,0]=4 732 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,0,0,0,0,1|3,0,0]=4 733 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,0,0,0,0,1|3,0,0]=4 734 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [2,0,0,0,0,0|1,1,0]=4 735 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|2,0,0]=4 736 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|2,0,0]=4 737 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [2,0,0,0,0,0|2,0,0]=4 738 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [2,0,0,0,0,0|2,0,0]=4 739 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [2,0,0,0,0,0|2,0,0]=4 740 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [2,0,0,0,0,0|2,0,0]=4 741 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,1]=4 742 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,1]=4 743 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 744 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|0,1,1]=4 745 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [2,0,0,0,0,0|1,0,1]=4 746 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [2,0,0,0,0,0|1,0,1]=4 747 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|1,0,1]=4 748 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|1,0,1]=4 749 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [2,0,0,0,0,0|1,1,0]=4 750 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [2,0,0,0,0,0|1,1,0]=4 751 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [2,0,0,0,0,0|2,0,0]=4 752 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [2,0,0,0,0,0|2,0,0]=4 753 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [2,0,0,0,0,0|2,0,0]=4 754 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [2,0,0,0,0,0|2,0,0]=4 755 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [2,0,0,0,0,0|2,0,0]=4 756 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [2,0,0,0,0,0|0,1,1]=4 757 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [2,0,0,0,0,0|1,0,1]=4 758 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [2,0,0,0,0,0|1,0,1]=4 759 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [2,0,0,0,0,0|1,0,1]=4 760 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [2,0,0,0,0,0|1,0,1]=4 761 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [2,0,0,0,0,0|1,0,1]=4 762 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [2,0,0,0,0,0|1,0,1]=4 763 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [2,0,0,0,0,0|1,0,1]=4 764 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [2,0,0,0,0,0|0,1,1]=4 765 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [2,0,0,0,0,0|1,0,1]=4 766 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [2,0,0,0,0,0|1,0,1]=4 767 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [2,0,0,0,0,0|2,0,0]=4 768 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [2,0,0,0,0,0|1,0,1]=4 769 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [2,0,0,0,0,0|1,0,1]=4 770 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [2,0,0,0,0,0|1,0,1]=4 771 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [2,0,0,0,0,0|1,0,1]=4 772 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [2,0,0,0,0,0|0,0,1]=3 773 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [2,0,0,0,0,0|0,0,1]=3 774 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [2,0,0,0,0,0|1,0,1]=4 775 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [2,0,0,0,0,0|1,0,1]=4 776 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [2,0,0,0,0,0|1,0,1]=4 777 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [2,0,0,0,0,0|1,0,1]=4 778 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [2,0,0,0,0,0|1,0,1]=4 779 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [2,0,0,0,0,0|1,0,1]=4 780 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [2,0,0,0,0,0|1,0,1]=4 781 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [2,0,0,0,0,0|1,0,1]=4 782 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [2,0,0,0,0,0|1,0,1]=4 783 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [2,0,0,0,0,0|1,0,1]=4 784 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [2,0,0,0,0,0|2,0,0]=4 785 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [2,0,0,0,0,0|2,0,0]=4 786 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [2,0,0,0,0,0|0,1,1]=4 787 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [2,0,0,0,0,0|1,0,1]=4 788 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [2,0,0,0,0,0|1,0,1]=4 789 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [2,0,0,0,0,0|1,0,1]=4 790 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [2,0,0,0,0,0|1,0,1]=4 791 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [2,0,0,0,0,0|1,0,1]=4 792 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [2,0,0,0,0,0|1,0,1]=4 793 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [2,0,0,0,0,0|1,0,1]=4 794 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [2,0,0,0,0,0|1,0,1]=4 795 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [2,0,0,0,0,0|1,0,1]=4 796 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [2,0,0,0,0,0|1,0,1]=4 797 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 798 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|2,0,0]=4 799 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|2,0,0]=4 800 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [2,0,0,0,0,0|2,0,0]=4 801 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [2,0,0,0,0,0|2,0,0]=4 802 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [2,0,0,0,0,0|0,1,1]=4 803 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [2,0,0,0,0,0|1,0,1]=4 804 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [2,0,0,0,0,0|1,0,1]=4 805 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [2,0,0,0,0,0|1,0,1]=4 806 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [2,0,0,0,0,0|1,0,1]=4 807 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [2,0,0,0,0,0|2,0,0]=4 808 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [2,0,0,0,0,0|2,0,0]=4 809 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [2,0,0,0,0,0|2,0,0]=4 810 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 811 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [2,0,0,0,0,0|2,0,0]=4 812 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [2,0,0,0,0,0|2,0,0]=4 813 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [2,0,0,0,0,0|2,0,0]=4 814 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [2,0,0,0,0,0|1,1,0]=4 815 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [2,0,0,0,0,0|0,1,0]=3 816 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [2,0,0,0,0,0|0,0,2]=4 817 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [2,0,0,0,0,0|0,0,2]=4 818 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [2,0,0,0,0,0|1,0,1]=4 819 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [2,0,0,0,0,0|1,0,1]=4 820 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [2,0,0,0,0,0|1,0,0]=3 821 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [2,0,0,0,0,0|1,0,0]=3 822 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [2,0,0,0,0,0|1,0,0]=3 823 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [2,0,0,0,0,0|1,0,0]=3 824 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|2,0,0]=4 825 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|2,0,0]=4 826 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|2,0,0]=4 827 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 828 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 829 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 830 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|1,1,0]=4 831 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|1,1,0]=4 832 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,1]=4 833 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 834 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 835 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,1]=4 836 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|1,0,1]=4 837 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|1,0,1]=4 838 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|1,0,1]=4 839 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|1,0,1]=4 840 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [2,0,0,0,0,0|1,0,0]=3 841 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [2,0,0,0,0,0|1,0,0]=3 842 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [2,0,0,0,0,0|1,0,0]=3 843 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [2,0,0,0,0,0|1,0,0]=3 844 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 845 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 846 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,1,0]=4 847 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,1,0]=4 848 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,1,0]=4 849 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,1,0]=4 850 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|1,1,0]=4 851 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|1,1,0]=4 852 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|1,1,0]=4 853 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,1,0]=4 854 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,0]=3 855 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,0]=3 856 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,0]=3 857 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,0]=3 858 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|1,0,0]=3 859 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|1,0,0]=3 860 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,0]=3 861 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|1,0,1]=4 862 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|1,0,1]=4 863 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|2,0,0]=4 864 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|2,0,0]=4 865 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [2,0,0,0,0,0|2,0,0]=4 866 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [2,0,0,0,0,0|2,0,0]=4 868 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [2,0,0,0,0,0|2,0,0]=4 869 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [2,0,0,0,0,0|2,0,0]=4 870 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [2,0,0,0,0,0|2,0,0]=4 871 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [2,0,0,0,0,0|2,0,0]=4 872 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [2,0,0,0,0,0|2,0,0]=4 873 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [2,0,0,0,0,0|2,0,0]=4 874 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [2,0,0,0,0,0|2,0,0]=4 875 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [2,0,0,0,0,0|2,0,0]=4 876 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [2,0,0,0,0,0|1,1,0]=4 877 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [2,0,0,0,0,0|0,1,0]=3 878 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [2,0,0,0,0,0|0,0,2]=4 879 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [2,0,0,0,0,0|0,0,2]=4 880 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [2,0,0,0,0,0|1,0,1]=4 881 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [2,0,0,0,0,0|1,0,1]=4 882 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [2,0,0,0,0,0|1,0,0]=3 883 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [2,0,0,0,0,0|1,0,0]=3 884 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [2,0,0,0,0,0|1,0,0]=3 885 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [2,0,0,0,0,0|1,0,0]=3 886 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [2,0,0,0,0,0|2,0,0]=4 887 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [2,0,0,0,0,0|2,0,0]=4 888 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [2,0,0,0,0,0|2,0,0]=4 889 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [2,0,0,0,0,0|2,0,0]=4 890 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [2,0,0,0,0,0|2,0,0]=4 891 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [2,0,0,0,0,0|2,0,0]=4 892 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [2,0,0,0,0,0|1,1,0]=4 893 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [2,0,0,0,0,0|0,1,1]=4 894 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 895 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|2,0,0]=4 896 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [2,0,0,0,0,0|1,0,1]=4 897 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [2,0,0,0,0,0|1,0,1]=4 898 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [2,0,0,0,0,0|1,0,1]=4 899 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [2,0,0,0,0,0|1,0,1]=4 900 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|2,0,0]=4 901 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|2,0,0]=4 902 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [2,0,0,0,0,0|1,1,0]=4 903 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [2,0,0,0,0,0|1,1,0]=4 904 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [2,0,0,0,0,0|2,0,0]=4 905 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [2,0,0,0,0,0|2,0,0]=4 906 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|1,0,0]=3 907 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [2,0,0,0,0,0|2,0,0]=4 908 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [2,0,0,0,0,0|2,0,0]=4 909 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,0]=3 910 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,0]=3 911 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,0]=3 912 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 913 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 914 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 915 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|2,0,0]=4 916 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 917 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 918 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,0,0,0,0|2,0,0]=4 919 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [2,0,0,0,0,0|2,0,0]=4 920 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|1,0,0]=3 921 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 922 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 923 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,0,0,0,0|1,1,0]=4 924 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,0,0,0,0|1,1,0]=4 925 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [2,0,0,0,0,0|1,1,0]=4 926 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,0,0,0,0|1,1,0]=4 927 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [2,0,0,0,0,0|0,1,1]=4 928 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [2,0,0,0,0,0|1,1,0]=4 929 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [2,0,0,0,0,0|1,1,0]=4 930 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [2,0,0,0,0,0|1,0,0]=3 931 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [2,0,0,0,0,0|1,0,0]=3 932 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [2,0,0,0,0,0|1,0,0]=3 933 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [2,0,0,0,0,0|1,0,0]=3 934 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [2,0,0,0,0,0|1,0,0]=3 935 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [2,0,0,0,0,0|1,0,0]=3 936 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [2,0,0,0,0,0|2,0,0]=4 937 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [2,0,0,0,0,0|2,0,0]=4 938 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [2,0,0,0,0,0|1,0,1]=4 939 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [2,0,0,0,0,0|1,0,1]=4 940 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|1,0,0]=3 941 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 942 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [2,0,0,0,0,0|1,1,0]=4 943 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [2,0,0,0,0,0|1,1,0]=4 944 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [2,0,0,0,0,0|1,1,0]=4 945 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [2,0,0,0,0,0|1,1,0]=4 946 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [2,0,0,0,0,0|1,1,0]=4 947 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,0,0,0,0|1,0,0]=3 948 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,0,0,0,0|1,0,0]=3 949 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [2,0,0,0,0,0|2,0,0]=4 950 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 951 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [1,1,0,0,0,0|1,0,1]=4 952 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [1,1,0,0,0,0|1,0,1]=4 953 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,1,0,0,0,0|1,0,1]=4 954 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,1,0,0,0,0|1,0,1]=4 955 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [1,1,0,0,0,0|0,1,1]=4 956 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [1,1,0,0,0,0|0,0,2]=4 957 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [1,1,0,0,0,0|0,0,2]=4 958 B9R0.1 C[C@@H](CO)CSCC(F)F 62a_100000059175_100011934356 [1,1,0,0,0,0|1,0,1]=4 959 B9R0.1 C[C@@H](CO)CSCC(F)F 62a_100011934356_100000059175 [1,1,0,0,0,0|1,0,1]=4 960 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,1,0,0,0,0|1,0,1]=4 961 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,1,0,0,0,0|1,0,1]=4 962 B9R0.20 CC(C)(CO)COCCN 34a_100000210304_100009813988 [1,1,0,0,0,0|0,1,1]=4 963 B9R0.20 CC(C)(CO)CSCCF 62a_100009813988_100011217306 [1,1,0,0,0,0|1,0,1]=4 964 B9R0.20 CC(C)(CO)CSCCF 62a_100011217306_100009813988 [1,1,0,0,0,0|1,0,1]=4 965 B9R0.20 CC(C)(CO)CSCCO 62a_100000211926_100009813988 [1,1,0,0,0,0|1,0,1]=4 966 B9R0.20 CC(C)(CO)CSCCO 62a_100009813988_100000211926 [1,1,0,0,0,0|1,0,1]=4 967 B9R0.20 CCCSCC(C)(C)CO 62a_100000210303_100009813988 [1,1,0,0,0,0|1,0,1]=4 968 B9R0.20 CCCSCC(C)(C)CO 62a_100009813988_100000210303 [1,1,0,0,0,0|1,0,1]=4 969 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [1,1,0,0,0,0|0,1,1]=4 970 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [1,1,0,0,0,0|1,0,1]=4 971 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [1,1,0,0,0,0|1,0,1]=4 972 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [1,1,0,0,0,0|1,0,1]=4 973 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [1,1,0,0,0,0|1,0,1]=4 974 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [1,1,0,0,0,0|1,0,1]=4 975 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000059175_100000688953 [1,1,0,0,0,0|1,0,1]=4 976 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000688953_100000059175 [1,1,0,0,0,0|1,0,1]=4 977 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [1,1,0,0,0,0|1,0,1]=4 978 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [1,1,0,0,0,0|1,0,1]=4 979 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|1,0,1]=4 980 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|1,0,1]=4 981 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|1,0,1]=4 982 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [1,1,0,0,0,0|1,0,1]=4 983 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [1,1,0,0,0,0|1,0,1]=4 984 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [1,1,0,0,0,0|1,0,1]=4 985 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [1,1,0,0,0,0|1,0,1]=4 986 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [1,1,0,0,0,0|1,0,1]=4 987 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [1,1,0,0,0,0|1,0,1]=4 988 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [1,1,0,0,0,0|0,1,1]=4 989 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [1,1,0,0,0,0|0,1,1]=4 990 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100000059175_100011215226 [1,1,0,0,0,0|0,0,2]=4 991 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100011215226_100000059175 [1,1,0,0,0,0|0,0,2]=4 992 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [1,1,0,0,0,0|1,0,1]=4 993 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [1,1,0,0,0,0|1,0,1]=4 994 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [1,1,0,0,0,0|1,0,1]=4 995 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [1,1,0,0,0,0|1,0,1]=4 996 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [1,1,0,0,0,0|2,0,0]=4 997 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [1,1,0,0,0,0|2,0,0]=4 998 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [1,1,0,0,0,0|2,0,0]=4 999 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [1,1,0,0,0,0|2,0,0]=4 1000 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,1,0,0,0,0|2,0,0]=4 1001 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,1,0,0,0,0|2,0,0]=4 1002 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [1,1,0,0,0,0|2,0,0]=4 1003 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [1,1,0,0,0,0|2,0,0]=4 1004 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,1,0,0,0,0|1,1,0]=4 1005 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,1,0,0,0,0|2,0,0]=4 1006 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,1,0,0,0,0|2,0,0]=4 1007 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|2,0,0]=4 1008 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|2,0,0]=4 1009 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [1,1,0,0,0,0|1,0,1]=4 1010 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [1,1,0,0,0,0|1,0,1]=4 1011 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,1,0,0,0,0|2,0,0]=4 1012 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,1,0,0,0,0|2,0,0]=4 1013 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|2,0,0]=4 1014 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|2,0,0]=4 1015 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [1,1,0,0,0,0|2,0,0]=4 1016 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [1,1,0,0,0,0|2,0,0]=4 1017 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,1,0,0,0,0|2,0,0]=4 1018 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,1,0,0,0,0|2,0,0]=4 1019 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,1,0,0,0,0|2,0,0]=4 1020 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,1,0,0,0,0|2,0,0]=4 1021 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,1,0,0,0,0|1,1,0]=4 1022 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [1,1,0,0,0,0|2,0,0]=4 1023 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [1,1,0,0,0,0|2,0,0]=4 1024 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,1,0,0,0,0|2,0,0]=4 1025 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,1,0,0,0,0|2,0,0]=4 1026 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|2,0,0]=4 1027 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|2,0,0]=4 1028 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|2,0,0]=4 1029 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,1,0,0,0,0|2,0,0]=4 1030 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,1,0,0,0,0|2,0,0]=4 1031 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|2,0,0]=4 1032 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|2,0,0]=4 1033 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,1,0,0,0,0|2,0,0]=4 1034 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,1,0,0,0,0|2,0,0]=4 1035 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,1,0,0,0,0|2,0,0]=4 1036 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,1,0,0,0,0|2,0,0]=4 1037 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,1,0,0,0,0|2,0,0]=4 1038 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,1,0,0,0,0|2,0,0]=4 1039 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,1,0,0,0,0|2,0,0]=4 1040 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,1,0,0,0,0|2,0,0]=4 1041 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,1,0,0,0,0|2,0,0]=4 1042 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,1,0,0,0,0|2,0,0]=4 1043 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,1,0,0,0,0|2,0,0]=4 1044 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,1,0,0,0,0|2,0,0]=4 1045 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,1,0,0,0,0|2,0,0]=4 1046 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,1,0,0,0,0|2,0,0]=4 1047 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,1,0,0,0,0|2,0,0]=4 1048 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,1,0,0,0,0|2,0,0]=4 1049 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,1,0,0,0,0|2,0,0]=4 1050 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,1,0,0,0,0|2,0,0]=4 1051 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,1,0,0,0,0|2,0,0]=4 1052 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,1,0,0,0,0|2,0,0]=4 1053 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,1,0,0,0,0|2,0,0]=4 1054 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,1,0,0,0,0|2,0,0]=4 1055 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,1,0,0,0,0|2,0,0]=4 1056 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,1,0,0,0,0|2,0,0]=4 1057 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,1,0,0,0,0|2,0,0]=4 1058 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,1,0,0,0,0|2,0,0]=4 1059 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,1,0,0,0,0|2,0,0]=4 1060 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,1,0,0,0,0|2,0,0]=4 1061 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [1,1,0,0,0,0|1,0,1]=4 1062 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [1,1,0,0,0,0|1,0,1]=4 1063 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,1,0,0,0,0|2,0,0]=4 1064 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,1,0,0,0,0|2,0,0]=4 1065 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,1,0,0,0,0|2,0,0]=4 1066 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,1,0,0,0,0|2,0,0]=4 1067 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,1,0,0,0,0|2,0,0]=4 1068 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,1,0,0,0,0|2,0,0]=4 1069 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,1,0,0,0,0|2,0,0]=4 1070 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,1,0,0,0,0|2,0,0]=4 1071 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [1,1,0,0,0,0|2,0,0]=4 1072 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [1,1,0,0,0,0|2,0,0]=4 1073 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [1,1,0,0,0,0|2,0,0]=4 1074 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [1,1,0,0,0,0|2,0,0]=4 1075 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [1,1,0,0,0,0|2,0,0]=4 1076 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [1,1,0,0,0,0|2,0,0]=4 1077 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [1,1,0,0,0,0|2,0,0]=4 1078 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [1,1,0,0,0,0|2,0,0]=4 1079 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,1,0,0,0,0|2,0,0]=4 1080 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,1,0,0,0,0|1,0,1]=4 1081 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,1,0,0,0,0|1,1,0]=4 1082 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,1,0,0,0,0|1,1,0]=4 1083 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [1,1,0,0,0,0|1,1,0]=4 1084 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [1,1,0,0,0,0|1,1,0]=4 1085 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,1,0,0,0,0|2,0,0]=4 1086 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|2,0,0]=4 1087 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,1,0,0,0,0|1,0,1]=4 1088 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,1,0,0,0,0|1,0,1]=4 1089 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,1,0,0,0,0|1,0,1]=4 1090 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,1,0,0,0,0|2,0,0]=4 1091 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,1,0,0,0,0|2,0,0]=4 1092 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|2,0,0]=4 1093 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|2,0,0]=4 1094 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [1,1,0,0,0,0|2,0,0]=4 1095 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [1,1,0,0,0,0|2,0,0]=4 1096 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|2,0,0]=4 1097 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|2,0,0]=4 1098 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [1,1,0,0,0,0|2,0,0]=4 1099 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [1,1,0,0,0,0|2,0,0]=4 1100 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [1,1,0,0,0,0|2,0,0]=4 1101 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [1,1,0,0,0,0|2,0,0]=4 1102 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [1,1,0,0,0,0|1,1,0]=4 1103 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [1,1,0,0,0,0|2,0,0]=4 1104 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [1,1,0,0,0,0|2,0,0]=4 1105 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [1,1,0,0,0,0|1,0,1]=4 1106 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [1,1,0,0,0,0|1,0,1]=4 1107 B9R0.55 NC(=O)CCSCC(F)F 62a_100000744528_100011934356 [1,1,0,0,0,0|2,0,0]=4 1108 B9R0.55 NC(=O)CCSCC(F)F 62a_100011934356_100000744528 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,1,0,0,0,0|1,0,1]=4 1110 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [1,1,0,0,0,0|2,0,0]=4 1111 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [1,1,0,0,0,0|2,0,0]=4 1112 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1113 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1114 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [1,1,0,0,0,0|2,0,0]=4 1115 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,1,0,0,0,0|2,0,0]=4 1116 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [1,1,0,0,0,0|1,1,0]=4 1117 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [1,1,0,0,0,0|1,1,0]=4 1118 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [1,1,0,0,0,0|1,0,1]=4 1119 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [1,1,0,0,0,0|1,0,1]=4 1120 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [1,1,0,0,0,0|2,0,0]=4 1121 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [1,1,0,0,0,0|2,0,0]=4 1122 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [1,1,0,0,0,0|2,0,0]=4 1123 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [1,1,0,0,0,0|2,0,0]=4 1124 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100009814033_100011934356 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.7 CC(=O)C(C)SCC(F)F 62a_100011934356_100009814033 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [1,1,0,0,0,0|2,0,0]=4 1127 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [1,1,0,0,0,0|2,0,0]=4 1128 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [1,1,0,0,0,0|1,0,1]=4 1129 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [1,1,0,0,0,0|1,0,1]=4 1130 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [1,1,0,0,0,0|2,0,0]=4 1131 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [1,1,0,0,0,0|2,0,0]=4 1132 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [1,1,0,0,0,0|2,0,0]=4 1133 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [1,1,0,0,0,0|1,0,0]=3 1134 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [1,1,0,0,0,0|2,0,0]=4 1135 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,1,0,0,0,0|2,0,0]=4 1136 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [1,1,0,0,0,0|2,0,0]=4 1137 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [1,1,0,0,0,0|2,0,0]=4 1138 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [1,1,0,0,0,0|1,1,0]=4 1139 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [1,1,0,0,0,0|1,0,1]=4 1140 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [1,1,0,0,0,0|1,0,1]=4 1141 B9R0.7 CC(SCC(F)F)C(=O)N 62a_100000702099_100011934356 [1,1,0,0,0,0|2,0,0]=4 1142 B9R0.7 CC(SCC(F)F)C(=O)N 62a_100011934356_100000702099 [1,1,0,0,0,0|2,0,0]=4 1143 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [1,1,0,0,0,0|2,0,0]=4 1144 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [1,1,0,0,0,0|2,0,0]=4 1145 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,1,0,0,0,0|1,0,1]=4 1146 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [1,1,0,0,0,0|2,0,0]=4 1147 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [1,1,0,0,0,0|2,0,0]=4 1148 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [1,1,0,0,0,0|1,1,0]=4 1149 B9R0.13 CCC(SCCF)C(=O)N 62a_100000750255_100011217306 [1,1,0,0,0,0|2,0,0]=4 1150 B9R0.13 CCC(SCCF)C(=O)N 62a_100011217306_100000750255 [1,1,0,0,0,0|2,0,0]=4 1151 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [1,1,0,0,0,0|2,0,0]=4 1152 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [1,1,0,0,0,0|2,0,0]=4 1153 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,1,0,0,0,0|2,0,0]=4 1154 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,1,0,0,0,0|2,0,0]=4 1155 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,1,0,0,0,0|2,0,0]=4 1156 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|2,0,0]=4 1157 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|2,0,0]=4 1158 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|2,0,0]=4 1159 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [1,1,0,0,0,0|2,0,0]=4 1160 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [1,1,0,0,0,0|2,0,0]=4 1161 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [1,1,0,0,0,0|2,0,0]=4 1164 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1166 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1167 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1168 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|2,0,0]=4 1169 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|2,0,0]=4 1170 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [1,1,0,0,0,0|2,0,0]=4 1171 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [1,1,0,0,0,0|2,0,0]=4 1172 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,1,0,0,0,0|2,0,0]=4 1173 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|2,0,0]=4 1176 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|2,0,0]=4 1177 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|2,0,0]=4 1178 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [1,1,0,0,0,0|2,0,0]=4 1179 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [1,1,0,0,0,0|2,0,0]=4 1180 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [1,1,0,0,0,0|2,0,0]=4 1181 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [1,1,0,0,0,0|2,0,0]=4 1182 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [1,1,0,0,0,0|2,0,0]=4 1183 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [1,1,0,0,0,0|1,1,0]=4 1184 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [1,1,0,0,0,0|2,0,0]=4 1185 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [1,1,0,0,0,0|2,0,0]=4 1186 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [1,1,0,0,0,0|2,0,0]=4 1187 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [1,1,0,0,0,0|2,0,0]=4 1188 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [1,1,0,0,0,0|2,0,0]=4 1189 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [1,1,0,0,0,0|2,0,0]=4 1190 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [1,1,0,0,0,0|2,0,0]=4 1191 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [1,1,0,0,0,0|2,0,0]=4 1192 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [1,1,0,0,0,0|2,0,0]=4 1193 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [1,1,0,0,0,0|2,0,0]=4 1194 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [1,1,0,0,0,0|2,0,0]=4 1195 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100000075568_100011217306 [1,1,0,0,0,0|2,0,0]=4 1196 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100011217306_100000075568 [1,1,0,0,0,0|2,0,0]=4 1197 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [1,1,0,0,0,0|2,0,0]=4 1198 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [1,1,0,0,0,0|2,0,0]=4 1199 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [1,1,0,0,0,0|2,0,0]=4 1200 B9R0.51 CC(C)(CSCF)C(=O)N 62a_100015361967_200009895572 [1,1,0,0,0,0|2,0,0]=4 1201 B9R0.51 CC(C)(CSCF)C(=O)N 62a_200009895572_100015361967 [1,1,0,0,0,0|2,0,0]=4 1202 B9R0.51 CC(C)(OCCN)C(=O)N 34a_100000210304_100000702505 [1,1,0,0,0,0|1,1,0]=4 1203 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100000702505_100011217306 [1,1,0,0,0,0|2,0,0]=4 1204 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100011217306_100000702505 [1,1,0,0,0,0|2,0,0]=4 1205 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000211926_100000702505 [1,1,0,0,0,0|2,0,0]=4 1206 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000702505_100000211926 [1,1,0,0,0,0|2,0,0]=4 1207 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [1,1,0,0,0,0|2,0,0]=4 1208 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [1,1,0,0,0,0|2,0,0]=4 1209 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1210 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1211 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [1,1,0,0,0,0|2,0,0]=4 1212 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [1,1,0,0,0,0|2,0,0]=4 1213 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [1,1,0,0,0,0|2,0,0]=4 1214 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [1,1,0,0,0,0|2,0,0]=4 1215 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [1,1,0,0,0,0|2,0,0]=4 1216 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [1,1,0,0,0,0|2,0,0]=4 1217 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [1,1,0,0,0,0|1,0,0]=3 1218 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [1,1,0,0,0,0|2,0,0]=4 1219 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [1,1,0,0,0,0|2,0,0]=4 1220 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [1,1,0,0,0,0|1,1,0]=4 1221 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [1,1,0,0,0,0|1,0,0]=3 1222 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [1,1,0,0,0,0|1,0,0]=3 1223 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,0,0,0,1|2,0,0]=4 1224 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,0,0,0,1|2,0,0]=4 1225 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,1,0,0,0,1|2,0,0]=4 1226 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,1,0,0,0,1|2,0,0]=4 1227 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [0,1,0,0,0,1|2,0,0]=4 1228 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [0,1,0,0,0,1|1,1,0]=4 1229 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100000754131_100011217306 [0,1,0,0,0,1|2,0,0]=4 1230 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100011217306_100000754131 [0,1,0,0,0,1|2,0,0]=4 1231 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [0,1,0,0,0,1|2,0,0]=4 1232 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [0,1,0,0,0,1|2,0,0]=4 1233 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,2,0,0,0,0|2,0,0]=4 1234 B11R0.187 CCCN(C)CC(C)C(=O)OC 269982a_100000747261_100000698445 [0,2,0,0,0,0|2,0,0]=4 1235 B11R0.187 COC(=O)C(C)CN(C)CCO 269982a_100000210263_100000698445 [0,2,0,0,0,0|2,0,0]=4 1236 B11R0.125 C#CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000688953 [0,2,0,0,0,0|2,0,0]=4 1237 B11R0.125 C#CCCSCC(C)(C)C(=O)N 62a_100000688953_200009895572 [0,2,0,0,0,0|2,0,0]=4 1238 B11R0.125 C#CCCSCC(C)(C)C(=O)N 62a_200009895572_100000688953 [0,2,0,0,0,0|2,0,0]=4 1239 B11R0.125 C=CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000754431 [0,2,0,0,0,0|2,0,0]=4 1240 B11R0.125 C=CCCSCC(C)(C)C(=O)N 62a_100000754431_200009895572 [0,2,0,0,0,0|2,0,0]=4 1241 B11R0.125 C=CCCSCC(C)(C)C(=O)N 62a_200009895572_100000754431 [0,2,0,0,0,0|2,0,0]=4 1242 B11R0.125 CC(C)(CNCCC#N)C(=O)O 269956a_100000693527_100011215226 [0,2,0,0,0,0|1,0,1]=4 1243 B11R0.125 CC(C)(CNCCCF)C(=O)O 269956a_100000693527_100011934791 [0,2,0,0,0,0|2,0,0]=4 1244 B11R0.125 CC(C)(CNCCCO)C(=O)O 269956a_100000693527_100011215043 [0,2,0,0,0,0|2,0,0]=4 1245 B11R0.125 CC(C)(COCCCN)C(=O)N 34a_100000182051_200009895572 [0,2,0,0,0,0|1,1,0]=4 1246 B11R0.125 CC(C)(COCCON)C(=O)N 34a_100000700252_200009895572 [0,2,0,0,0,0|1,1,0]=4 1247 B11R0.125 CC(C)(CSCCC#N)C(=O)N 62a_100011215226_200009895572 [0,2,0,0,0,0|1,0,1]=4 1248 B11R0.125 CC(C)(CSCCC#N)C(=O)N 62a_200009895572_100011215226 [0,2,0,0,0,0|1,0,1]=4 1249 B11R0.125 CC(C)(CSCCCF)C(=O)N 62a_100011934791_200009895572 [0,2,0,0,0,0|2,0,0]=4 1250 B11R0.125 CC(C)(CSCCCF)C(=O)N 62a_200009895572_100011934791 [0,2,0,0,0,0|2,0,0]=4 1251 B11R0.125 CC(C)(CSCCCO)C(=O)N 62a_100011215043_200009895572 [0,2,0,0,0,0|2,0,0]=4 1252 B11R0.125 CC(C)(CSCCCO)C(=O)N 62a_200009895572_100011215043 [0,2,0,0,0,0|2,0,0]=4 1253 B11R0.125 CC(C)(OCCCCN)C(=O)N 34a_100000750430_100000702505 [0,2,0,0,0,0|2,0,0]=4 1254 B11R0.125 CCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210211 [0,2,0,0,0,0|2,0,0]=4 1255 B11R0.125 CCCCSCC(C)(C)C(=O)N 62a_100000210211_200009895572 [0,2,0,0,0,0|2,0,0]=4 1256 B11R0.125 CCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210210 [0,2,0,0,0,0|2,0,0]=4 1257 B11R0.125 CCOCNCC(C)(C)C(=O)O 269956a_100000693527_100000739092 [0,2,0,0,0,0|2,0,0]=4 1258 B11R0.125 CCOCSCC(C)(C)C(=O)N 62a_100000739092_200009895572 [0,2,0,0,0,0|2,0,0]=4 1259 B11R0.125 CCOCSCC(C)(C)C(=O)N 62a_200009895572_100000739092 [0,2,0,0,0,0|2,0,0]=4 1260 B11R0.125 COCCNCC(C)(C)C(=O)O 269956a_100000693527_100000233755 [0,2,0,0,0,0|2,0,0]=4 1261 B11R0.125 COCCSCC(C)(C)C(=O)N 62a_100000233755_200009895572 [0,2,0,0,0,0|2,0,0]=4 1262 B11R0.125 COCCSCC(C)(C)C(=O)N 62a_200009895572_100000233755 [0,2,0,0,0,0|2,0,0]=4 1263 B11R0.125 CSCCNCC(C)(C)C(=O)O 269956a_100000693527_100000212216 [0,2,0,0,0,0|2,0,0]=4 1264 B11R0.125 CSCCSCC(C)(C)C(=O)N 62a_100000212216_200009895572 [0,2,0,0,0,0|2,0,0]=4 1265 B11R0.125 CSCCSCC(C)(C)C(=O)N 62a_200009895572_100000751147 [0,2,0,0,0,0|2,0,0]=4 1266 B11R0.201 CC(CN)OCC(C)(C)C(=O)N 34a_100000210904_200009895572 [0,2,0,0,0,0|1,1,0]=4 1267 B11R0.201 CC(CO)SCC(C)(C)C(=O)N 62a_100012180447_200009895572 [0,2,0,0,0,0|2,0,0]=4 1268 B11R0.201 CCC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000758301 [0,2,0,0,0,0|2,0,0]=4 1269 B11R0.201 CCC(C)SCC(C)(C)C(=O)N 62a_100000758301_200009895572 [0,2,0,0,0,0|2,0,0]=4 1270 B11R0.201 CCC(C)SCC(C)(C)C(=O)N 62a_200009895572_100000758301 [0,2,0,0,0,0|2,0,0]=4 1271 B11R0.201 C[C@H](CO)NCC(C)(C)C(=O)O 269956a_100000693527_100016084084 [0,2,0,0,0,0|2,0,0]=4 1272 B11R0.201 C[C@H](CO)SCC(C)(C)C(=O)N 62a_100016084084_200009895572 [0,2,0,0,0,0|2,0,0]=4 1273 B11R0.201 C[C@H](CO)SCC(C)(C)C(=O)N 62a_200009895572_100016084084 [0,2,0,0,0,0|2,0,0]=4 1274 B11R0.202 CC(C)(CNCC(=O)N)C(=O)O 269956a_100000693527_100000187820 [0,2,0,0,0,0|1,0,1]=4 1275 B11R0.202 CC(C)(CNCC(F)F)C(=O)O 269956a_100000693527_100011934356 [0,2,0,0,0,0|2,0,0]=4 1276 B11R0.202 CC(C)(CSCC(=O)N)C(=O)N 62a_100000747473_200009895572 [0,2,0,0,0,0|1,0,1]=4 1277 B11R0.202 CC(C)(CSCC(=O)N)C(=O)N 62a_200009895572_100000747473 [0,2,0,0,0,0|1,0,1]=4 1278 B11R0.202 CC(C)(CSCC(F)F)C(=O)N 62a_100011934356_200009895572 [0,2,0,0,0,0|2,0,0]=4 1279 B11R0.202 CC(C)(CSCC(F)F)C(=O)N 62a_200009895572_100011934356 [0,2,0,0,0,0|2,0,0]=4 1280 B11R0.202 CC(C)CNCC(C)(C)C(=O)O 269956a_100000693527_100000210760 [0,2,0,0,0,0|2,0,0]=4 1281 B11R0.202 CC(C)CSCC(C)(C)C(=O)N 62a_100000210624_200009895572 [0,2,0,0,0,0|2,0,0]=4 1282 B11R0.202 CC(C)CSCC(C)(C)C(=O)N 62a_200009895572_100000210760 [0,2,0,0,0,0|2,0,0]=4 1283 B11R0.202 CC(O)CNCC(C)(C)C(=O)O 269956a_100000693527_100011218427 [0,2,0,0,0,0|2,0,0]=4 1284 B11R0.202 CC(O)CSCC(C)(C)C(=O)N 62a_100011218427_200009895572 [0,2,0,0,0,0|2,0,0]=4 1285 B11R0.202 CC(O)CSCC(C)(C)C(=O)N 62a_200009895572_100011218427 [0,2,0,0,0,0|2,0,0]=4 1286 B11R0.202 C[C@@H](N)COCC(C)(C)C(=O)N 34a_100000737577_200009895572 [0,2,0,0,0,0|1,1,0]=4 1287 B11R0.202 C[C@@H](O)CNCC(C)(C)C(=O)O 269956a_100000693527_100009817552 [0,2,0,0,0,0|2,0,0]=4 1288 B11R0.202 C[C@@H](O)CSCC(C)(C)C(=O)N 62a_100009817552_200009895572 [0,2,0,0,0,0|2,0,0]=4 1289 B11R0.202 C[C@@H](O)CSCC(C)(C)C(=O)N 62a_200009895572_100009817552 [0,2,0,0,0,0|2,0,0]=4 1290 B11R0.326 C#CCSCC(C)(C)C(=O)OC 62a_100000038162_100000684552 [0,2,0,0,0,0|1,0,1]=4 1291 B11R0.326 C=CCSCC(C)(C)C(=O)OC 62a_100000210623_100000684552 [0,2,0,0,0,0|1,0,1]=4 1292 B11R0.326 C=CCSCC(C)(C)C(=O)OC 62a_100000684552_100000210623 [0,2,0,0,0,0|1,0,1]=4 1293 B11R0.326 CCCOCC(C)(C)C(=O)OC 34a_100000709632_100000210303 [0,2,0,0,0,0|1,1,0]=4 1294 B11R0.326 CCCOCC(C)(C)C(=O)OC 7a_100000709632_100000210303 [0,2,0,0,0,0|1,1,0]=4 1295 B11R0.326 CCCSCC(C)(C)C(=O)NC 62a_100000210303_100000702813 [0,2,0,0,0,0|2,0,0]=4 1296 B11R0.326 CCCSCC(C)(C)C(=O)NC 62a_100000702813_100000210303 [0,2,0,0,0,0|2,0,0]=4 1297 B11R0.326 CCCSCC(C)(C)C(=O)OC 62a_100000210303_100000684552 [0,2,0,0,0,0|1,0,0]=3 1298 B11R0.326 CCCSCC(C)(C)C(=O)OC 62a_100000684552_100000210303 [0,2,0,0,0,0|1,0,0]=3 1299 B11R0.326 CCCSCC(F)(F)C(=O)OC 62a_100000210303_100010295740 [0,2,0,0,0,0|2,0,0]=4 1300 B11R0.326 CCCSCC(F)(F)C(=O)OC 62a_100010295740_100000210303 [0,2,0,0,0,0|2,0,0]=4 1301 B11R0.326 CNC(=O)C(C)(C)COCCN 34a_100000210304_100000702813 [0,2,0,0,0,0|1,1,0]=4 1302 B11R0.326 CNC(=O)C(C)(C)CSCCF 62a_100000702813_100011217306 [0,2,0,0,0,0|2,0,0]=4 1303 B11R0.326 CNC(=O)C(C)(C)CSCCF 62a_100011217306_100000702813 [0,2,0,0,0,0|2,0,0]=4 1304 B11R0.326 CNC(=O)C(C)(C)CSCCO 62a_100000211926_100000702813 [0,2,0,0,0,0|2,0,0]=4 1305 B11R0.326 CNC(=O)C(C)(C)CSCCO 62a_100000702813_100000211926 [0,2,0,0,0,0|2,0,0]=4 1306 B11R0.326 COC(=O)C(C)(C)COCCF 34a_100000709632_100011217306 [0,2,0,0,0,0|1,1,0]=4 1307 B11R0.326 COC(=O)C(C)(C)COCCF 7a_100000709632_100011217306 [0,2,0,0,0,0|1,1,0]=4 1308 B11R0.326 COC(=O)C(C)(C)COCCO 34a_100000709632_100000211926 [0,2,0,0,0,0|1,1,0]=4 1309 B11R0.326 COC(=O)C(C)(C)COCCO 7a_100000709632_100000211926 [0,2,0,0,0,0|1,1,0]=4 1310 B11R0.326 COC(=O)C(C)(C)CSCC#N 62a_100000684552_100011215382 [0,2,0,0,0,0|0,0,2]=4 1311 B11R0.326 COC(=O)C(C)(C)CSCC#N 62a_100011215382_100000684552 [0,2,0,0,0,0|0,0,2]=4 1312 B11R0.326 COC(=O)C(C)(C)CSCC=O 62a_100000684552_200015260668 [0,2,0,0,0,0|1,0,1]=4 1313 B11R0.326 COC(=O)C(C)(C)CSCC=O 62a_200015260668_100000684552 [0,2,0,0,0,0|1,0,1]=4 1314 B11R0.326 COC(=O)C(C)(C)CSCCF 62a_100000684552_100011217306 [0,2,0,0,0,0|1,0,0]=3 1315 B11R0.326 COC(=O)C(C)(C)CSCCF 62a_100011217306_100000684552 [0,2,0,0,0,0|1,0,0]=3 1316 B11R0.326 COC(=O)C(C)(C)CSCCO 62a_100000211926_100000684552 [0,2,0,0,0,0|1,0,0]=3 1317 B11R0.326 COC(=O)C(C)(C)CSCCO 62a_100000684552_100000211926 [0,2,0,0,0,0|1,0,0]=3 1318 B11R0.326 COC(=O)C(C)(C)CSCSC 62a_100000684552_100011218213 [0,2,0,0,0,0|2,0,0]=4 1319 B11R0.326 COC(=O)C(C)(C)CSCSC 62a_100011218213_100000684552 [0,2,0,0,0,0|2,0,0]=4 1320 B11R0.326 COC(=O)C(C)(F)OCCCN 34a_100000182051_200009867631 [0,2,0,0,0,0|2,0,0]=4 1321 B11R0.326 COC(=O)C(F)(F)COCCN 34a_100000210304_100010295740 [0,2,0,0,0,0|1,1,0]=4 1322 B11R0.326 COC(=O)C(F)(F)CSCCF 62a_100010295740_100011217306 [0,2,0,0,0,0|2,0,0]=4 1323 B11R0.326 COC(=O)C(F)(F)CSCCF 62a_100011217306_100010295740 [0,2,0,0,0,0|2,0,0]=4 1324 B11R0.326 COC(=O)C(F)(F)CSCCO 62a_100000211926_100010295740 [0,2,0,0,0,0|2,0,0]=4 1325 B11R0.326 COC(=O)C(F)(F)CSCCO 62a_100010295740_100000211926 [0,2,0,0,0,0|2,0,0]=4 1326 B11R0.326 COCSCC(C)(C)C(=O)OC 62a_100000684552_100000766300 [0,2,0,0,0,0|2,0,0]=4 1327 B11R0.326 COCSCC(C)(C)C(=O)OC 62a_100000766300_100000684552 [0,2,0,0,0,0|2,0,0]=4 1328 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,2,0,0,0,0|2,0,0]=4 1329 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,2,0,0,0,0|1,1,0]=4 1330 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,2,0,0,0,0|1,1,0]=4 1331 B11R0.29 CC(=O)C(C)COCCN(C)C 7a_100000032740_100000755713 [0,2,0,0,0,0|1,1,0]=4 1332 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,2,0,0,0,0|2,0,0]=4 1333 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,2,0,0,0,0|2,0,0]=4 1334 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [0,2,0,0,0,0|2,0,0]=4 1335 B11R0.29 CC(C)OCNCC(C)C(=O)O 269956a_100000749485_100000709892 [0,2,0,0,0,0|2,0,0]=4 1336 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,2,0,0,0,0|1,0,0]=3 1337 B11R0.29 CC(CNCCN(C)C)C(=O)O 269956a_100000749485_100000755713 [0,2,0,0,0,0|1,0,0]=3 1338 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,2,0,0,0,0|2,0,0]=4 1339 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,2,0,0,0,0|2,0,0]=4 1340 B11R0.29 CN(C)CCNCC(F)C(=O)O 269956a_100000084737_100000755713 [0,2,0,0,0,0|2,0,0]=4 1341 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,2,0,0,0,0|1,0,1]=4 1342 B11R0.29 C[C@H](NCCCN(C)C)C(=O)O 269956a_100000743915_100000757444 [0,2,0,0,0,0|2,0,0]=4 1343 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,2,0,0,0,0|2,0,0]=4 1344 B11R0.42 C#CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010269958 [0,2,0,0,0,0|2,0,0]=4 1345 B11R0.42 C#CCCCNCC(C)C(=O)O 269956a_100000749485_100011215417 [0,2,0,0,0,0|2,0,0]=4 1346 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,2,0,0,0,0|2,0,0]=4 1347 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,2,0,0,0,0|2,0,0]=4 1348 B11R0.42 C=COCCNCC(C)C(=O)O 269956a_100000749485_100000039644 [0,2,0,0,0,0|2,0,0]=4 1349 B11R0.42 CC(=O)C(C)NCCSCCO 2230a_100011219999_100009814033 [0,2,0,0,0,0|2,0,0]=4 1350 B11R0.42 CC(CNCC#CCO)C(=O)O 269956a_100000749485_200000047223 [0,2,0,0,0,0|2,0,0]=4 1351 B11R0.42 CC(CNCCCC#N)C(=O)O 269956a_100000749485_100000687738 [0,2,0,0,0,0|1,0,1]=4 1352 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,2,0,0,0,0|2,0,0]=4 1353 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,2,0,0,0,0|2,0,0]=4 1354 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,2,0,0,0,0|2,0,0]=4 1355 B11R0.42 CC(CNCCSC#N)C(=O)O 269956a_100000749485_100000034367 [0,2,0,0,0,0|1,0,1]=4 1356 B11R0.42 CC(NCCSCCO)C(=O)N 2230a_100011219999_100000702099 [0,2,0,0,0,0|2,0,0]=4 1357 B11R0.42 CC(OCCCCCN)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 1358 B11R0.42 CC(OCCOCCN)C(=O)N 34a_100000211614_100000702099 [0,2,0,0,0,0|1,1,0]=4 1359 B11R0.42 CC/C=C\CNCC(C)C(=O)O 269956a_100000749485_100103147603 [0,2,0,0,0,0|2,0,0]=4 1360 B11R0.42 CCC#CCNCC(C)C(=O)O 269956a_100000749485_100009813939 [0,2,0,0,0,0|2,0,0]=4 1361 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|2,0,0]=4 1362 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|2,0,0]=4 1363 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,2,0,0,0,0|1,1,0]=4 1364 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,2,0,0,0,0|1,1,0]=4 1365 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,2,0,0,0,0|2,0,0]=4 1366 B11R0.42 CCCSCCNC(C)C(=O)N 2230a_100020603323_100000702099 [0,2,0,0,0,0|2,0,0]=4 1367 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,2,0,0,0,0|2,0,0]=4 1368 B11R0.42 CCCSCCOC(C)C(=O)N 34a_200000230433_100000702099 [0,2,0,0,0,0|2,0,0]=4 1369 B11R0.42 CCCSCCOC(C)C(=O)N 7a_200000230433_100000702099 [0,2,0,0,0,0|2,0,0]=4 1370 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,2,0,0,0,0|2,0,0]=4 1371 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,2,0,0,0,0|2,0,0]=4 1372 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,2,0,0,0,0|2,0,0]=4 1373 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,2,0,0,0,0|2,0,0]=4 1374 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,2,0,0,0,0|2,0,0]=4 1375 B11R0.42 COCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000231047 [0,2,0,0,0,0|1,1,0]=4 1376 B11R0.42 C[C@H](NCCCCC#N)C(=O)O 269956a_100000743915_100011219923 [0,2,0,0,0,0|1,0,1]=4 1377 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,2,0,0,0,0|2,0,0]=4 1378 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,2,0,0,0,0|2,0,0]=4 1379 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,2,0,0,0,0|2,0,0]=4 1380 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,2,0,0,0,0|1,1,0]=4 1381 B11R0.76 CCC(OCCCCN)C(=O)N 34a_100000750430_100000750255 [0,2,0,0,0,0|2,0,0]=4 1382 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,2,0,0,0,0|2,0,0]=4 1383 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|2,0,0]=4 1384 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [0,2,0,0,0,0|2,0,0]=4 1385 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [0,2,0,0,0,0|2,0,0]=4 1386 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,2,0,0,0,0|2,0,0]=4 1387 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,2,0,0,0,0|2,0,0]=4 1388 B11R0.109 C=CC(O)CNCC(C)C(=O)O 269956a_100000749485_100000730141 [0,2,0,0,0,0|2,0,0]=4 1389 B11R0.109 CC(CNCC(O)CO)C(=O)O 269956a_100000749485_100011219619 [0,2,0,0,0,0|2,0,0]=4 1390 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,2,0,0,0,0|2,0,0]=4 1391 B11R0.109 CC(CNC[C@@H](O)CF)C(=O)O 269956a_100000749485_100015614560 [0,2,0,0,0,0|2,0,0]=4 1392 B11R0.109 CC(CNC[C@@H](O)CO)C(=O)O 269956a_100000749485_100009815848 [0,2,0,0,0,0|2,0,0]=4 1393 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,2,0,0,0,0|2,0,0]=4 1394 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [0,2,0,0,0,0|2,0,0]=4 1395 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [0,2,0,0,0,0|2,0,0]=4 1396 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [0,2,0,0,0,0|2,0,0]=4 1397 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,2,0,0,0,0|1,0,1]=4 1398 B11R0.141 CC(CC#N)NCC(C)C(=O)O 269956a_100000749485_100009813641 [0,2,0,0,0,0|1,0,1]=4 1399 B11R0.141 CC(CCN)COC(C)C(=O)N 34a_106354213184_100000702099 [0,2,0,0,0,0|2,0,0]=4 1400 B11R0.141 CC(CCO)NCC(C)C(=O)O 269956a_100000749485_100009893172 [0,2,0,0,0,0|2,0,0]=4 1401 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747444 [0,2,0,0,0,0|2,0,0]=4 1402 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,2,0,0,0,0|2,0,0]=4 1403 B11R0.141 CCCC(C)NCC(C)C(=O)O 269956a_100000749485_100000766640 [0,2,0,0,0,0|2,0,0]=4 1404 B11R0.141 COCC(C)NCC(C)C(=O)O 269956a_100000749485_100000765312 [0,2,0,0,0,0|2,0,0]=4 1405 B11R0.142 C#CCCNCC(C)C(=O)OC 34a_100000755551_100000698445 [0,2,0,0,0,0|2,0,0]=4 1406 B11R0.142 C#CCCOCC(C)C(=O)OC 34a_100000749362_100000688953 [0,2,0,0,0,0|1,1,0]=4 1407 B11R0.142 C#CCCOCC(C)C(=O)OC 34a_100011215631_100000698445 [0,2,0,0,0,0|1,1,0]=4 1408 B11R0.142 C#CCCOCC(C)C(=O)OC 7a_100000749362_100000688953 [0,2,0,0,0,0|1,1,0]=4 1409 B11R0.142 C#CCCSCC(C)C(=O)OC 62a_100000688953_100000698445 [0,2,0,0,0,0|1,0,0]=3 1410 B11R0.142 C#CCCSCC(C)C(=O)OC 62a_100000698445_100000688953 [0,2,0,0,0,0|1,0,0]=3 1411 B11R0.142 C#CCSCCC(C)C(=O)OC 62a_100000038162_100000034942 [0,2,0,0,0,0|1,0,1]=4 1412 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100000698445_100102629194 [0,2,0,0,0,0|1,0,1]=4 1413 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100102629194_100000698445 [0,2,0,0,0,0|1,0,1]=4 1414 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100000749362_100000754431 [0,2,0,0,0,0|1,1,0]=4 1415 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100011205117_100000698445 [0,2,0,0,0,0|1,1,0]=4 1416 B11R0.142 C=CCCOCC(C)C(=O)OC 7a_100000749362_100000754431 [0,2,0,0,0,0|1,1,0]=4 1417 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000698445_100000754431 [0,2,0,0,0,0|1,0,0]=3 1418 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000754431_100000698445 [0,2,0,0,0,0|1,0,0]=3 1419 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000034942_100000210623 [0,2,0,0,0,0|1,0,1]=4 1420 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000210623_100000034942 [0,2,0,0,0,0|1,0,1]=4 1421 B11R0.142 CC#CCSCC(C)C(=O)OC 62a_100000698445_100000748600 [0,2,0,0,0,0|1,0,1]=4 1422 B11R0.142 CC#CCSCC(C)C(=O)OC 62a_100000748600_100000698445 [0,2,0,0,0,0|1,0,1]=4 1423 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000070051_100000698445 [0,2,0,0,0,0|1,0,1]=4 1424 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000698445_100000070051 [0,2,0,0,0,0|1,0,1]=4 1425 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|2,0,0]=4 1426 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,2,0,0,0,0|2,0,0]=4 1427 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,2,0,0,0,0|2,0,0]=4 1428 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,2,0,0,0,0|2,0,0]=4 1429 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,2,0,0,0,0|2,0,0]=4 1430 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,2,0,0,0,0|2,0,0]=4 1431 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,2,0,0,0,0|2,0,0]=4 1432 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,2,0,0,0,0|1,1,0]=4 1433 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,2,0,0,0,0|1,1,0]=4 1434 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,2,0,0,0,0|1,1,0]=4 1435 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,2,0,0,0,0|1,0,0]=3 1436 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,2,0,0,0,0|1,0,0]=3 1437 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,2,0,0,0,0|1,1,0]=4 1438 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,2,0,0,0,0|1,0,0]=3 1439 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,2,0,0,0,0|1,0,0]=3 1440 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000698445_100000739092 [0,2,0,0,0,0|1,0,0]=3 1441 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000739092_100000698445 [0,2,0,0,0,0|1,0,0]=3 1442 B11R0.142 CNC(=O)C(C)OCCCCN 34a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 1443 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,2,0,0,0,0|2,0,0]=4 1444 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [0,2,0,0,0,0|2,0,0]=4 1445 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,2,0,0,0,0|2,0,0]=4 1446 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,2,0,0,0,0|2,0,0]=4 1447 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [0,2,0,0,0,0|1,1,0]=4 1448 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [0,2,0,0,0,0|0,1,0]=3 1449 B11R0.142 COC(=O)C(C)CCSCC#N 62a_100000034942_100011215382 [0,2,0,0,0,0|0,0,2]=4 1450 B11R0.142 COC(=O)C(C)CCSCC#N 62a_100011215382_100000034942 [0,2,0,0,0,0|0,0,2]=4 1451 B11R0.142 COC(=O)C(C)CCSCC=O 62a_100000034942_200015260668 [0,2,0,0,0,0|1,0,1]=4 1452 B11R0.142 COC(=O)C(C)CCSCC=O 62a_200015260668_100000034942 [0,2,0,0,0,0|1,0,1]=4 1453 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,2,0,0,0,0|1,0,0]=3 1454 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,2,0,0,0,0|1,0,0]=3 1455 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,2,0,0,0,0|1,0,0]=3 1456 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,2,0,0,0,0|1,0,0]=3 1457 B11R0.142 COC(=O)C(C)CCSCSC 62a_100000034942_100011218213 [0,2,0,0,0,0|2,0,0]=4 1458 B11R0.142 COC(=O)C(C)CCSCSC 62a_100011218213_100000034942 [0,2,0,0,0,0|2,0,0]=4 1459 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [0,2,0,0,0,0|2,0,0]=4 1460 B11R0.142 COC(=O)C(C)COCCC#N 7a_100000749362_100000184422 [0,2,0,0,0,0|0,1,1]=4 1461 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [0,2,0,0,0,0|1,1,0]=4 1462 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [0,2,0,0,0,0|1,1,0]=4 1463 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [0,2,0,0,0,0|1,1,0]=4 1464 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [0,2,0,0,0,0|1,1,0]=4 1465 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [0,2,0,0,0,0|1,1,0]=4 1466 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [0,2,0,0,0,0|0,1,0]=3 1467 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,2,0,0,0,0|1,1,0]=4 1468 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,2,0,0,0,0|1,1,0]=4 1469 B11R0.142 COC(=O)C(C)COCCON 34a_100000700252_100000698445 [0,2,0,0,0,0|0,1,0]=3 1470 B11R0.142 COC(=O)C(C)COCCSC 34a_100000230434_100000698445 [0,2,0,0,0,0|1,1,0]=4 1471 B11R0.142 COC(=O)C(C)COCCSC 34a_100000749362_100000212216 [0,2,0,0,0,0|1,1,0]=4 1472 B11R0.142 COC(=O)C(C)COCCSC 7a_100000749362_100000212216 [0,2,0,0,0,0|1,1,0]=4 1473 B11R0.142 COC(=O)C(C)CSCCC#N 62a_100000698445_100011215226 [0,2,0,0,0,0|0,0,1]=3 1474 B11R0.142 COC(=O)C(C)CSCCC#N 62a_100011215226_100000698445 [0,2,0,0,0,0|0,0,1]=3 1475 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,2,0,0,0,0|1,0,0]=3 1476 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,2,0,0,0,0|1,0,0]=3 1477 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,2,0,0,0,0|1,0,0]=3 1478 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,2,0,0,0,0|1,0,0]=3 1479 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000212216_100000698445 [0,2,0,0,0,0|1,0,0]=3 1480 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000698445_100000751147 [0,2,0,0,0,0|1,0,0]=3 1481 B11R0.142 COC(=O)C(C)CSCSC#N 62a_100000211825_100000698445 [0,2,0,0,0,0|0,0,2]=4 1482 B11R0.142 COC(=O)C(C)CSCSC#N 62a_100000698445_100000211825 [0,2,0,0,0,0|0,0,2]=4 1483 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 1484 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 1485 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,2,0,0,0,0|2,0,0]=4 1486 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 1487 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 1488 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,2,0,0,0,0|2,0,0]=4 1489 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 1490 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 1491 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,2,0,0,0,0|2,0,0]=4 1492 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,2,0,0,0,0|1,0,0]=3 1493 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,2,0,0,0,0|2,0,0]=4 1494 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,2,0,0,0,0|2,0,0]=4 1495 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,2,0,0,0,0|2,0,0]=4 1496 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 1497 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,2,0,0,0,0|2,0,0]=4 1498 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [0,2,0,0,0,0|1,1,0]=4 1499 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [0,2,0,0,0,0|1,1,0]=4 1500 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [0,2,0,0,0,0|1,1,0]=4 1501 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [0,2,0,0,0,0|1,0,0]=3 1502 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [0,2,0,0,0,0|1,0,0]=3 1503 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [0,2,0,0,0,0|2,0,0]=4 1504 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [0,2,0,0,0,0|2,0,0]=4 1505 B11R0.21 CCC(CC)NCC(C)C(=O)O 269956a_100000749485_100000210505 [0,2,0,0,0,0|2,0,0]=4 1506 B11R0.120 C#CC(C)SCC(C)C(=O)OC 62a_200000035995_100000698445 [0,2,0,0,0,0|1,0,1]=4 1507 B11R0.120 C=CC(C)SCC(C)C(=O)OC 62a_100011215867_100000698445 [0,2,0,0,0,0|1,0,1]=4 1508 B11R0.120 CCC(C)OCC(C)C(=O)OC 34a_100000749362_100011215416 [0,2,0,0,0,0|1,1,0]=4 1509 B11R0.120 CCC(C)OCC(C)C(=O)OC 7a_100000749362_100000758301 [0,2,0,0,0,0|1,1,0]=4 1510 B11R0.120 CCC(C)SCC(C)C(=O)OC 62a_100000698445_100000758301 [0,2,0,0,0,0|1,0,0]=3 1511 B11R0.120 CCC(C)SCC(C)C(=O)OC 62a_100000758301_100000698445 [0,2,0,0,0,0|1,0,0]=3 1512 B11R0.120 COC(=O)C(C)COC(C)CF 34a_100016041109_100000698445 [0,2,0,0,0,0|1,1,0]=4 1513 B11R0.120 COC(=O)C(C)COC(C)CN 34a_100000210904_100000698445 [0,2,0,0,0,0|0,1,0]=3 1514 B11R0.120 COC(=O)C(C)COC(C)CO 34a_100000749362_100012180447 [0,2,0,0,0,0|1,1,0]=4 1515 B11R0.120 COC(=O)C(C)COC(C)CO 7a_100000749362_100012180447 [0,2,0,0,0,0|1,1,0]=4 1516 B11R0.120 COC(=O)C(C)CSC(C)C#N 62a_100000698445_100000703298 [0,2,0,0,0,0|0,0,2]=4 1517 B11R0.120 COC(=O)C(C)CSC(C)C#N 62a_100000703298_100000698445 [0,2,0,0,0,0|0,0,2]=4 1518 B11R0.120 COC(=O)C(C)CSC(C)CO 62a_100012180447_100000698445 [0,2,0,0,0,0|1,0,0]=3 1519 B11R0.120 COC(=O)C(C)CSC(C)OC 62a_100000698445_100009879195 [0,2,0,0,0,0|2,0,0]=4 1520 B11R0.120 COC(=O)C(C)CSC(C)OC 62a_100009879195_100000698445 [0,2,0,0,0,0|2,0,0]=4 1521 B11R0.120 COC(=O)C(C)CSC(F)C#N 62a_100000698445_200000117898 [0,2,0,0,0,0|0,0,2]=4 1522 B11R0.120 COC(=O)C(C)CSC(F)C#N 62a_200000117898_100000698445 [0,2,0,0,0,0|0,0,2]=4 1523 B11R0.120 COC(=O)C(C)CS[C@H](C)CO 62a_100000698445_100016084084 [0,2,0,0,0,0|1,0,0]=3 1524 B11R0.120 COC(=O)C(C)CS[C@H](C)CO 62a_100016084084_100000698445 [0,2,0,0,0,0|1,0,0]=3 1525 B11R0.120 COC(=O)C(C)OCC(C)CN 34a_100000744482_100000211248 [0,2,0,0,0,0|2,0,0]=4 1526 B11R0.120 COC(=O)C(C)OC[C@H](F)CN 34a_100015665980_100000211248 [0,2,0,0,0,0|2,0,0]=4 1527 B11R0.302 CC(CNC(F)(F)CO)C(=O)O 269956a_100000749485_100011217949 [0,2,0,0,0,0|2,0,0]=4 1528 B11R0.302 CCC(C)(C)NCC(C)C(=O)O 269956a_100000749485_100000032637 [0,2,0,0,0,0|2,0,0]=4 1529 B11R0.75 CCC(OCCCN)C(=O)OC 34a_100000182051_100000235869 [0,2,0,0,0,0|2,0,0]=4 1530 B11R0.75 COC(=O)C(CO)OCCCN 34a_100000182051_100012276630 [0,2,0,0,0,0|2,0,0]=4 1531 B11R0.75 COC(=O)C(OC)OCCCN 34a_100000182051_100000101307 [0,2,0,0,0,0|2,0,0]=4 1532 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000698445_100000211660 [0,2,0,0,0,0|1,0,1]=4 1533 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000748629_100000698445 [0,2,0,0,0,0|1,0,1]=4 1534 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000042424_100000698445 [0,2,0,0,0,0|1,0,1]=4 1535 B11R0.145 C=C(F)CSCC(C)C(=O)OC 62a_100000698445_100000042424 [0,2,0,0,0,0|1,0,1]=4 1536 B11R0.145 COC(=O)C(C)CNCC(C)C 34a_100000210953_100000698445 [0,2,0,0,0,0|2,0,0]=4 1537 B11R0.145 COC(=O)C(C)CNCC(C)O 34a_100000210904_100000698445 [0,2,0,0,0,0|2,0,0]=4 1538 B11R0.145 COC(=O)C(C)CNCC(F)F 34a_100000765723_100000698445 [0,2,0,0,0,0|2,0,0]=4 1539 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [0,2,0,0,0,0|0,1,1]=4 1540 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [0,2,0,0,0,0|0,1,1]=4 1541 B11R0.145 COC(=O)C(C)COCC(C)Br 34a_100012180447_100000698445 [0,2,0,0,0,0|1,1,0]=4 1542 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000210257_100000698445 [0,2,0,0,0,0|1,1,0]=4 1543 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000749362_100000210624 [0,2,0,0,0,0|1,1,0]=4 1544 B11R0.145 COC(=O)C(C)COCC(C)C 7a_100000749362_100000210760 [0,2,0,0,0,0|1,1,0]=4 1545 B11R0.145 COC(=O)C(C)COCC(C)F 34a_100015925927_100000698445 [0,2,0,0,0,0|1,1,0]=4 1546 B11R0.145 COC(=O)C(C)COCC(C)O 34a_100000749362_100011218427 [0,2,0,0,0,0|1,1,0]=4 1547 B11R0.145 COC(=O)C(C)COCC(C)O 7a_100000749362_100011218427 [0,2,0,0,0,0|1,1,0]=4 1548 B11R0.145 COC(=O)C(C)COCC(F)F 34a_100000743014_100000698445 [0,2,0,0,0,0|1,1,0]=4 1549 B11R0.145 COC(=O)C(C)COCC(F)F 34a_100000749362_100011934356 [0,2,0,0,0,0|1,1,0]=4 1550 B11R0.145 COC(=O)C(C)COCC(F)F 7a_100000749362_100011934356 [0,2,0,0,0,0|1,1,0]=4 1551 B11R0.145 COC(=O)C(C)COC[C@@H](C)Cl 34a_100016084084_100000698445 [0,2,0,0,0,0|1,1,0]=4 1552 B11R0.145 COC(=O)C(C)COC[C@@H](C)N 34a_100000737577_100000698445 [0,2,0,0,0,0|0,1,0]=3 1553 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 34a_100000749362_100009817552 [0,2,0,0,0,0|1,1,0]=4 1554 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 7a_100000749362_100009817552 [0,2,0,0,0,0|1,1,0]=4 1555 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [0,2,0,0,0,0|0,0,1]=3 1556 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [0,2,0,0,0,0|0,0,1]=3 1557 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [0,2,0,0,0,0|1,0,1]=4 1558 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [0,2,0,0,0,0|1,0,1]=4 1559 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000210624_100000698445 [0,2,0,0,0,0|1,0,0]=3 1560 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000698445_100000210760 [0,2,0,0,0,0|1,0,0]=3 1561 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100000698445_100011218427 [0,2,0,0,0,0|1,0,0]=3 1562 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100011218427_100000698445 [0,2,0,0,0,0|1,0,0]=3 1563 B11R0.145 COC(=O)C(C)CSCC(F)F 62a_100000698445_100011934356 [0,2,0,0,0,0|1,0,0]=3 1564 B11R0.145 COC(=O)C(C)CSCC(F)F 62a_100011934356_100000698445 [0,2,0,0,0,0|1,0,0]=3 1565 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100000698445_100009817552 [0,2,0,0,0,0|1,0,0]=3 1566 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100009817552_100000698445 [0,2,0,0,0,0|1,0,0]=3 1567 B11R0.145 COC(=O)C(C)CSC[N+](=O)[O-] 62a_100000698445_100000761209 [0,2,0,0,0,0|2,0,0]=4 1568 B11R0.145 COC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000211248 [0,2,0,0,0,0|2,0,0]=4 1569 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|2,0,0]=4 1570 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|2,0,0]=4 1571 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,2,0,0,0,0|2,0,0]=4 1572 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,2,0,0,0,0|2,0,0]=4 1573 B11R0.318 CC(CNCC(C)(C)C)C(=O)O 269956a_100000749485_100011219605 [0,2,0,0,0,0|2,0,0]=4 1574 B11R0.318 CC(CNCC(C)(C)F)C(=O)O 269956a_100000749485_100011997219 [0,2,0,0,0,0|2,0,0]=4 1575 B11R0.318 CC(CNCC(C)(C)O)C(=O)O 269956a_100000749485_100000764493 [0,2,0,0,0,0|2,0,0]=4 1576 B11R0.318 CC(CNCC(F)(F)F)C(=O)O 269956a_100000749485_100000763148 [0,2,0,0,0,0|2,0,0]=4 1577 B11R0.318 CC(CNCS(=O)(=O)N)C(=O)O 269956a_100000749485_100000741382 [0,2,0,0,0,0|2,0,0]=4 1578 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [1,0,0,1,0,0|1,0,1]=4 1579 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [1,0,0,1,0,0|1,0,1]=4 1580 B9R1.17 FCCSCC1COC1 62a_100010264016_100011217306 [1,0,0,1,0,0|1,0,1]=4 1581 B9R1.17 FCCSCC1COC1 62a_100011217306_100010264016 [1,0,0,1,0,0|1,0,1]=4 1582 B9R1.17 NCCOCC1COC1 34a_100000210304_100010264016 [1,0,0,1,0,0|0,1,1]=4 1583 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [1,0,0,1,0,0|1,0,1]=4 1584 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [1,0,0,1,0,0|1,0,1]=4 1585 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [1,0,0,1,0,0|1,0,1]=4 1586 B9R1.99 CC1(CO1)COCCN 34a_100000210304_100000760498 [1,0,0,1,0,0|0,1,1]=4 1587 B9R1.99 CC1(CO1)CSCCF 62a_100000760498_100011217306 [1,0,0,1,0,0|1,0,1]=4 1588 B9R1.99 CC1(CO1)CSCCF 62a_100011217306_100000760498 [1,0,0,1,0,0|1,0,1]=4 1589 B9R1.99 CC1(CO1)CSCCO 62a_100000211926_100000760498 [1,0,0,1,0,0|1,0,1]=4 1590 B9R1.99 CC1(CO1)CSCCO 62a_100000760498_100000211926 [1,0,0,1,0,0|1,0,1]=4 1591 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [1,0,0,1,0,0|1,0,1]=4 1592 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [1,0,0,1,0,0|1,0,1]=4 1593 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [1,0,0,1,0,0|2,0,0]=4 1594 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [1,0,0,1,0,0|2,0,0]=4 1595 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [1,0,0,1,0,0|2,0,0]=4 1596 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,0,0,1,0,0|2,0,0]=4 1597 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,0,0,1,0,0|2,0,0]=4 1598 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [1,0,0,1,0,0|2,0,0]=4 1599 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [1,0,0,1,0,0|2,0,0]=4 1600 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|2,0,0]=4 1601 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|2,0,0]=4 1602 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [1,0,0,1,0,0|2,0,0]=4 1603 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [1,0,0,1,0,0|2,0,0]=4 1604 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [1,0,0,1,0,0|2,0,0]=4 1605 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [1,0,0,1,0,0|2,0,0]=4 1606 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [1,0,0,1,0,0|2,0,0]=4 1607 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [1,0,0,1,0,0|2,0,0]=4 1608 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [1,0,0,1,0,0|2,0,0]=4 1609 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [1,0,0,1,0,0|2,0,0]=4 1610 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [1,0,0,1,0,0|2,0,0]=4 1611 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [1,0,0,1,0,0|2,0,0]=4 1612 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [1,0,0,1,0,0|2,0,0]=4 1613 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [1,0,0,1,0,0|2,0,0]=4 1614 B11R1.27 C#CCSCC1COC(=O)O1 62a_100000038162_100000073702 [0,0,0,1,0,1|1,0,1]=4 1615 B11R1.27 C#CCSC[C@H]1COC(=O)N1 62a_100000038162_100015307671 [0,0,0,1,0,1|1,0,1]=4 1616 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000073702_100000210623 [0,0,0,1,0,1|1,0,1]=4 1617 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000210623_100000073702 [0,0,0,1,0,1|1,0,1]=4 1618 B11R1.27 C=CCSC[C@H]1COC(=O)N1 62a_100000210623_100015307671 [0,0,0,1,0,1|1,0,1]=4 1619 B11R1.27 C=CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210623 [0,0,0,1,0,1|1,0,1]=4 1620 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,1|1,1,0]=4 1621 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,0,0,1,0,1|1,1,0]=4 1622 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,0,0,1,0,1|1,0,1]=4 1623 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,0,0,1,0,1|1,0,1]=4 1624 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,1|2,0,0]=4 1625 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,1|2,0,0]=4 1626 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,1|1,0,0]=3 1627 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,1|1,0,0]=3 1628 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,0,1,0,1|2,0,0]=4 1629 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,0,1,0,1|2,0,0]=4 1630 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,0,0,1,0,1|1,0,0]=3 1631 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,0,0,1,0,1|1,0,0]=3 1632 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,0,0,1,0,1|2,0,0]=4 1633 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,0,0,1,0,1|2,0,0]=4 1634 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100000766300_100015307671 [0,0,0,1,0,1|2,0,0]=4 1635 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100015307671_100000766300 [0,0,0,1,0,1|2,0,0]=4 1636 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,0,0,1,0,1|2,0,0]=4 1637 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,0,0,1,0,1|2,0,0]=4 1638 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100011218213_100015307671 [0,0,0,1,0,1|2,0,0]=4 1639 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100015307671_100011218213 [0,0,0,1,0,1|2,0,0]=4 1640 B11R1.27 N#CCSCC1COC(=O)O1 62a_100000073702_100011215382 [0,0,0,1,0,1|0,0,2]=4 1641 B11R1.27 N#CCSCC1COC(=O)O1 62a_100011215382_100000073702 [0,0,0,1,0,1|0,0,2]=4 1642 B11R1.27 N#CCSC[C@H]1COC(=O)N1 62a_100011215382_100015307671 [0,0,0,1,0,1|0,0,2]=4 1643 B11R1.27 N#CCSC[C@H]1COC(=O)N1 62a_100015307671_100011215382 [0,0,0,1,0,1|0,0,2]=4 1644 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,0,0,1,0,1|2,0,0]=4 1645 B11R1.27 NCCOCC1=CC(=O)OC1 34a_100000210304_100000716558 [0,0,0,1,0,1|0,1,1]=4 1646 B11R1.27 NCCOCC1CNC(=O)O1 34a_100000210304_100000181169 [0,0,0,1,0,1|1,1,0]=4 1647 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,0,0,1,0,1|0,1,0]=3 1648 B11R1.27 NCCOC[C@H]1COC(=O)N1 34a_100000210304_100015307671 [0,0,0,1,0,1|0,1,0]=3 1649 B11R1.27 O=C1C=C(CO1)CSCCF 62a_100000716558_100011217306 [0,0,0,1,0,1|1,0,1]=4 1650 B11R1.27 O=C1C=C(CO1)CSCCF 62a_100011217306_100000716558 [0,0,0,1,0,1|1,0,1]=4 1651 B11R1.27 O=C1C=C(CO1)CSCCO 62a_100000211926_100000716558 [0,0,0,1,0,1|1,0,1]=4 1652 B11R1.27 O=C1C=C(CO1)CSCCO 62a_100000716558_100000211926 [0,0,0,1,0,1|1,0,1]=4 1653 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,0,0,1,0,1|2,0,0]=4 1654 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,0,0,1,0,1|2,0,0]=4 1655 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,0,0,1,0,1|2,0,0]=4 1656 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,0,0,1,0,1|2,0,0]=4 1657 B11R1.27 O=C1NCC(O1)CSCCF 62a_100000181169_100011217306 [0,0,0,1,0,1|2,0,0]=4 1658 B11R1.27 O=C1NCC(O1)CSCCF 62a_100011217306_100000181169 [0,0,0,1,0,1|2,0,0]=4 1659 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000181169_100000211926 [0,0,0,1,0,1|2,0,0]=4 1660 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000211926_100000181169 [0,0,0,1,0,1|2,0,0]=4 1661 B11R1.27 O=C1N[C@H](CO1)CNCCF 34a_100000724931_100015307671 [0,0,0,1,0,1|2,0,0]=4 1662 B11R1.27 O=C1N[C@H](CO1)CNCCO 2230a_100016997473_100015307671 [0,0,0,1,0,1|2,0,0]=4 1663 B11R1.27 O=C1N[C@H](CO1)CNCCO 34a_100016990907_100015307671 [0,0,0,1,0,1|2,0,0]=4 1664 B11R1.27 O=C1N[C@H](CO1)COCCBr 34a_100000211926_100015307671 [0,0,0,1,0,1|1,1,0]=4 1665 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100011217306_100015307671 [0,0,0,1,0,1|1,0,0]=3 1666 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100015307671_100011217306 [0,0,0,1,0,1|1,0,0]=3 1667 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100000211926_100015307671 [0,0,0,1,0,1|1,0,0]=3 1668 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100015307671_100000211926 [0,0,0,1,0,1|1,0,0]=3 1669 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,0,0,1,0,1|2,0,0]=4 1670 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,0,0,1,0,1|2,0,0]=4 1671 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,0,0,1,0,1|1,1,0]=4 1672 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,0,0,1,0,1|1,0,0]=3 1673 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,0,0,1,0,1|1,0,0]=3 1674 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,0,0,1,0,1|1,0,0]=3 1675 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,0,0,1,0,1|1,0,0]=3 1676 B11R1.27 O=CCSCC1COC(=O)O1 62a_100000073702_200015260668 [0,0,0,1,0,1|1,0,1]=4 1677 B11R1.27 O=CCSCC1COC(=O)O1 62a_200015260668_100000073702 [0,0,0,1,0,1|1,0,1]=4 1678 B11R1.27 O=CCSC[C@H]1COC(=O)N1 62a_100015307671_200015260668 [0,0,0,1,0,1|1,0,1]=4 1679 B11R1.27 O=CCSC[C@H]1COC(=O)N1 62a_200015260668_100015307671 [0,0,0,1,0,1|1,0,1]=4 1680 B11R1.120 CCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210207 [0,0,0,1,0,1|2,0,0]=4 1681 B11R1.120 O=C(O)CC1CN(C1)CCF 269956a_100016993960_100011217306 [0,0,0,1,0,1|2,0,0]=4 1682 B11R1.120 O=C(O)CC1CN(C1)CCO 269956a_100016993960_100000211926 [0,0,0,1,0,1|2,0,0]=4 1683 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,1,0,1,0,0|2,0,0]=4 1684 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,1,0,1,0,0|2,0,0]=4 1685 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 269956a_100015195206_100015361967 [0,1,0,1,0,0|2,0,0]=4 1686 B11R1.716 CC(C)(CNC1CC1)C(=O)O 269956a_100000693527_100000211595 [0,1,0,1,0,0|2,0,0]=4 1687 B11R1.716 CC(C)(CSC1CC1)C(=O)N 62a_200009895572_100000211595 [0,1,0,1,0,0|2,0,0]=4 1688 B11R1.991 CCCNCC1(CC1)C(=O)O 269956a_100000703410_100000210207 [0,1,0,1,0,0|2,0,0]=4 1689 B11R1.991 O=C(O)C1(CC1)CNCCF 269956a_100000703410_100011217306 [0,1,0,1,0,0|2,0,0]=4 1690 B11R1.991 O=C(O)C1(CC1)CNCCO 269956a_100000703410_100000211926 [0,1,0,1,0,0|2,0,0]=4 1691 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,1,0,1,0,0|2,0,0]=4 1692 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,1,0,1,0,0|2,0,0]=4 1693 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,1,0,1,0,0|2,0,0]=4 1694 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,1,0,1,0,0|2,0,0]=4 1695 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,1,0,1,0,0|2,0,0]=4 1696 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|2,0,0]=4 1697 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|2,0,0]=4 1698 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [0,1,0,1,0,0|2,0,0]=4 1699 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 269956a_100000738708_100011217306 [0,1,0,1,0,0|2,0,0]=4 1700 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [0,1,0,1,0,0|2,0,0]=4 1701 B11R1.231 CC1=CC(OC1=O)SCCF 62a_100011217306_200009893386 [0,1,0,1,0,0|1,0,1]=4 1702 B11R1.231 CC1=CC(OC1=O)SCCF 62a_200009893386_100011217306 [0,1,0,1,0,0|1,0,1]=4 1703 B11R1.231 CC1=CC(OC1=O)SCCO 62a_100000211926_200009893386 [0,1,0,1,0,0|1,0,1]=4 1704 B11R1.231 CC1=CC(OC1=O)SCCO 62a_200009893386_100000211926 [0,1,0,1,0,0|1,0,1]=4 1705 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_100000210303_200009893386 [0,1,0,1,0,0|1,0,1]=4 1706 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210303 [0,1,0,1,0,0|1,0,1]=4 1707 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1708 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1709 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|1,0,0]=3 1710 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1711 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1712 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|1,0,0]=3 1713 B11R1.332 CC(CNC1CCC1)C(=O)O 269956a_100000749485_100000749161 [0,1,0,1,0,0|2,0,0]=4 1714 B11R1.332 CC(CNC1COC1)C(=O)O 269956a_100000749485_100009818527 [0,1,0,1,0,0|2,0,0]=4 1715 B11R1.332 C[C@H](NCC1CCC1)C(=O)O 269956a_100000743915_100000763275 [0,1,0,1,0,0|2,0,0]=4 1716 B11R1.332 C[C@H](NCC1CCO1)C(=O)O 269956a_100000743915_100000103362 [0,1,0,1,0,0|2,0,0]=4 1717 B11R1.333 CC(CNCC1CC1)C(=O)O 269956a_100000749485_100000742324 [0,1,0,1,0,0|2,0,0]=4 1718 B11R1.333 CC(CNCC1CO1)C(=O)O 269956a_100000749485_102125554688 [0,1,0,1,0,0|2,0,0]=4 1719 B11R1.333 CC(CNCC1CS1)C(=O)O 269956a_100000749485_100000031435 [0,1,0,1,0,0|2,0,0]=4 1720 B11R1.333 CC(CNC[C@@H]1CO1)C(=O)O 269956a_100000749485_100000745022 [0,1,0,1,0,0|2,0,0]=4 1721 B11R1.333 C[C@H](NCCC1CC1)C(=O)O 269956a_100000743915_100000694398 [0,1,0,1,0,0|2,0,0]=4 1722 B11R1.333 C[C@H](NCCC1CO1)C(=O)O 269956a_100000743915_100000732470 [0,1,0,1,0,0|2,0,0]=4 1723 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,1,0,1,0,0|2,0,0]=4 1724 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [0,1,0,1,0,0|2,0,0]=4 1725 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,1,0,1,0,0|1,0,0]=3 1726 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,1,0,1,0,0|1,0,0]=3 1727 B11R1.121 CCCN1CC(C1)C(=O)OC 269982a_100015188540_100000210303 [0,1,0,1,0,0|2,0,0]=4 1728 B11R1.121 COC(=O)C1CN(C1)CCF 269982a_100015188540_100011217306 [0,1,0,1,0,0|2,0,0]=4 1729 B11R1.121 COC(=O)C1CN(C1)CCO 269982a_100015188540_100000211926 [0,1,0,1,0,0|2,0,0]=4 1730 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|2,0,0]=4 1731 B11R1.293 COC(=O)C(C)CN1CCC1 269982a_100000754969_100000698445 [0,1,0,1,0,0|2,0,0]=4 1732 B11R1.294 COC(=O)C(C)CNC1CC1 34a_100000212008_100000698445 [0,1,0,1,0,0|2,0,0]=4 1733 B11R1.294 COC(=O)C(C)COC1CC1 34a_100000749362_100000211595 [0,1,0,1,0,0|1,1,0]=4 1734 B11R1.294 COC(=O)C(C)CSC1CC1 62a_100000698445_100000211595 [0,1,0,1,0,0|1,0,0]=3 1735 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|2,0,0]=4 1736 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|2,0,0]=4 1737 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|2,0,0]=4 1738 B11R1.298 CN[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200000210301 [0,1,0,1,0,0|2,0,0]=4 1739 B11R1.298 [13CH3]N[C@H](C(=O)O)C1CCCC1 269956a_100012017156_200025704644 [0,1,0,1,0,0|2,0,0]=4 1740 B11R1.473 CCC1SCC(N1C)C(=O)O 269956a_200025741920_200000210301 [0,1,0,1,0,0|1,0,0]=3 1741 B11R1.473 CCC1SCC(N1[13CH3])C(=O)O 269956a_200025741920_200025704644 [0,1,0,1,0,0|1,0,0]=3 1742 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,1,0,1,0,0|2,0,0]=4 1743 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,1,0,1,0,0|2,0,0]=4 1744 B11R0.46 CC(=O)SCC(C)COCCN 34a_100000210304_200000116872 [0,0,0,0,0,2|1,1,0]=4 1745 B11R0.46 CC(=O)SCC(C)CSCCF 62a_100011217306_200000116872 [0,0,0,0,0,2|2,0,0]=4 1746 B11R0.46 CC(=O)SCC(C)CSCCF 62a_200000116872_100011217306 [0,0,0,0,0,2|2,0,0]=4 1747 B11R0.46 CC(=O)SCC(C)CSCCO 62a_100000211926_200000116872 [0,0,0,0,0,2|2,0,0]=4 1748 B11R0.46 CC(=O)SCC(C)CSCCO 62a_200000116872_100000211926 [0,0,0,0,0,2|2,0,0]=4 1749 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,0,0,0,0,2|2,0,0]=4 1750 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,0,0,0,0,2|2,0,0]=4 1751 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,0,0,0,0,2|2,0,0]=4