0 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.75 C#CCCOC[C@H](N)C(=O)N 34a_100000729942_100000688953 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [0,0,0,0,0,0|3,0,1]=4 6 B10R0.75 C/C=C/COC[C@H](N)C(=O)N 34a_100000729942_100102629194 [0,0,0,0,0,0|3,0,1]=4 7 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.75 CC#CCNCC(C)C(=O)O 269956a_100000749485_100000748600 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.75 CC#CCNCC(F)C(=O)O 269956a_100000084737_100000748600 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.75 CC#CCOC[C@H](N)C(=O)N 34a_100000729942_100000748600 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.75 CC=CCOC[C@H](N)C(=O)N 34a_100000729942_100000070051 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,0,0,0,0,0|3,0,0]=3 29 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,0,0,0,0,0|4,0,0]=4 33 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,0,0,0,0,0|4,0,0]=4 34 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,0,0,0,0,0|4,0,0]=4 36 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,0,0,0,0,0|4,0,0]=4 37 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,0,0,0,0,0|4,0,0]=4 40 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,0,0,0,0,0|4,0,0]=4 41 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,0,0,0,0,0|4,0,0]=4 42 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,0,0,0,0,0|4,0,0]=4 43 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,0,0,0,0,0|4,0,0]=4 44 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,0,0,0,0,0|4,0,0]=4 45 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,0,0,0,0,0|4,0,0]=4 47 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,0,0,0,0,0|3,0,0]=3 50 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,0,0,0,0,0|3,0,0]=3 51 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,0,0,0,0,0|4,0,0]=4 52 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,0,0,0,0,0|4,0,0]=4 53 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,0,0,0,0,0|3,0,0]=3 54 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,0,0,0,0,0|4,0,0]=4 55 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,0,0,0,0,0|4,0,0]=4 56 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,0,0,0,0,0|4,0,0]=4 58 B10R0.75 CNCCCCC(=C(F)F)F 2230a_106832991635_200009813713 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.75 CNCCCCC(=C(F)F)F 34a_100102657272_200009813713 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.75 CNCCCCC(=C(F)F)F 7a_106832991635_200009813713 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,0,0,0,0,0|3,0,0]=3 62 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,0,0,0,0,0|3,0,0]=3 63 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,0,0,0,0,0|2,0,1]=3 64 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,0,0,0,0,0|4,0,0]=4 65 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,0,0,0,0,0|4,0,0]=4 66 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,0,0,0,0,0|3,0,0]=3 68 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,0,0,0,0,0|4,0,0]=4 69 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,0,0,0,0,0|4,0,0]=4 70 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,0,0,0,0,0|4,0,0]=4 71 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,0,0,0,0,0|4,0,0]=4 72 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,0,0,0,0,0|4,0,0]=4 73 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,0,0,0,0,0|3,0,1]=4 74 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,0,0,0,0,0|3,0,1]=4 75 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,0,0,0,0,0|4,0,0]=4 76 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,0,0,0,0,0|4,0,0]=4 77 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,0,0,0,0,0|4,0,0]=4 78 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,0,0,0,0,0|4,0,0]=4 79 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,0,0,0,0,0|4,0,0]=4 80 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,0,0,0,0,0|4,0,0]=4 81 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,0,0,0,0,0|3,0,0]=3 86 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,0,0,0,0,0|3,0,0]=3 87 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,0,0,0,0,0|4,0,0]=4 88 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,0,0,0,0,0|4,0,0]=4 89 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,0,0,0,0,0|3,0,0]=3 90 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,0,0,0,0,0|4,0,0]=4 91 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,0,0,0,0,0|4,0,0]=4 92 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,0,0,0,0,0|4,0,0]=4 93 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,0,0,0,0,0|4,0,0]=4 94 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,0,0,0,0,0|4,0,0]=4 95 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,0,0,0,0,0|4,0,0]=4 96 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,0,0,0,0,0|4,0,0]=4 97 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,0,0,0,0,0|4,0,0]=4 98 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,0,0,0,0,0|3,0,1]=4 99 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,0,0,0,0,0|3,0,0]=3 100 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,0,0,0,0,0|3,0,0]=3 101 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,0,0,0,0,0|4,0,0]=4 102 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,0,0,0,0,0|4,0,0]=4 103 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,0,0,0,0,0|3,0,0]=3 104 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,0,0,0,0,0|4,0,0]=4 105 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,0,0,0,0,0|4,0,0]=4 106 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,0,0,0,0,0|4,0,0]=4 107 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,0,0,0,0,0|4,0,0]=4 108 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,0,0,0,0,0|4,0,0]=4 109 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,0,0,0,0,0|4,0,0]=4 110 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,0,0,0,0,0|4,0,0]=4 111 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,0,0,0,0,0|4,0,0]=4 112 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,0,0,0,0,0|4,0,0]=4 113 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|2,0,1]=4 116 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,0,0,0,0,0|2,0,1]=4 117 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [1,0,0,0,0,0|3,0,0]=4 118 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [1,0,0,0,0,0|3,0,0]=4 119 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|2,0,1]=4 120 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|2,0,1]=4 121 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|3,0,0]=4 124 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|3,0,0]=4 126 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 128 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 129 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|3,0,0]=4 130 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|3,0,0]=4 131 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|3,0,0]=4 133 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|3,0,0]=4 135 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|2,0,0]=3 138 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|2,0,0]=3 139 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|2,0,0]=3 140 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|3,0,0]=4 141 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|3,0,0]=4 142 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|3,0,0]=4 143 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|3,0,0]=4 144 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|3,0,0]=4 145 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|3,0,0]=4 146 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|2,0,0]=3 147 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|3,0,0]=4 148 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|3,0,0]=4 149 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|3,0,0]=4 150 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|2,0,1]=4 151 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|3,0,0]=4 152 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|3,0,0]=4 153 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|2,0,1]=4 154 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|2,0,1]=4 155 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|3,0,0]=4 156 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|3,0,0]=4 157 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|3,0,0]=4 158 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,0,0,0,0|3,0,0]=4 159 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|3,0,0]=4 160 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|3,0,0]=4 161 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|3,0,0]=4 162 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|3,0,0]=4 163 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|3,0,0]=4 164 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|3,0,0]=4 165 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|3,0,0]=4 166 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|3,0,0]=4 167 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|3,0,0]=4 168 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|3,0,0]=4 169 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|3,0,0]=4 170 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|3,0,0]=4 171 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|3,0,0]=4 172 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|3,0,0]=4 173 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|3,0,0]=4 174 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|3,0,0]=4 175 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|3,0,0]=4 176 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|3,0,0]=4 177 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|3,0,0]=4 178 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|3,0,0]=4 179 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|3,0,0]=4 180 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|3,0,0]=4 181 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,0,0,0,0|3,0,0]=4 182 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|3,0,0]=4 183 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|3,0,0]=4 184 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|3,0,0]=4 185 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,0,0,0,0|3,0,0]=4 186 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|3,0,0]=4 187 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|3,0,0]=4 188 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,0,0,0,0|3,0,0]=4 189 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,0,0,0,0,0|1,0,1]=3 190 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,0,0,0,0,0|1,0,1]=3 191 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,0,0,0,0,0|1,0,1]=3 192 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|1,0,0]=2 193 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|1,0,0]=2 194 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|1,0,0]=2 195 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 196 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 197 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 198 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,1]=4 199 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 200 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 201 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 202 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|2,0,0]=3 203 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|2,0,0]=3 204 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [1,0,0,0,0,0|2,0,1]=4 205 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [1,0,0,0,0,0|2,0,1]=4 206 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 207 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|2,0,0]=3 208 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 209 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,0,0,0,0,0|2,0,0]=3 210 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,0,0,0,0,0|1,0,1]=3 211 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,0,0,0,0,0|2,0,1]=4 212 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,0,0,0,0,0|2,0,1]=4 213 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [1,0,0,0,0,0|2,0,1]=4 214 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,0,0,0,0,0|3,0,0]=4 215 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,0,0,0,0,0|2,0,1]=4 216 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|2,0,0]=3 217 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 218 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|2,0,0]=3 219 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|2,0,0]=3 221 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|1,0,1]=3 222 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|3,0,0]=4 224 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|3,0,0]=4 226 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,0,0,0,0,0|3,0,0]=4 227 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,0,0,0,0,0|3,0,0]=4 228 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|2,0,0]=3 229 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,0,0,0,0,0|2,0,1]=4 230 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|3,0,0]=4 231 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,0,0,0,0,0|3,0,0]=4 232 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,0,0,0,0,0|2,0,1]=4 233 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,0,0,0,0,0|3,0,0]=4 234 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,0,0,0,0,0|3,0,0]=4 235 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,0,0,0,0,0|3,0,0]=4 238 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [1,0,0,0,0,0|3,0,0]=4 239 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,0,0,0,0,0|3,0,0]=4 240 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,0,0,0,0,0|3,0,0]=4 242 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,0,0,0,0,0|3,0,0]=4 243 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,0,0,0,0,0|3,0,0]=4 244 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,0,0,0,0,0|3,0,0]=4 245 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,0,0,0,0,0|3,0,0]=4 246 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,0,0,0,0,0|3,0,0]=4 247 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|3,0,0]=4 248 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|3,0,0]=4 249 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,0,0,0,0,0|3,0,0]=4 250 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,0,0,0,0,0|3,0,0]=4 251 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|3,0,0]=4 252 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|3,0,0]=4 253 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,0,0,0,0,0|3,0,0]=4 254 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,0,0,0,0,0|3,0,0]=4 255 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,0,0,0,0,0|2,0,1]=4 256 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,0,0,0,0,0|2,0,1]=4 257 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|2,0,0]=3 258 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|2,0,0]=3 259 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|3,0,0]=4 260 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|3,0,0]=4 261 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|3,0,0]=4 262 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|3,0,0]=4 263 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,0,0,0,0,0|3,0,0]=4 264 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 265 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 266 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,0,0,0,0,0|3,0,0]=4 268 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [1,0,0,0,0,0|3,0,0]=4 269 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,0,0,0,0,0|3,0,0]=4 270 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,0,0,0,0,0|3,0,0]=4 271 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,0,0,0,0,0|3,0,0]=4 272 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,0,0,0,0,0|3,0,0]=4 273 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 274 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,0,0,0,0,0|3,0,0]=4 275 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 276 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|3,0,0]=4 277 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|3,0,0]=4 278 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,0,0,0,0,0|3,0,0]=4 279 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,0,0,0,0,0|3,0,0]=4 280 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,0,0,0,0,0|3,0,0]=4 281 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|3,0,0]=4 282 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|3,0,0]=4 283 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|3,0,0]=4 284 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,0,0,0,0,0|3,0,0]=4 285 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,0,0,0,0,0|3,0,0]=4 286 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,0,0,0,0,0|3,0,0]=4 287 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|3,0,0]=4 288 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|3,0,0]=4 289 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,0,0,0,0,0|3,0,0]=4 290 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|3,0,0]=4 291 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 292 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 293 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|1,0,1]=3 294 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,0,0,0,0,0|2,0,1]=4 295 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,0,0,0,0,0|2,0,1]=4 296 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|2,0,0]=3 297 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|2,0,0]=3 298 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,0,0,0,0,0|3,0,0]=4 299 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [1,0,0,0,0,0|3,0,0]=4 300 B9R0.46 C=C[C@H](N)COCCSC 34a_100016989147_100000212216 [1,0,0,0,0,0|3,0,0]=4 301 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [1,0,0,0,0,0|2,0,1]=4 302 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [1,0,0,0,0,0|3,0,0]=4 303 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [1,0,0,0,0,0|3,0,0]=4 304 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [1,0,0,0,0,0|3,0,0]=4 305 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,0,0,0,0,0|2,0,0]=3 306 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,0,0,0,0,0|2,0,0]=3 307 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,0,0,0,0,0|2,0,0]=3 308 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [1,0,0,0,0,0|3,0,0]=4 309 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [1,0,0,0,0,0|3,0,0]=4 310 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [1,0,0,0,0,0|3,0,0]=4 311 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [1,0,0,0,0,0|3,0,0]=4 312 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [1,0,0,0,0,0|3,0,0]=4 313 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [1,0,0,0,0,0|3,0,0]=4 314 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [1,0,0,0,0,0|3,0,0]=4 315 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [1,0,0,0,0,0|3,0,0]=4 316 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [1,0,0,0,0,0|3,0,0]=4 317 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [1,0,0,0,0,0|3,0,0]=4 318 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [1,0,0,0,0,0|2,0,0]=3 319 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [1,0,0,0,0,0|3,0,0]=4 320 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [1,0,0,0,0,0|3,0,0]=4 321 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,0,0,0,0,0|3,0,0]=4 322 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,0,0,0,0,0|3,0,0]=4 323 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [1,0,0,0,0,0|3,0,0]=4 324 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [1,0,0,0,0,0|3,0,0]=4 325 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [1,0,0,0,0,0|3,0,0]=4 326 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [1,0,0,0,0,0|3,0,0]=4 327 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [1,0,0,0,0,0|2,0,1]=4 328 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [1,0,0,0,0,0|2,0,1]=4 329 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [1,0,0,0,0,0|3,0,0]=4 330 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [1,0,0,0,0,0|3,0,0]=4 331 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [1,0,0,0,0,0|3,0,0]=4 332 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [1,0,0,0,0,0|3,0,0]=4 333 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [1,0,0,0,0,0|3,0,0]=4 334 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [1,0,0,0,0,0|3,0,0]=4 335 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [1,0,0,0,0,0|3,0,0]=4 336 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [1,0,0,0,0,0|3,0,0]=4 337 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [1,0,0,0,0,0|3,0,0]=4 338 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [1,0,0,0,0,0|3,0,0]=4 339 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [1,0,0,0,0,0|2,0,1]=4 340 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [1,0,0,0,0,0|2,0,1]=4 341 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,0,0,0,0,0|2,0,0]=3 342 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [1,0,0,0,0,0|2,0,0]=3 343 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [1,0,0,0,0,0|3,0,0]=4 344 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [1,0,0,0,0,0|3,0,0]=4 345 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [1,0,0,0,0,0|2,0,0]=3 346 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [1,0,0,0,0,0|3,0,0]=4 347 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [1,0,0,0,0,0|3,0,0]=4 348 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [1,0,0,0,0,0|3,0,0]=4 349 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [1,0,0,0,0,0|3,0,0]=4 350 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [1,0,0,0,0,0|3,0,0]=4 351 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [1,0,0,0,0,0|3,0,0]=4 352 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [1,0,0,0,0,0|3,0,0]=4 353 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [1,0,0,0,0,0|3,0,0]=4 354 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [1,0,0,0,0,0|3,0,0]=4 355 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [1,0,0,0,0,0|3,0,0]=4 356 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [1,0,0,0,0,0|3,0,0]=4 357 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [1,0,0,0,0,0|3,0,0]=4 358 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [1,0,0,0,0,0|3,0,0]=4 359 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [1,0,0,0,0,0|2,0,1]=4 360 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [1,0,0,0,0,0|3,0,0]=4 361 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [1,0,0,0,0,0|3,0,0]=4 362 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,1,0,0,0,0|3,0,0]=4 363 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,1,0,0,0,0|3,0,0]=4 364 B11R0.29 C=C(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000730704 [0,1,0,0,0,0|3,0,0]=4 365 B11R0.29 CC(=O)C(C)COCCN(C)C 7a_100000032740_100000755713 [0,1,0,0,0,0|3,0,0]=4 366 B11R0.29 CC(=O)C(C)SCCCN(C)C 62a_100009814033_100000757444 [0,1,0,0,0,0|3,0,0]=4 367 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,1,0,0,0,0|3,0,0]=4 368 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,1,0,0,0,0|3,0,0]=4 369 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,1,0,0,0,0|3,0,0]=4 370 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,1,0,0,0,0|3,0,0]=4 371 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [0,1,0,0,0,0|3,0,0]=4 372 B11R0.29 CC(C)CCNCC(F)C(=O)O 269956a_100000084737_100000210312 [0,1,0,0,0,0|3,0,0]=4 373 B11R0.29 CC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000210312 [0,1,0,0,0,0|3,0,0]=4 374 B11R0.29 CC(CNCCN(C)C)C(=O)O 269956a_100000749485_100000755713 [0,1,0,0,0,0|2,0,0]=3 375 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,1,0,0,0,0|3,0,0]=4 376 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,1,0,0,0,0|3,0,0]=4 377 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,1,0,0,0,0|3,0,0]=4 378 B11R0.29 CC(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012276601 [0,1,0,0,0,0|3,0,0]=4 379 B11R0.29 CC(SCCCN(C)C)C(=O)N 62a_100000702099_100000757444 [0,1,0,0,0,0|3,0,0]=4 380 B11R0.29 CN(C)CCCSC(F)C(=O)N 62a_100009813875_100000757444 [0,1,0,0,0,0|3,0,0]=4 381 B11R0.29 CN(C)CCCSC(F)C(=O)[O-] 62a_100020610796_100000757444 [0,1,0,0,0,0|2,0,1]=4 382 B11R0.29 CN(C)CCNCC(F)C(=O)O 269956a_100000084737_100000755713 [0,1,0,0,0,0|2,0,0]=3 383 B11R0.29 C[C@@H](OCCCN(C)C)C(=O)N 7a_100000731257_100000757444 [0,1,0,0,0,0|3,0,0]=4 384 B11R0.29 C[C@H](NCCCN(C)C)C(=O)O 269956a_100000743915_100000757444 [0,1,0,0,0,0|2,0,0]=3 385 B11R0.29 C[C@H](OCCCN(C)C)C(=O)[O-] 7a_217856618621_100000757444 [0,1,0,0,0,0|2,0,1]=4 386 B11R0.42 C#CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010269958 [0,1,0,0,0,0|2,0,1]=4 387 B11R0.42 C#CCCCNCC(C)C(=O)O 269956a_100000749485_100011215417 [0,1,0,0,0,0|2,0,1]=4 388 B11R0.42 C#CCCCNCC(F)C(=O)O 269956a_100000084737_100011215417 [0,1,0,0,0,0|2,0,1]=4 389 B11R0.42 C#CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000695029 [0,1,0,0,0,0|2,0,1]=4 390 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,1,0,0,0,0|2,0,1]=4 391 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,1,0,0,0,0|2,0,1]=4 392 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,1,0,0,0,0|2,0,1]=4 393 B11R0.42 C=CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000757094 [0,1,0,0,0,0|2,0,1]=4 394 B11R0.42 CC(CNCCCC#N)C(=O)O 269956a_100000749485_100000687738 [0,1,0,0,0,0|3,0,0]=4 395 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,1,0,0,0,0|3,0,0]=4 396 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,1,0,0,0,0|3,0,0]=4 397 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,1,0,0,0,0|3,0,0]=4 398 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|3,0,0]=4 399 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,1,0,0,0,0|3,0,0]=4 400 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,1,0,0,0,0|3,0,0]=4 401 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,1,0,0,0,0|3,0,0]=4 402 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,1,0,0,0,0|2,0,0]=3 403 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,1,0,0,0,0|3,0,0]=4 404 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,1,0,0,0,0|3,0,0]=4 405 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,1,0,0,0,0|3,0,0]=4 406 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,1,0,0,0,0|3,0,0]=4 407 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,1,0,0,0,0|3,0,0]=4 408 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,1,0,0,0,0|3,0,0]=4 409 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,1,0,0,0,0|3,0,0]=4 410 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,1,0,0,0,0|3,0,0]=4 411 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,1,0,0,0,0|2,0,1]=4 412 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,1,0,0,0,0|2,0,1]=4 413 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,1,0,0,0,0|3,0,0]=4 414 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,1,0,0,0,0|3,0,0]=4 415 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,1,0,0,0,0|3,0,0]=4 416 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,1,0,0,0,0|3,0,0]=4 417 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,1,0,0,0,0|3,0,0]=4 418 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,1,0,0,0,0|3,0,0]=4 419 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,1,0,0,0,0|3,0,0]=4 420 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,1,0,0,0,0|3,0,0]=4 421 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,1,0,0,0,0|2,0,1]=4 422 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,1,0,0,0,0|2,0,1]=4 423 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,1,0,0,0,0|2,0,0]=3 424 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,1,0,0,0,0|2,0,0]=3 425 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,1,0,0,0,0|3,0,0]=4 426 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,1,0,0,0,0|3,0,0]=4 427 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,1,0,0,0,0|2,0,0]=3 428 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,1,0,0,0,0|3,0,0]=4 429 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,1,0,0,0,0|3,0,0]=4 430 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,1,0,0,0,0|3,0,0]=4 431 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,1,0,0,0,0|3,0,0]=4 432 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,1,0,0,0,0|3,0,0]=4 433 B11R0.42 CCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000210147 [0,1,0,0,0,0|3,0,0]=4 434 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,1,0,0,0,0|3,0,0]=4 435 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,1,0,0,0,0|3,0,0]=4 436 B11R0.42 CCSCCOC[C@H](N)C(=O)N 34a_100000729942_100000757381 [0,1,0,0,0,0|3,0,0]=4 437 B11R0.42 CNCCCOCC(=O)C(=O)C 34a_100000213112_100011261029 [0,1,0,0,0,0|2,0,1]=4 438 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,1,0,0,0,0|2,0,0]=3 439 B11R0.42 COCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000730899 [0,1,0,0,0,0|3,0,0]=4 440 B11R0.42 COCCCCN[C@H](C)C(=O)N 34a_100000119354_100000755781 [0,1,0,0,0,0|3,0,0]=4 441 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,1,0,0,0,0|3,0,0]=4 442 B11R0.42 COCCCCOC(C)C(=O)N 34a_100000740925_100000702099 [0,1,0,0,0,0|3,0,0]=4 443 B11R0.42 COCCCCOC(F)C(=O)N 34a_100000740925_100009813875 [0,1,0,0,0,0|3,0,0]=4 444 B11R0.42 COCCCCOC(F)C(=O)[O-] 34a_100000740925_100020610796 [0,1,0,0,0,0|2,0,1]=4 445 B11R0.42 COCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730899 [0,1,0,0,0,0|2,0,1]=4 446 B11R0.42 COCCCCO[C@H](C)C(=O)N 34a_100000731257_100000755781 [0,1,0,0,0,0|3,0,0]=4 447 B11R0.42 COCCCCO[C@H](C)C(=O)N 7a_100000731257_100000730899 [0,1,0,0,0,0|3,0,0]=4 448 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,1,0,0,0,0|3,0,0]=4 449 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,1,0,0,0,0|3,0,0]=4 450 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000702099_100000730899 [0,1,0,0,0,0|3,0,0]=4 451 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000730899_100000702099 [0,1,0,0,0,0|3,0,0]=4 452 B11R0.42 COCCCCSC(F)C(=O)N 62a_100000730899_100009813875 [0,1,0,0,0,0|3,0,0]=4 453 B11R0.42 COCCCCSC(F)C(=O)N 62a_100009813875_100000730899 [0,1,0,0,0,0|3,0,0]=4 454 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100000730899_100020610796 [0,1,0,0,0,0|2,0,1]=4 455 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100020610796_100000730899 [0,1,0,0,0,0|2,0,1]=4 456 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,1,0,0,0,0|2,0,0]=3 457 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,1,0,0,0,0|2,0,0]=3 458 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,1,0,0,0,0|3,0,0]=4 459 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,1,0,0,0,0|3,0,0]=4 460 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,1,0,0,0,0|2,0,0]=3 461 B11R0.42 COCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000231047 [0,1,0,0,0,0|3,0,0]=4 462 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,1,0,0,0,0|3,0,0]=4 463 B11R0.42 CSCCCCOC(C)C(=O)N 34a_100011217163_100000702099 [0,1,0,0,0,0|3,0,0]=4 464 B11R0.42 CSCCCCOC(C)C(=O)N 7a_100011217163_100000702099 [0,1,0,0,0,0|3,0,0]=4 465 B11R0.42 CSCCCCOC(F)C(=O)N 34a_100011217163_100009813875 [0,1,0,0,0,0|3,0,0]=4 466 B11R0.42 CSCCCCOC(F)C(=O)N 7a_100011217163_100009813875 [0,1,0,0,0,0|3,0,0]=4 467 B11R0.42 CSCCCCOC(F)C(=O)[O-] 34a_100011217163_100020610796 [0,1,0,0,0,0|2,0,1]=4 468 B11R0.42 C[C@H](NCCCCC#N)C(=O)O 269956a_100000743915_100011219923 [0,1,0,0,0,0|3,0,0]=4 469 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,1,0,0,0,0|3,0,0]=4 470 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,1,0,0,0,0|3,0,0]=4 471 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,1,0,0,0,0|3,0,0]=4 472 B11R0.42 N#CCCCNCC(F)C(=O)O 269956a_100000084737_100000687738 [0,1,0,0,0,0|3,0,0]=4 473 B11R0.42 NC(=O)[C@@H](N)COCCCCF 34a_100000729942_100000729493 [0,1,0,0,0,0|3,0,0]=4 474 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,1,0,0,0,0|3,0,0]=4 475 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,1,0,0,0,0|3,0,0]=4 476 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,1,0,0,0,0|3,0,0]=4 477 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [0,1,0,0,0,0|3,0,0]=4 478 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 269956a_100016992060_100000210326 [0,1,0,0,0,0|3,0,0]=4 479 B11R0.76 C=C[C@H](NCCCOC)C(=O)O 269956a_100016992060_100000740836 [0,1,0,0,0,0|3,0,0]=4 480 B11R0.76 CCC(OCCCNC)C(=O)N 34a_100000213112_100000750255 [0,1,0,0,0,0|3,0,0]=4 481 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,1,0,0,0,0|3,0,0]=4 482 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,1,0,0,0,0|3,0,0]=4 483 B11R0.76 CC[C@@H](NCCCOC)C(=O)O 269956a_100000747097_100000740836 [0,1,0,0,0,0|3,0,0]=4 484 B11R0.76 COCCCNC(CO)C(=O)O 269956a_100000187304_100000740836 [0,1,0,0,0,0|3,0,0]=4 485 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [0,1,0,0,0,0|3,0,0]=4 486 B11R0.109 CCC(C)CNCC(F)C(=O)O 269956a_100000084737_100000748023 [0,1,0,0,0,0|3,0,0]=4 487 B11R0.109 CCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748023 [0,1,0,0,0,0|3,0,0]=4 488 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [0,1,0,0,0,0|3,0,0]=4 489 B11R0.109 CCC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218378 [0,1,0,0,0,0|3,0,0]=4 490 B11R0.109 CCC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218378 [0,1,0,0,0,0|3,0,0]=4 491 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [0,1,0,0,0,0|3,0,0]=4 492 B11R0.109 CC[C@H](C)CNCC(F)C(=O)O 269956a_100000084737_100009816398 [0,1,0,0,0,0|3,0,0]=4 493 B11R0.109 CC[C@H](C)COC[C@H](N)C(=O)N 34a_100000729942_100009816398 [0,1,0,0,0,0|3,0,0]=4 494 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,1,0,0,0,0|2,0,1]=4 495 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,1,0,0,0,0|2,0,1]=4 496 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,1,0,0,0,0|2,0,1]=4 497 B11R0.109 CNC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000183359 [0,1,0,0,0,0|2,0,1]=4 498 B11R0.125 CCCCCCC(C)(C)C(=O)C 1458a_100011290782_200000210301 [0,1,0,0,0,0|3,0,0]=4 499 B11R0.125 CCCCCCC(C)(C)C(=O)[13CH3] 1458a_100011290782_200025704644 [0,1,0,0,0,0|3,0,0]=4 500 B11R0.125 CCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210211 [0,1,0,0,0,0|3,0,0]=4 501 B11R0.125 CCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210211 [0,1,0,0,0,0|3,0,0]=4 502 B11R0.125 CNCCCOC(C)(C)C(=O)N 34a_100000213112_100000702505 [0,1,0,0,0,0|3,0,0]=4 503 B11R0.125 CNCCCOC(F)(F)C(=O)[O-] 34a_100000213112_100020612412 [0,1,0,0,0,0|2,0,1]=4 504 B11R0.125 COCCNCC(C)(C)C(=O)O 269956a_100000693527_100000233755 [0,1,0,0,0,0|3,0,0]=4 505 B11R0.125 COCCNCC(F)(F)C(=O)O 269956a_100000734215_100000233755 [0,1,0,0,0,0|3,0,0]=4 506 B11R0.125 CSCCNCC(C)(C)C(=O)O 269956a_100000693527_100000212216 [0,1,0,0,0,0|3,0,0]=4 507 B11R0.125 CSCCNCC(F)(F)C(=O)O 269956a_100000734215_100000212216 [0,1,0,0,0,0|3,0,0]=4 508 B11R0.139 CCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210326 [0,1,0,0,0,0|3,0,0]=4 509 B11R0.139 CCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210210 [0,1,0,0,0,0|3,0,0]=4 510 B11R0.139 COCCCN(C)C(C)C(=O)O 269956a_100000749554_100000740836 [0,1,0,0,0,0|3,0,0]=4 511 B11R0.139 COCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100011201679 [0,1,0,0,0,0|3,0,0]=4 512 B11R0.139 CSCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000212216 [0,1,0,0,0,0|3,0,0]=4 513 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,1,0,0,0,0|3,0,0]=4 514 B11R0.141 CCCC(C)NCC(C)C(=O)O 269956a_100000749485_100000766640 [0,1,0,0,0,0|3,0,0]=4 515 B11R0.141 CCCC(C)NCC(F)C(=O)O 269956a_100000084737_100000766640 [0,1,0,0,0,0|3,0,0]=4 516 B11R0.141 CCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000766640 [0,1,0,0,0,0|3,0,0]=4 517 B11R0.141 COCC(C)NCC(C)C(=O)O 269956a_100000749485_100000765312 [0,1,0,0,0,0|3,0,0]=4 518 B11R0.141 COCC(C)NCC(F)C(=O)O 269956a_100000084737_100000765312 [0,1,0,0,0,0|3,0,0]=4 519 B11R0.141 COCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000765312 [0,1,0,0,0,0|3,0,0]=4 520 B11R0.141 COCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011215053 [0,1,0,0,0,0|3,0,0]=4 521 B11R0.142 C#CC(=O)C(C)CCCCCC 1458a_100000211873_100011215978 [0,1,0,0,0,0|3,0,0]=4 522 B11R0.142 C#CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000688953 [0,1,0,0,0,0|2,0,1]=4 523 B11R0.142 C/C=C/COC[C@@H](N)C(=O)OC 34a_100000003586_100102629194 [0,1,0,0,0,0|2,0,1]=4 524 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,1,0,0,0,0|3,0,0]=4 525 B11R0.142 C=CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000754431 [0,1,0,0,0,0|2,0,1]=4 526 B11R0.142 CC#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000748600 [0,1,0,0,0,0|2,0,1]=4 527 B11R0.142 CC=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000070051 [0,1,0,0,0,0|2,0,1]=4 528 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,0,0,0,0|3,0,0]=4 529 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,1,0,0,0,0|2,0,0]=3 530 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,0,0,0,0|3,0,0]=4 531 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,1,0,0,0,0|3,0,0]=4 532 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,1,0,0,0,0|3,0,0]=4 533 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,1,0,0,0,0|3,0,0]=4 534 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,1,0,0,0,0|3,0,0]=4 535 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,1,0,0,0,0|3,0,0]=4 536 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,1,0,0,0,0|3,0,0]=4 537 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,1,0,0,0,0|3,0,0]=4 538 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,1,0,0,0,0|3,0,0]=4 539 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,1,0,0,0,0|3,0,0]=4 540 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,1,0,0,0,0|3,0,0]=4 541 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,1,0,0,0,0|3,0,0]=4 542 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,1,0,0,0,0|3,0,0]=4 543 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,1,0,0,0,0|3,0,0]=4 544 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,1,0,0,0,0|3,0,0]=4 545 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,1,0,0,0,0|3,0,0]=4 546 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,1,0,0,0,0|2,0,0]=3 547 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,1,0,0,0,0|3,0,0]=4 548 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,1,0,0,0,0|3,0,0]=4 549 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,1,0,0,0,0|3,0,0]=4 550 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,1,0,0,0,0|3,0,0]=4 551 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,1,0,0,0,0|3,0,0]=4 552 B11R0.142 CNCCCOC(C)C(=O)NC 34a_100000213112_100000731044 [0,1,0,0,0,0|3,0,0]=4 553 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,1,0,0,0,0|2,0,0]=3 554 B11R0.142 CNCCCOC(F)C(=O)NC 34a_100000213112_100009813575 [0,1,0,0,0,0|3,0,0]=4 555 B11R0.142 COC(=O)C(C)CCSCSC 62a_100000034942_100011218213 [0,1,0,0,0,0|3,0,0]=4 556 B11R0.142 COC(=O)C(C)CCSCSC 62a_100011218213_100000034942 [0,1,0,0,0,0|3,0,0]=4 557 B11R0.142 COC(=O)C(C)COCCSC 34a_100000230434_100000698445 [0,1,0,0,0,0|3,0,0]=4 558 B11R0.142 COC(=O)C(C)COCCSC 34a_100000749362_100000212216 [0,1,0,0,0,0|3,0,0]=4 559 B11R0.142 COC(=O)C(C)COCCSC 7a_100000749362_100000212216 [0,1,0,0,0,0|3,0,0]=4 560 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000212216_100000698445 [0,1,0,0,0,0|3,0,0]=4 561 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000698445_100000751147 [0,1,0,0,0,0|3,0,0]=4 562 B11R0.142 COC(=O)C(C)NCCCSC 2230a_100000749238_100000211248 [0,1,0,0,0,0|3,0,0]=4 563 B11R0.142 COC(=O)C(C)OCCCSC 34a_100000690336_100000211248 [0,1,0,0,0,0|3,0,0]=4 564 B11R0.142 COC(=O)C(C)OCCCSC 7a_100000690336_100000211248 [0,1,0,0,0,0|3,0,0]=4 565 B11R0.142 COC(=O)C(F)COCCSC 34a_200009849844_100000212216 [0,1,0,0,0,0|3,0,0]=4 566 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,1,0,0,0,0|3,0,0]=4 567 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,1,0,0,0,0|3,0,0]=4 568 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,1,0,0,0,0|2,0,0]=3 569 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [0,1,0,0,0,0|3,0,0]=4 570 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [0,1,0,0,0,0|3,0,0]=4 571 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [0,1,0,0,0,0|3,0,0]=4 572 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [0,1,0,0,0,0|3,0,0]=4 573 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [0,1,0,0,0,0|3,0,0]=4 574 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [0,1,0,0,0,0|3,0,0]=4 575 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [0,1,0,0,0,0|3,0,0]=4 576 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [0,1,0,0,0,0|3,0,0]=4 577 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [0,1,0,0,0,0|3,0,0]=4 578 B11R0.142 COCCOCC(N)C(=O)NN 34a_100016989258_100011201679 [0,1,0,0,0,0|3,0,0]=4 579 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,1,0,0,0,0|2,0,0]=3 580 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [0,1,0,0,0,0|3,0,0]=4 581 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [0,1,0,0,0,0|3,0,0]=4 582 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [0,1,0,0,0,0|3,0,0]=4 583 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [0,1,0,0,0,0|3,0,0]=4 584 B11R0.142 CSCCOCC(N)C(=O)NN 34a_100016989258_100000212216 [0,1,0,0,0,0|3,0,0]=4 585 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,0,0,1,0,0|3,0,0]=4 587 B11R1.35 C[C@H](NC1CCOC1)C(=O)O 269956a_100000743915_100000731011 [0,0,0,1,0,0|3,0,0]=4 588 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,0,0,1,0,0|3,0,0]=4 589 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,0,0,1,0,0|3,0,0]=4 590 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,0,0,1,0,0|3,0,0]=4 591 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,0,0,1,0,0|3,0,0]=4 592 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,0,0,1,0,0|3,0,0]=4 593 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,0,0,1,0,0|3,0,0]=4 594 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [0,0,0,1,0,0|3,0,0]=4 595 B11R1.211 COCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000766300 [0,0,0,1,0,0|3,0,0]=4 596 B11R1.211 CSCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011218213 [0,0,0,1,0,0|3,0,0]=4 597 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,0,0,1,0,0|2,0,0]=3 598 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,0,0,1,0,0|2,0,0]=3 599 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,0,0,1,0,0|1,0,0]=2 600 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,0,0,1,0,0|3,0,0]=4 601 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,0,0,1,0,0|3,0,0]=4 602 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,0,0,1,0,0|2,0,0]=3 603 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,0,0,1,0,0|2,0,0]=3 604 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,0,0,1,0,0|1,0,0]=2 605 B11R1.332 CC(CNC1CCC1)C(=O)O 269956a_100000749485_100000749161 [0,0,0,1,0,0|3,0,0]=4 606 B11R1.332 CC(CNC1COC1)C(=O)O 269956a_100000749485_100009818527 [0,0,0,1,0,0|3,0,0]=4 607 B11R1.332 CC(OCC1CNC1)C(=O)N 34a_100016987283_100000702099 [0,0,0,1,0,0|3,0,0]=4 608 B11R1.332 C[C@H](NCC1CCC1)C(=O)O 269956a_100000743915_100000763275 [0,0,0,1,0,0|3,0,0]=4 609 B11R1.332 C[C@H](NCC1COC1)C(=O)O 269956a_100000743915_100010264016 [0,0,0,1,0,0|3,0,0]=4 610 B11R1.332 NC(=O)C(F)OCC1CNC1 34a_100016987283_100009813875 [0,0,0,1,0,0|3,0,0]=4 611 B11R1.332 NC(=O)[C@@H](N)COC1CCC1 34a_100000729942_100000749161 [0,0,0,1,0,0|3,0,0]=4 612 B11R1.332 NC(=O)[C@@H](N)COC1COC1 34a_100000729942_100009818527 [0,0,0,1,0,0|3,0,0]=4 613 B11R1.332 O=C(O)C(F)CNC1CCC1 269956a_100000084737_100000749161 [0,0,0,1,0,0|3,0,0]=4 614 B11R1.332 O=C(O)C(F)CNC1COC1 269956a_100000084737_100009818527 [0,0,0,1,0,0|3,0,0]=4 615 B11R1.332 O=C([O-])C(F)OCC1CNC1 34a_100016987283_100020610796 [0,0,0,1,0,0|2,0,1]=4 616 B11R1.333 CC(CNCC1CC1)C(=O)O 269956a_100000749485_100000742324 [0,0,0,1,0,0|3,0,0]=4 617 B11R1.333 CC(CNCC1CO1)C(=O)O 269956a_100000749485_102125554688 [0,0,0,1,0,0|3,0,0]=4 618 B11R1.333 CC(CNCC1CS1)C(=O)O 269956a_100000749485_100000031435 [0,0,0,1,0,0|3,0,0]=4 619 B11R1.333 CC(CNC[C@@H]1CO1)C(=O)O 269956a_100000749485_100000745022 [0,0,0,1,0,0|3,0,0]=4 620 B11R1.333 C[C@H](NCCC1CC1)C(=O)O 269956a_100000743915_100000694398 [0,0,0,1,0,0|3,0,0]=4 621 B11R1.333 C[C@H](NCCC1CO1)C(=O)O 269956a_100000743915_100000732470 [0,0,0,1,0,0|3,0,0]=4 622 B11R1.333 NC(=O)[C@@H](N)COCC1CC1 34a_100000729942_100000742324 [0,0,0,1,0,0|3,0,0]=4 623 B11R1.333 NC(=O)[C@@H](N)COCC1CO1 34a_100000729942_102125554688 [0,0,0,1,0,0|3,0,0]=4 624 B11R1.333 O=C(O)C(F)CNCC1CC1 269956a_100000084737_100000742324 [0,0,0,1,0,0|3,0,0]=4 625 B11R1.333 O=C(O)C(F)CNCC1CO1 269956a_100000084737_102125554688 [0,0,0,1,0,0|3,0,0]=4 626 B11R1.333 O=C(O)C(F)CNCC1CS1 269956a_100000084737_100000031435 [0,0,0,1,0,0|3,0,0]=4 627 B11R1.333 O=C(O)C(F)CNC[C@@H]1CO1 269956a_100000084737_100000745022 [0,0,0,1,0,0|3,0,0]=4 628 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,0,0,1,0,0|3,0,0]=4 629 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,0,0,1,0,0|1,0,0]=2 630 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,0,0,1,0,0|1,0,0]=2 631 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,0,0,0,0,1|3,0,0]=4 632 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,0,0,0,0,1|3,0,0]=4 633 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,0,0,0,0,1|3,0,0]=4 634 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,0,0,0,0,1|3,0,0]=4 635 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,0,0,0,0,1|3,0,0]=4 636 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,0,0,0,0,1|3,0,0]=4 637 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [0,0,0,0,0,1|3,0,0]=4 638 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [0,0,0,0,0,1|3,0,0]=4 639 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [0,0,0,0,0,1|3,0,0]=4 640 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [2,0,0,0,0,0|1,0,1]=4 641 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [2,0,0,0,0,0|1,0,1]=4 642 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [2,0,0,0,0,0|1,0,1]=4 643 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,0]=3 644 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,0]=3 645 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,0]=3 646 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|2,0,0]=4 647 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|2,0,0]=4 648 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|2,0,0]=4 649 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|2,0,0]=4 650 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|2,0,0]=4 651 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|2,0,0]=4 652 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|2,0,0]=4 653 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|2,0,0]=4 654 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|2,0,0]=4 655 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [2,0,0,0,0,0|2,0,0]=4 656 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,1]=4 657 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,1]=4 658 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,1]=4 659 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,1]=4 660 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,1]=4 661 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|2,0,0]=4 662 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|2,0,0]=4 663 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|2,0,0]=4 664 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|2,0,0]=4 665 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|2,0,0]=4 666 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|2,0,0]=4 667 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|2,0,0]=4 668 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|2,0,0]=4 669 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|2,0,0]=4 670 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|2,0,0]=4 671 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [2,0,0,0,0,0|1,0,1]=4 672 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [2,0,0,0,0,0|1,0,1]=4 673 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|0,0,0]=2 674 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|0,0,0]=2 675 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|1,0,1]=4 676 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|1,0,1]=4 677 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|1,0,1]=4 678 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|0,0,1]=3 679 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|0,0,1]=3 680 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|0,0,1]=3 681 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|0,0,1]=3 682 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|0,0,1]=3 683 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 684 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|2,0,0]=4 685 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 686 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|2,0,0]=4 687 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [2,0,0,0,0,0|1,0,0]=3 688 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [2,0,0,0,0,0|1,0,1]=4 689 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,1]=4 690 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 691 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 692 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [2,0,0,0,0,0|2,0,0]=4 693 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [2,0,0,0,0,0|2,0,0]=4 694 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [2,0,0,0,0,0|2,0,0]=4 695 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [2,0,0,0,0,0|2,0,0]=4 696 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [2,0,0,0,0,0|2,0,0]=4 697 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [2,0,0,0,0,0|2,0,0]=4 698 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,0]=3 699 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,0]=3 700 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,1]=4 701 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,1]=4 702 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [2,0,0,0,0,0|2,0,0]=4 703 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [2,0,0,0,0,0|2,0,0]=4 704 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [2,0,0,0,0,0|2,0,0]=4 705 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [2,0,0,0,0,0|2,0,0]=4 706 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [2,0,0,0,0,0|2,0,0]=4 707 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|0,0,1]=3 708 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|0,0,1]=3 709 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,0]=3 710 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,0]=3 711 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,1]=4 712 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,1]=4 713 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|2,0,0]=4 714 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|2,0,0]=4 715 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|2,0,0]=4 716 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|2,0,0]=4 717 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|2,0,0]=4 718 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 719 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,0]=3 720 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,0]=3 721 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,0]=3 722 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 723 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 724 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 725 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|2,0,0]=4 726 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 727 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 728 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 729 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|1,0,0]=3 730 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|2,0,0]=4 731 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|2,0,0]=4 732 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|2,0,0]=4 733 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 734 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 735 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|2,0,0]=4 736 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|1,0,1]=4 737 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|2,0,0]=4 738 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 739 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 740 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|2,0,0]=4 741 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|1,0,1]=4 742 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|1,0,1]=4 743 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [2,0,0,0,0,0|2,0,0]=4 744 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|2,0,0]=4 745 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 746 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 747 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 748 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 749 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 750 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|2,0,0]=4 751 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|2,0,0]=4 752 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 753 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 754 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 755 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|2,0,0]=4 756 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 757 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|2,0,0]=4 758 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 759 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 760 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [2,0,0,0,0,0|2,0,0]=4 761 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|2,0,0]=4 762 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|2,0,0]=4 763 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 764 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 765 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [2,0,0,0,0,0|1,0,1]=4 766 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [2,0,0,0,0,0|1,0,1]=4 767 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [2,0,0,0,0,0|1,0,1]=4 768 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,0]=3 769 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,0]=3 770 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|0,0,1]=3 771 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [2,0,0,0,0,0|1,0,1]=4 772 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [2,0,0,0,0,0|1,0,1]=4 773 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [2,0,0,0,0,0|1,0,1]=4 774 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 775 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|2,0,0]=4 776 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|2,0,0]=4 777 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 778 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|2,0,0]=4 779 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 780 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [2,0,0,0,0,0|1,0,1]=4 781 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [2,0,0,0,0,0|1,0,1]=4 782 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [2,0,0,0,0,0|1,0,1]=4 783 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [2,0,0,0,0,0|1,0,0]=3 784 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|2,0,0]=4 785 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|2,0,0]=4 786 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|1,0,1]=4 787 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|1,0,1]=4 788 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [2,0,0,0,0,0|2,0,0]=4 789 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|2,0,0]=4 790 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|2,0,0]=4 791 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [2,0,0,0,0,0|2,0,0]=4 792 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [2,0,0,0,0,0|2,0,0]=4 793 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [2,0,0,0,0,0|1,0,1]=4 794 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [2,0,0,0,0,0|2,0,0]=4 795 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [2,0,0,0,0,0|2,0,0]=4 796 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|2,0,0]=4 797 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|2,0,0]=4 798 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|0,0,1]=3 799 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [2,0,0,0,0,0|1,0,0]=3 800 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|1,0,1]=4 801 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|1,0,1]=4 802 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [2,0,0,0,0,0|2,0,0]=4 803 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [2,0,0,0,0,0|2,0,0]=4 804 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [2,0,0,0,0,0|2,0,0]=4 805 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [2,0,0,0,0,0|2,0,0]=4 806 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [2,0,0,0,0,0|2,0,0]=4 807 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [2,0,0,0,0,0|2,0,0]=4 808 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [2,0,0,0,0,0|2,0,0]=4 809 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [2,0,0,0,0,0|2,0,0]=4 810 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [2,0,0,0,0,0|2,0,0]=4 811 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [2,0,0,0,0,0|2,0,0]=4 812 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [1,1,0,0,0,0|2,0,0]=4 813 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [1,1,0,0,0,0|2,0,0]=4 814 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [1,1,0,0,0,0|2,0,0]=4 815 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [1,1,0,0,0,0|2,0,0]=4 816 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [1,1,0,0,0,0|2,0,0]=4 817 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [1,1,0,0,0,0|1,0,1]=4 818 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [1,1,0,0,0,0|2,0,0]=4 819 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,1,0,0,0,0|1,0,1]=4 820 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|2,0,0]=4 821 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,1,0,0,0,0|1,0,0]=3 823 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,1,0,0,0,0|1,0,0]=3 824 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [1,1,0,0,0,0|2,0,0]=4 825 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,1,0,0,0,0|2,0,0]=4 826 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,1,0,0,0,0|2,0,0]=4 827 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|2,0,0]=4 828 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|2,0,0]=4 829 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|2,0,0]=4 831 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|2,0,0]=4 832 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|2,0,0]=4 833 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|2,0,0]=4 834 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,1,0,0,0,0|2,0,0]=4 835 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,1,0,0,0,0|2,0,0]=4 836 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|1,0,0]=3 837 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|2,0,0]=4 838 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|2,0,0]=4 839 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|2,0,0]=4 840 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|1,0,1]=4 841 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|2,0,0]=4 842 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|2,0,0]=4 843 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,1,0,0,0,0|1,0,1]=4 844 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,1,0,0,0,0|1,0,1]=4 845 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,1,0,0,0,0|2,0,0]=4 846 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|2,0,0]=4 847 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|2,0,0]=4 848 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|2,0,0]=4 849 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|2,0,0]=4 850 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,1,0,0,0,0|2,0,0]=4 851 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,1,0,0,0,0|2,0,0]=4 852 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,1,0,0,0,0|2,0,0]=4 853 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,1,0,0,0,0|2,0,0]=4 854 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|2,0,0]=4 855 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|2,0,0]=4 856 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,1,0,0,0,0|2,0,0]=4 857 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,1,0,0,0,0|2,0,0]=4 858 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|2,0,0]=4 859 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,1,0,0,0,0|2,0,0]=4 860 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,1,0,0,0,0|2,0,0]=4 861 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|2,0,0]=4 862 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|2,0,0]=4 863 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|2,0,0]=4 864 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|2,0,0]=4 865 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,1,0,0,0,0|2,0,0]=4 866 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,1,0,0,0,0|2,0,0]=4 867 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,1,0,0,0,0|2,0,0]=4 868 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|2,0,0]=4 869 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|2,0,0]=4 870 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,1,0,0,0,0|2,0,0]=4 871 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,1,0,0,0,0|2,0,0]=4 872 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,1,0,0,0,0|2,0,0]=4 873 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,1,0,0,0,0|2,0,0]=4 874 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|2,0,0]=4 875 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,1,0,0,0,0|2,0,0]=4 876 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,1,0,0,0,0|2,0,0]=4 877 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,1,0,0,0,0|2,0,0]=4 878 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|2,0,0]=4 879 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|2,0,0]=4 880 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [1,1,0,0,0,0|1,0,1]=4 881 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,1,0,0,0,0|1,0,0]=3 882 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,1,0,0,0,0|2,0,0]=4 883 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,1,0,0,0,0|2,0,0]=4 884 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,1,0,0,0,0|2,0,0]=4 885 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,1,0,0,0,0|2,0,0]=4 886 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,1,0,0,0,0|2,0,0]=4 887 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,1,0,0,0,0|2,0,0]=4 888 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,1,0,0,0,0|1,0,1]=4 889 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,1,0,0,0,0|2,0,0]=4 890 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,1,0,0,0,0|2,0,0]=4 891 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,1,0,0,0,0|2,0,0]=4 892 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [1,1,0,0,0,0|1,0,1]=4 893 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [1,1,0,0,0,0|1,0,1]=4 894 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [1,1,0,0,0,0|1,0,1]=4 895 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,1,0,0,0,0|1,0,0]=3 896 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,1,0,0,0,0|1,0,0]=3 897 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,1,0,0,0,0|1,0,0]=3 898 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,1,0,0,0,0|1,0,0]=3 899 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,1,0,0,0,0|1,0,0]=3 900 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,1,0,0,0,0|1,0,0]=3 901 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [1,1,0,0,0,0|1,0,1]=4 902 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [1,1,0,0,0,0|2,0,0]=4 903 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,1,0,0,0,0|2,0,0]=4 904 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,1,0,0,0,0|2,0,0]=4 905 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,1,0,0,0,0|2,0,0]=4 906 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|2,0,0]=4 907 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 908 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 909 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 910 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,1,0,0,0,0|2,0,0]=4 911 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|2,0,0]=4 912 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,1,0,0,0,0|2,0,0]=4 913 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,1,0,0,0,0|1,0,0]=3 914 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,1,0,0,0,0|2,0,0]=4 915 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,1,0,0,0,0|2,0,0]=4 916 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,1,0,0,0,0|1,0,1]=4 917 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,1,0,0,0,0|2,0,0]=4 918 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,1,0,0,0,0|2,0,0]=4 919 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,1,0,0,0,0|1,0,1]=4 920 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,1,0,0,0,0|1,0,1]=4 921 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,1,0,0,0,0|2,0,0]=4 922 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [1,1,0,0,0,0|2,0,0]=4 923 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,1,0,0,0,0|2,0,0]=4 924 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,1,0,0,0,0|2,0,0]=4 925 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,1,0,0,0,0|2,0,0]=4 926 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,1,0,0,0,0|2,0,0]=4 927 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,1,0,0,0,0|2,0,0]=4 928 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,1,0,0,0,0|2,0,0]=4 929 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,1,0,0,0,0|2,0,0]=4 930 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,1,0,0,0,0|2,0,0]=4 931 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,1,0,0,0,0|2,0,0]=4 932 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,1,0,0,0,0|2,0,0]=4 933 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,1,0,0,0,0|2,0,0]=4 934 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,1,0,0,0,0|2,0,0]=4 935 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,1,0,0,0,0|2,0,0]=4 936 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,1,0,0,0,0|2,0,0]=4 937 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,1,0,0,0,0|2,0,0]=4 938 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [1,1,0,0,0,0|2,0,0]=4 939 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,1,0,0,0,0|2,0,0]=4 940 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,1,0,0,0,0|2,0,0]=4 941 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,1,0,0,0,0|2,0,0]=4 942 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,1,0,0,0,0|2,0,0]=4 943 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [1,1,0,0,0,0|2,0,0]=4 944 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,1,0,0,0,0|2,0,0]=4 945 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,1,0,0,0,0|2,0,0]=4 946 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,1,0,0,0,0|2,0,0]=4 947 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,1,0,0,0,0|2,0,0]=4 948 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 949 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 950 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,1,0,0,0,0|1,0,1]=4 951 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,1,0,0,0,0|2,0,0]=4 952 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,1,0,0,0,0|2,0,0]=4 953 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,1,0,0,0,0|2,0,0]=4 954 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,1,0,0,0,0|2,0,0]=4 955 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,1,0,0,0,0|2,0,0]=4 956 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,1,0,0,0,0|2,0,0]=4 957 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 958 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,1,0,0,0,0|2,0,0]=4 959 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 960 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 961 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 962 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,1,0,0,0,0|2,0,0]=4 963 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,1,0,0,0,0|2,0,0]=4 964 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,1,0,0,0,0|2,0,0]=4 965 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,1,0,0,0,0|2,0,0]=4 966 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,1,0,0,0,0|2,0,0]=4 967 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [1,1,0,0,0,0|2,0,0]=4 968 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,1,0,0,0,0|2,0,0]=4 969 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,1,0,0,0,0|2,0,0]=4 970 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,1,0,0,0,0|2,0,0]=4 971 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [1,1,0,0,0,0|2,0,0]=4 972 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,1,0,0,0,0|2,0,0]=4 973 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,1,0,0,0,0|2,0,0]=4 974 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,1,0,0,0,0|2,0,0]=4 975 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,1,0,0,0,0|2,0,0]=4 976 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,1,0,0,0,0|2,0,0]=4 977 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|2,0,0]=4 978 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,1,0,0,0,0|1,0,1]=4 979 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,1,0,0,0,0|2,0,0]=4 980 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|2,0,0]=4 981 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,1,0,0,0,0|2,0,0]=4 982 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,1,0,0,0,0|2,0,0]=4 983 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [1,1,0,0,0,0|2,0,0]=4 984 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [1,1,0,0,0,0|2,0,0]=4 985 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [1,1,0,0,0,0|2,0,0]=4 986 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [1,1,0,0,0,0|1,0,1]=4 987 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [1,1,0,0,0,0|1,0,1]=4 988 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [1,1,0,0,0,0|1,0,1]=4 989 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [1,1,0,0,0,0|1,0,1]=4 990 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,1,0,0,0,0|2,0,0]=4 991 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [1,1,0,0,0,0|1,0,1]=4 992 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [1,1,0,0,0,0|1,0,1]=4 993 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [1,1,0,0,0,0|1,0,1]=4 994 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [1,1,0,0,0,0|1,0,1]=4 995 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|2,0,0]=4 996 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [1,1,0,0,0,0|1,0,1]=4 997 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,1,0,0,0,0|2,0,0]=4 998 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|2,0,0]=4 999 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|2,0,0]=4 1000 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|2,0,0]=4 1001 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|1,0,0]=3 1002 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,1,0,0,0,0|2,0,0]=4 1003 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,1,0,0,0,0|2,0,0]=4 1004 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,1,0,0,0,0|2,0,0]=4 1005 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,1,0,0,0,0|2,0,0]=4 1006 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,1,0,0,0,0|2,0,0]=4 1007 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,1,0,0,0,0|2,0,0]=4 1008 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,1,0,0,0,0|2,0,0]=4 1009 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,1,0,0,0,0|2,0,0]=4 1010 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,1,0,0,0,0|2,0,0]=4 1011 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,1,0,0,0,0|2,0,0]=4 1012 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,1,0,0,0,0|2,0,0]=4 1013 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,1,0,0,0,0|2,0,0]=4 1014 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,1,0,0,0,0|2,0,0]=4 1015 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,1,0,0,0,0|2,0,0]=4 1016 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,1,0,0,0,0|2,0,0]=4 1017 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,1,0,0,0,0|2,0,0]=4 1018 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,1,0,0,0,0|2,0,0]=4 1019 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,1,0,0,0,0|2,0,0]=4 1020 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,1,0,0,0,0|2,0,0]=4 1021 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,1,0,0,0,0|2,0,0]=4 1022 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,1,0,0,0,0|2,0,0]=4 1023 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,1,0,0,0,0|2,0,0]=4 1024 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,1,0,0,0,0|2,0,0]=4 1025 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,1,0,0,0,0|2,0,0]=4 1026 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,1,0,0,0,0|2,0,0]=4 1027 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,1,0,0,0,0|2,0,0]=4 1028 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,1,0,0,0,0|2,0,0]=4 1029 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,1,0,0,0,0|2,0,0]=4 1030 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 1031 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 1032 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 1033 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,1,0,0,0,0|0,0,0]=2 1034 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,1,0,0,0,0|0,0,0]=2 1035 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,1,0,0,0,0|0,0,0]=2 1036 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [1,1,0,0,0,0|2,0,0]=4 1037 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [1,1,0,0,0,0|1,0,0]=3 1038 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,1,0,0,0,0|1,0,0]=3 1039 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,1,0,0,0,0|1,0,0]=3 1040 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,1,0,0,0,0|1,0,0]=3 1041 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,1,0,0,0,0|1,0,0]=3 1042 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,1,0,0,0,0|1,0,0]=3 1043 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,1,0,0,0,0|1,0,0]=3 1044 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [1,1,0,0,0,0|2,0,0]=4 1045 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [1,1,0,0,0,0|2,0,0]=4 1046 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [1,1,0,0,0,0|2,0,0]=4 1047 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [1,1,0,0,0,0|2,0,0]=4 1048 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [1,1,0,0,0,0|2,0,0]=4 1049 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [1,1,0,0,0,0|2,0,0]=4 1050 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [1,1,0,0,0,0|2,0,0]=4 1051 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [1,1,0,0,0,0|2,0,0]=4 1052 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [1,1,0,0,0,0|2,0,0]=4 1053 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [1,1,0,0,0,0|2,0,0]=4 1054 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [1,1,0,0,0,0|2,0,0]=4 1055 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,1,0,0,0,0|1,0,0]=3 1056 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,1,0,0,0,0|1,0,0]=3 1057 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,1,0,0,0,0|1,0,0]=3 1058 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [1,1,0,0,0,0|2,0,0]=4 1059 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [1,1,0,0,0,0|2,0,0]=4 1060 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [1,1,0,0,0,0|2,0,0]=4 1061 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [1,1,0,0,0,0|2,0,0]=4 1062 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [1,1,0,0,0,0|2,0,0]=4 1063 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [1,1,0,0,0,0|2,0,0]=4 1064 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [1,1,0,0,0,0|2,0,0]=4 1065 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [1,1,0,0,0,0|2,0,0]=4 1066 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [1,1,0,0,0,0|2,0,0]=4 1067 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [1,1,0,0,0,0|2,0,0]=4 1068 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [1,1,0,0,0,0|2,0,0]=4 1069 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [1,1,0,0,0,0|2,0,0]=4 1070 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,1,0,0,0,0|2,0,0]=4 1071 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|2,0,0]=4 1072 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|2,0,0]=4 1073 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|2,0,0]=4 1074 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,1,0,0,0,0|2,0,0]=4 1075 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [1,1,0,0,0,0|1,0,1]=4 1076 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [1,1,0,0,0,0|1,0,1]=4 1077 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,1,0,0,0,0|2,0,0]=4 1078 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|2,0,0]=4 1079 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|2,0,0]=4 1080 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,1,0,0,0,0|2,0,0]=4 1081 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [1,1,0,0,0,0|2,0,0]=4 1082 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [1,1,0,0,0,0|2,0,0]=4 1083 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [1,1,0,0,0,0|2,0,0]=4 1084 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [1,1,0,0,0,0|2,0,0]=4 1085 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [1,1,0,0,0,0|2,0,0]=4 1086 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [1,1,0,0,0,0|2,0,0]=4 1087 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|2,0,0]=4 1088 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|2,0,0]=4 1089 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,1,0,0,0,0|2,0,0]=4 1090 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [1,1,0,0,0,0|1,0,1]=4 1091 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [1,1,0,0,0,0|1,0,1]=4 1092 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,1,0,0,0,0|1,0,0]=3 1093 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,1,0,0,0,0|1,0,0]=3 1094 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [1,1,0,0,0,0|1,0,0]=3 1095 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [1,1,0,0,0,0|2,0,0]=4 1096 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [1,1,0,0,0,0|1,0,1]=4 1097 B10R0.97 CN(C)CCNOCC(=O)O 269956a_100000106656_100000755713 [1,1,0,0,0,0|2,0,0]=4 1098 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [1,1,0,0,0,0|2,0,0]=4 1099 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [1,1,0,0,0,0|2,0,0]=4 1100 B10R0.41 CNCCCOC(C=O)C=O 34a_100000213112_100000736813 [1,1,0,0,0,0|2,0,0]=4 1101 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [1,1,0,0,0,0|2,0,0]=4 1102 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [1,1,0,0,0,0|2,0,0]=4 1103 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [1,1,0,0,0,0|2,0,0]=4 1104 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [1,1,0,0,0,0|2,0,0]=4 1105 B10R0.81 CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210303 [1,1,0,0,0,0|2,0,0]=4 1106 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [1,1,0,0,0,0|2,0,0]=4 1107 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [1,1,0,0,0,0|2,0,0]=4 1108 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [1,1,0,0,0,0|2,0,0]=4 1109 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [1,1,0,0,0,0|2,0,0]=4 1110 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [1,1,0,0,0,0|2,0,0]=4 1111 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [1,1,0,0,0,0|2,0,0]=4 1112 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [1,1,0,0,0,0|2,0,0]=4 1113 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [1,1,0,0,0,0|2,0,0]=4 1114 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [1,1,0,0,0,0|2,0,0]=4 1115 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [1,1,0,0,0,0|2,0,0]=4 1116 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [1,1,0,0,0,0|2,0,0]=4 1117 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [1,1,0,0,0,0|2,0,0]=4 1118 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [1,1,0,0,0,0|2,0,0]=4 1119 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [1,1,0,0,0,0|2,0,0]=4 1120 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [1,1,0,0,0,0|2,0,0]=4 1121 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [1,1,0,0,0,0|2,0,0]=4 1122 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [1,1,0,0,0,0|2,0,0]=4 1123 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [1,1,0,0,0,0|2,0,0]=4 1124 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [1,1,0,0,0,0|2,0,0]=4 1125 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [1,1,0,0,0,0|2,0,0]=4 1126 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [1,1,0,0,0,0|2,0,0]=4 1127 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [1,1,0,0,0,0|2,0,0]=4 1128 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [1,1,0,0,0,0|2,0,0]=4 1129 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,1,0,0,0,1|2,0,0]=4 1130 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [0,1,0,0,0,1|2,0,0]=4 1131 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,1,0,0,0,1|2,0,0]=4 1132 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,1,0,0,0,1|2,0,0]=4 1133 B12R0.113 CNCCCOC(C)CC(=O)OC 34a_100000213112_100009817358 [0,1,0,0,0,1|2,0,0]=4 1134 B12R0.270 CN(C)CCCCN(C)CC(=O)O 269956a_100000746989_100000690147 [0,1,0,0,0,1|2,0,0]=4 1135 B12R0.270 CN(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000755713 [0,1,0,0,0,1|2,0,0]=4 1136 B12R0.86 C=C(C)CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000730704 [0,2,0,0,0,0|2,0,0]=4 1137 B12R0.86 COC(=O)C(C)COCCN(C)C 7a_100000749362_100000755713 [0,2,0,0,0,0|2,0,0]=4 1138 B12R0.86 COC(=O)C(C)CSCCN(C)C 62a_100000698445_100000755713 [0,2,0,0,0,0|2,0,0]=4 1139 B12R0.86 COC(=O)C(C)SCCCN(C)C 62a_100000211248_100000757444 [0,2,0,0,0,0|2,0,0]=4 1140 B12R0.86 COC(=O)[C@H](N)COCCC(C)C 34a_100000003586_100000210312 [0,2,0,0,0,0|2,0,0]=4 1141 B12R0.86 COC(=O)[C@H](N)COCCC(C)O 34a_100000003586_100012276601 [0,2,0,0,0,0|2,0,0]=4 1142 B12R0.186 CCN(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100015186262 [0,2,0,0,0,0|2,0,0]=4 1143 B12R0.186 CNC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000741757 [0,2,0,0,0,0|1,0,1]=4 1144 B12R0.186 CNC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000737683 [0,2,0,0,0,0|1,0,1]=4 1145 B12R0.186 CNC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000737683 [0,2,0,0,0,0|1,0,1]=4 1146 B12R0.186 CNC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012179268 [0,2,0,0,0,0|1,0,1]=4 1147 B12R0.238 C=C[C@H](NCCCN(C)C)C(=O)O 269956a_100016992060_100000757444 [0,2,0,0,0,0|2,0,0]=4 1148 B12R0.238 CC[C@@H](NCCCN(C)C)C(=O)O 269956a_100000747097_100000757444 [0,2,0,0,0,0|2,0,0]=4 1149 B12R0.238 CN(C)CCCC[C@H](N[13CH3])C(=O)O 269956a_200015235947_200025704644 [0,2,0,0,0,0|0,0,0]=2 1150 B12R0.238 CN(C)CCCNC(CO)C(=O)O 269956a_100000187304_100000757444 [0,2,0,0,0,0|2,0,0]=4 1151 B12R0.238 CN[C@@H](CCCCN(C)C)C(=O)O 269956a_200015235947_200000210301 [0,2,0,0,0,0|0,0,0]=2 1152 B12R0.686 CC(C(=O)O)N(C)CCCN(C)C 269956a_100000749554_100000757444 [0,2,0,0,0,0|2,0,0]=4 1153 B12R0.687 CC(CN(C)C)NCC(C)C(=O)O 269956a_100000749485_100020606517 [0,2,0,0,0,0|2,0,0]=4 1154 B12R0.687 CC(CN(C)C)NCC(F)C(=O)O 269956a_100000084737_100020606517 [0,2,0,0,0,0|2,0,0]=4 1155 B12R0.687 CC(CN[C@@H](C)C(=O)O)CN(C)C 269956a_100000743915_100015348159 [0,2,0,0,0,0|2,0,0]=4 1156 B12R0.692 CN(C)CCNCC(C)(C)C(=O)O 269956a_100000693527_100000755713 [0,2,0,0,0,0|2,0,0]=4 1157 B12R0.692 CN(C)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000755713 [0,2,0,0,0,0|2,0,0]=4 1158 B12R0.42 CC(=O)C(C)COCCCN(C)C 7a_100000032740_100000757444 [0,2,0,0,0,0|2,0,0]=4 1159 B12R0.42 CC(=O)C(C)SCCCCN(C)C 62a_100009814033_100000690147 [0,2,0,0,0,0|2,0,0]=4 1160 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,2,0,0,0,0|2,0,0]=4 1161 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,2,0,0,0,0|2,0,0]=4 1162 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,2,0,0,0,0|2,0,0]=4 1163 B12R0.42 CC(=O)CCCOC[C@H](N)C(=O)N 34a_100000729942_100000685027 [0,2,0,0,0,0|2,0,0]=4 1164 B12R0.42 CC(=O)NCCNCC(C)C(=O)O 269956a_100000749485_100000189650 [0,2,0,0,0,0|2,0,0]=4 1165 B12R0.42 CC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_100000189650 [0,2,0,0,0,0|2,0,0]=4 1166 B12R0.42 CC(C)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011216152 [0,2,0,0,0,0|2,0,0]=4 1167 B12R0.42 CC(C)CCCNCC(C)C(=O)O 269956a_100000749485_100011214892 [0,2,0,0,0,0|2,0,0]=4 1168 B12R0.42 CC(C)CCCNCC(F)C(=O)O 269956a_100000084737_100011214892 [0,2,0,0,0,0|2,0,0]=4 1169 B12R0.42 CC(C)CCCOC[C@H](N)C(=O)N 34a_100000729942_100011214892 [0,2,0,0,0,0|2,0,0]=4 1170 B12R0.42 CC(CNCCCN(C)C)C(=O)O 269956a_100000749485_100000757444 [0,2,0,0,0,0|1,0,0]=3 1171 B12R0.42 CC(O)CCCNCC(C)C(=O)O 269956a_100000749485_200000718107 [0,2,0,0,0,0|2,0,0]=4 1172 B12R0.42 CC(O)CCCNCC(F)C(=O)O 269956a_100000084737_200000718107 [0,2,0,0,0,0|2,0,0]=4 1173 B12R0.42 CC(O)CCCOC[C@H](N)C(=O)N 34a_100000729942_200000718107 [0,2,0,0,0,0|2,0,0]=4 1174 B12R0.42 CC(SCCCCN(C)C)C(=O)N 62a_100000702099_100000690147 [0,2,0,0,0,0|2,0,0]=4 1175 B12R0.42 CN(C)CCCCSC(F)C(=O)N 62a_100009813875_100000690147 [0,2,0,0,0,0|2,0,0]=4 1176 B12R0.42 CN(C)CCCCSC(F)C(=O)[O-] 62a_100020610796_100000690147 [0,2,0,0,0,0|1,0,1]=4 1177 B12R0.42 CN(C)CCCNCC(F)C(=O)O 269956a_100000084737_100000757444 [0,2,0,0,0,0|1,0,0]=3 1178 B12R0.42 C[C@H](NCCCCN(C)C)C(=O)O 269956a_100000743915_100000690147 [0,2,0,0,0,0|1,0,0]=3 1179 B12R0.48 CCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011215066 [0,2,0,0,0,0|2,0,0]=4 1180 B12R0.48 CCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011215066 [0,2,0,0,0,0|2,0,0]=4 1181 B12R0.48 CCCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_200011215066 [0,2,0,0,0,0|2,0,0]=4 1182 B12R0.49 C#CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000695029 [0,2,0,0,0,0|1,0,1]=4 1183 B12R0.49 C=C(COCCCNC)C(=O)OC 34a_100000213112_100009813391 [0,2,0,0,0,0|1,0,1]=4 1184 B12R0.49 C=CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757094 [0,2,0,0,0,0|1,0,1]=4 1185 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|2,0,0]=4 1186 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,2,0,0,0,0|2,0,0]=4 1187 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,2,0,0,0,0|2,0,0]=4 1188 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,2,0,0,0,0|2,0,0]=4 1189 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,2,0,0,0,0|2,0,0]=4 1190 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,2,0,0,0,0|2,0,0]=4 1191 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,2,0,0,0,0|2,0,0]=4 1192 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,2,0,0,0,0|2,0,0]=4 1193 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,2,0,0,0,0|2,0,0]=4 1194 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,2,0,0,0,0|2,0,0]=4 1195 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,2,0,0,0,0|2,0,0]=4 1196 B12R0.49 CCCCCOCC(N)C(=O)NN 34a_100016989258_100000718602 [0,2,0,0,0,0|2,0,0]=4 1197 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,2,0,0,0,0|1,0,0]=3 1198 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,2,0,0,0,0|2,0,0]=4 1199 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,2,0,0,0,0|2,0,0]=4 1200 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,2,0,0,0,0|2,0,0]=4 1201 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,2,0,0,0,0|2,0,0]=4 1202 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,2,0,0,0,0|2,0,0]=4 1203 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,2,0,0,0,0|2,0,0]=4 1204 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,2,0,0,0,0|2,0,0]=4 1205 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,2,0,0,0,0|2,0,0]=4 1206 B12R0.49 CCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210147 [0,2,0,0,0,0|2,0,0]=4 1207 B12R0.49 CCSCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757381 [0,2,0,0,0,0|2,0,0]=4 1208 B12R0.49 CNCCCOCC(=O)C(=O)OC 34a_100000213112_100011610305 [0,2,0,0,0,0|1,0,1]=4 1209 B12R0.49 CNCCCOCC(C)C(=O)OC 34a_100000213112_100000698445 [0,2,0,0,0,0|1,0,0]=3 1210 B12R0.49 COC(=O)C(C)CCNCCSC 2230a_100020590264_100000034942 [0,2,0,0,0,0|2,0,0]=4 1211 B12R0.49 COC(=O)C(C)CCOCCSC 34a_100000230434_100000034942 [0,2,0,0,0,0|2,0,0]=4 1212 B12R0.49 COC(=O)C(C)CCOCCSC 7a_100000230434_100000034942 [0,2,0,0,0,0|2,0,0]=4 1213 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000034942_100000751147 [0,2,0,0,0,0|2,0,0]=4 1214 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000212216_100000034942 [0,2,0,0,0,0|2,0,0]=4 1215 B12R0.49 COC(=O)C(C)COCCCSC 34a_100000690336_100000698445 [0,2,0,0,0,0|2,0,0]=4 1216 B12R0.49 COC(=O)C(C)OCCCCSC 34a_100011217163_100000211248 [0,2,0,0,0,0|2,0,0]=4 1217 B12R0.49 COC(=O)C(C)OCCCCSC 7a_100011217163_100000211248 [0,2,0,0,0,0|2,0,0]=4 1218 B12R0.49 COC(=O)[C@H](N)COCCCCF 34a_100000003586_100000729493 [0,2,0,0,0,0|2,0,0]=4 1219 B12R0.49 COC(=O)[C@H](N)COCCCCO 34a_100000003586_100011216708 [0,2,0,0,0,0|2,0,0]=4 1220 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100000740925_100000211248 [0,2,0,0,0,0|2,0,0]=4 1221 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100011215400_100000755781 [0,2,0,0,0,0|2,0,0]=4 1222 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000211248_100000730899 [0,2,0,0,0,0|2,0,0]=4 1223 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000730899_100000211248 [0,2,0,0,0,0|2,0,0]=4 1224 B12R0.49 COCCCNCC(C)C(=O)OC 34a_100150723488_100000698445 [0,2,0,0,0,0|2,0,0]=4 1225 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000740835_100000698445 [0,2,0,0,0,0|2,0,0]=4 1226 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000749362_100000740836 [0,2,0,0,0,0|2,0,0]=4 1227 B12R0.49 COCCCOCC(C)C(=O)OC 7a_100000749362_100000740836 [0,2,0,0,0,0|2,0,0]=4 1228 B12R0.49 COCCCOCC(F)C(=O)OC 34a_200009849844_100000740836 [0,2,0,0,0,0|2,0,0]=4 1229 B12R0.49 COCCCOCC(N)C(=O)NN 34a_100016989258_100000740836 [0,2,0,0,0,0|2,0,0]=4 1230 B12R0.49 COCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000740836 [0,2,0,0,0,0|1,0,0]=3 1231 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000698445_100000709357 [0,2,0,0,0,0|2,0,0]=4 1232 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000709357_100000698445 [0,2,0,0,0,0|2,0,0]=4 1233 B12R0.49 COCCNCCC(C)C(=O)OC 2230a_100000209980_100000034942 [0,2,0,0,0,0|2,0,0]=4 1234 B12R0.49 COCCOCCC(C)C(=O)OC 34a_100000210237_100000034942 [0,2,0,0,0,0|2,0,0]=4 1235 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000034942_100000233755 [0,2,0,0,0,0|2,0,0]=4 1236 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000233755_100000034942 [0,2,0,0,0,0|2,0,0]=4 1237 B12R0.58 CCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210326 [0,2,0,0,0,0|2,0,0]=4 1238 B12R0.58 CCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210326 [0,2,0,0,0,0|2,0,0]=4 1239 B12R0.58 CNCCCOCC(C)(C)C(=O)N 34a_100000213112_200009895572 [0,2,0,0,0,0|2,0,0]=4 1240 B12R0.58 COCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000740836 [0,2,0,0,0,0|2,0,0]=4 1241 B12R0.58 COCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000740836 [0,2,0,0,0,0|2,0,0]=4 1242 B12R0.123 CCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011218191 [0,2,0,0,0,0|2,0,0]=4 1243 B12R0.201 C=C[C@H](NCCCCCC)C(=O)O 269956a_100016992060_100000210757 [0,2,0,0,0,0|2,0,0]=4 1244 B12R0.201 C=C[C@H](NCCCCOC)C(=O)O 269956a_100016992060_100000730899 [0,2,0,0,0,0|2,0,0]=4 1245 B12R0.201 CCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210757 [0,2,0,0,0,0|2,0,0]=4 1246 B12R0.201 CCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210757 [0,2,0,0,0,0|2,0,0]=4 1247 B12R0.201 CC[C@@H](NCCCCOC)C(=O)O 269956a_100000747097_100000730899 [0,2,0,0,0,0|2,0,0]=4 1248 B12R0.201 COCCCCNC(CO)C(=O)O 269956a_100000187304_100000730899 [0,2,0,0,0,0|2,0,0]=4 1249 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,2,0,0,0,0|2,0,0]=4 1250 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,2,0,0,0,0|2,0,0]=4 1251 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,2,0,0,0,0|2,0,0]=4 1252 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,2,0,0,0,0|2,0,0]=4 1253 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,2,0,0,0,0|2,0,0]=4 1254 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,2,0,0,0,0|2,0,0]=4 1255 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,2,0,0,0,0|2,0,0]=4 1256 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,2,0,0,0,0|2,0,0]=4 1257 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [0,2,0,0,0,0|2,0,0]=4 1258 B12R0.251 CCCCOCOC[C@H](N)C(=O)N 34a_100000729942_100011995733 [0,2,0,0,0,0|2,0,0]=4 1259 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [0,2,0,0,0,0|2,0,0]=4 1260 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [0,2,0,0,0,0|2,0,0]=4 1261 B12R0.251 CCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100011215938 [0,2,0,0,0,0|2,0,0]=4 1262 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [0,2,0,0,0,0|2,0,0]=4 1263 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [0,2,0,0,0,0|2,0,0]=4 1264 B12R0.251 CCOCCCOC[C@H](N)C(=O)N 34a_100000729942_100012232248 [0,2,0,0,0,0|2,0,0]=4 1265 B12R0.251 CNCCCCCOC(C)C(=O)N 34a_100000722520_100000702099 [0,2,0,0,0,0|2,0,0]=4 1266 B12R0.251 CNCCCCCOC(F)C(=O)N 34a_100000722520_100009813875 [0,2,0,0,0,0|2,0,0]=4 1267 B12R0.251 CNCCCCCOC(F)C(=O)[O-] 34a_100000722520_100020610796 [0,2,0,0,0,0|1,0,1]=4 1268 B12R0.251 CNCCOCCOC(C)C(=O)N 34a_100000228057_100000702099 [0,2,0,0,0,0|2,0,0]=4 1269 B12R0.251 CNCCOCCOC(F)C(=O)N 34a_100000228057_100009813875 [0,2,0,0,0,0|2,0,0]=4 1270 B12R0.251 CNCCOCCOC(F)C(=O)[O-] 34a_100000228057_100020610796 [0,2,0,0,0,0|1,0,1]=4 1271 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,2,0,0,0,0|2,0,0]=4 1272 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,2,0,0,0,0|2,0,0]=4 1273 B12R0.251 COCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000755781 [0,2,0,0,0,0|2,0,0]=4 1274 B12R0.251 COCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000695917 [0,2,0,0,0,0|2,0,0]=4 1275 B12R0.251 COCCOCNCC(C)C(=O)O 269956a_100000749485_100000231047 [0,2,0,0,0,0|2,0,0]=4 1276 B12R0.251 COCCOCNCC(F)C(=O)O 269956a_100000084737_100000231047 [0,2,0,0,0,0|2,0,0]=4 1277 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,2,0,0,0,0|2,0,0]=4 1278 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,2,0,0,0,0|2,0,0]=4 1279 B12R0.251 NC(=O)[C@@H](N)COCCCCCF 34a_100000729942_100000729378 [0,2,0,0,0,0|2,0,0]=4 1280 B12R0.251 NC(=O)[C@@H](N)COCCCCCO 34a_100000729942_100000746330 [0,2,0,0,0,0|2,0,0]=4 1281 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,2,0,0,0,0|2,0,0]=4 1282 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,2,0,0,0,0|2,0,0]=4 1283 B12R0.279 CCCC(C)CNCC(C)C(=O)O 269956a_100000749485_100011216630 [0,2,0,0,0,0|2,0,0]=4 1284 B12R0.279 CCCC(C)CNCC(F)C(=O)O 269956a_100000084737_100011216630 [0,2,0,0,0,0|2,0,0]=4 1285 B12R0.279 CCCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100011216630 [0,2,0,0,0,0|2,0,0]=4 1286 B12R0.279 COCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011215053 [0,2,0,0,0,0|2,0,0]=4 1287 B12R0.279 COCC(O)CNCC(F)C(=O)O 269956a_100000084737_100011215053 [0,2,0,0,0,0|2,0,0]=4 1288 B12R0.279 COCC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011215053 [0,2,0,0,0,0|2,0,0]=4 1289 B12R0.200 CCC(OCCCNC)C(=O)OC 34a_100000213112_100000235869 [0,2,0,0,0,0|2,0,0]=4 1290 B12R0.200 CCCCCCC(NC)C(=O)OC 2230a_106832991635_100009813864 [0,2,0,0,0,0|1,0,0]=3 1291 B12R0.200 CCCCCCC(NC)C(=O)OC 34a_100102657272_100009813864 [0,2,0,0,0,0|1,0,0]=3 1292 B12R0.200 CCCCCCC(NC)C(=O)OC 7a_106832991635_100009813864 [0,2,0,0,0,0|1,0,0]=3 1293 B12R0.200 CCCCCCC(OC)C(=O)OC 34a_100138415774_100009813864 [0,2,0,0,0,0|2,0,0]=4 1294 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_100009813864_200000210301 [0,2,0,0,0,0|2,0,0]=4 1295 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_200000210301_100009813864 [0,2,0,0,0,0|2,0,0]=4 1296 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_100009813864_200025704644 [0,2,0,0,0,0|2,0,0]=4 1297 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_200025704644_100009813864 [0,2,0,0,0,0|2,0,0]=4 1298 B12R0.200 CCCCCOC(CN)C(=O)OC 34a_100000695228_100000718602 [0,2,0,0,0,0|2,0,0]=4 1299 B12R0.200 CNCCCOC(C=O)C(=O)OC 34a_100000213112_100000046368 [0,2,0,0,0,0|2,0,0]=4 1300 B12R0.200 CNCCCOC(CO)C(=O)OC 34a_100000213112_100012276630 [0,2,0,0,0,0|2,0,0]=4 1301 B12R0.200 CNCCCOC(OC)C(=O)OC 34a_100000213112_100000101307 [0,2,0,0,0,0|2,0,0]=4 1302 B12R0.200 COCCCOC(CN)C(=O)OC 34a_100000695228_100000740836 [0,2,0,0,0,0|2,0,0]=4 1303 B12R0.156 CCC(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748023 [0,2,0,0,0,0|2,0,0]=4 1304 B12R0.156 CCC(O)COC[C@@H](N)C(=O)OC 34a_100000003586_100011218378 [0,2,0,0,0,0|2,0,0]=4 1305 B12R0.156 CC[C@H](C)COC[C@@H](N)C(=O)OC 34a_100000003586_100009816398 [0,2,0,0,0,0|2,0,0]=4 1306 B12R0.156 CNC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000183359 [0,2,0,0,0,0|1,0,1]=4 1307 B12R0.600 CNCCCOC(C)(F)C(=O)OC 34a_100000213112_200009867631 [0,2,0,0,0,0|2,0,0]=4 1308 B12R0.600 CNCCCOC(F)(F)C(=O)OC 34a_100000213112_100000211177 [0,2,0,0,0,0|2,0,0]=4 1309 B12R0.110 CCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210210 [0,2,0,0,0,0|2,0,0]=4 1310 B12R0.110 COC(=O)[C@@H](N)[C@@H](C)OCCSC 34a_100000004424_100000212216 [0,2,0,0,0,0|2,0,0]=4 1311 B12R0.110 COCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100011201679 [0,2,0,0,0,0|2,0,0]=4 1312 B12R0.79 CCCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100000766640 [0,2,0,0,0,0|2,0,0]=4 1313 B12R0.79 COCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100000765312 [0,2,0,0,0,0|2,0,0]=4 1314 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,2,0,0,0,0|2,0,0]=4 1315 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,2,0,0,0,0|2,0,0]=4 1316 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,2,0,0,0,0|2,0,0]=4 1317 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [0,2,0,0,0,0|2,0,0]=4 1318 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [1,0,0,1,0,0|1,0,1]=4 1320 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [1,0,0,1,0,0|2,0,0]=4 1321 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [1,0,0,1,0,0|1,0,1]=4 1322 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [1,0,0,1,0,0|2,0,0]=4 1323 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [1,0,0,1,0,0|2,0,0]=4 1324 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|2,0,0]=4 1325 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|2,0,0]=4 1326 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|2,0,0]=4 1327 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|2,0,0]=4 1328 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|2,0,0]=4 1329 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|2,0,0]=4 1330 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|2,0,0]=4 1331 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|2,0,0]=4 1332 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,0,0,1,0,0|1,0,0]=3 1333 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|2,0,0]=4 1334 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [1,0,0,1,0,0|1,0,0]=3 1335 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [1,0,0,1,0,0|1,0,0]=3 1336 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [1,0,0,1,0,0|1,0,0]=3 1337 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|0,0,0]=2 1338 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,0,0,1,0,0|1,0,0]=3 1339 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [1,0,0,1,0,0|1,0,0]=3 1340 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [1,0,0,1,0,0|1,0,0]=3 1341 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [1,0,0,1,0,0|1,0,0]=3 1342 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [1,0,0,1,0,0|1,0,0]=3 1343 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [1,0,0,1,0,0|1,0,0]=3 1344 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [1,0,0,1,0,0|1,0,0]=3 1345 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|0,0,0]=2 1346 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [1,0,0,1,0,0|1,0,0]=3 1347 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [1,0,0,1,0,0|1,0,0]=3 1348 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [1,0,0,1,0,0|1,0,0]=3 1349 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|2,0,0]=4 1350 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|2,0,0]=4 1351 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,1,0,0|2,0,0]=4 1352 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [1,0,0,1,0,0|2,0,0]=4 1353 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|2,0,0]=4 1354 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|2,0,0]=4 1355 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [1,0,0,1,0,0|2,0,0]=4 1356 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [1,0,0,1,0,0|2,0,0]=4 1357 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,0|2,0,0]=4 1358 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [1,0,0,1,0,0|2,0,0]=4 1359 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [1,0,0,1,0,0|2,0,0]=4 1360 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [1,0,0,1,0,0|2,0,0]=4 1361 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [1,0,0,1,0,0|2,0,0]=4 1362 B10R1.127 O=C([O-])COCC1CNC1 34a_100016987283_100020667443 [1,0,0,1,0,0|1,0,1]=4 1363 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|2,0,0]=4 1364 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|2,0,0]=4 1365 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|2,0,0]=4 1366 B10R1.96 CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200000210301 [1,0,0,1,0,0|1,0,1]=4 1367 B10R1.96 [13CH3]NC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200025704644 [1,0,0,1,0,0|1,0,1]=4 1368 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [1,0,0,1,0,0|1,0,0]=3 1369 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [1,0,0,1,0,0|1,0,0]=3 1370 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [1,0,0,1,0,0|2,0,0]=4 1371 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [1,0,0,1,0,0|2,0,0]=4 1372 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [1,0,0,1,0,0|2,0,0]=4 1373 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [1,0,0,1,0,0|2,0,0]=4 1374 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1375 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1376 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1377 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [1,0,0,1,0,0|2,0,0]=4 1378 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1379 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1380 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1381 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [1,0,0,1,0,0|2,0,0]=4 1382 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [1,0,0,1,0,0|2,0,0]=4 1383 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [1,0,0,1,0,0|2,0,0]=4 1384 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [1,0,0,1,0,0|2,0,0]=4 1385 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [1,0,0,1,0,0|2,0,0]=4 1386 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [1,0,0,1,0,0|1,0,0]=3 1387 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [1,0,0,1,0,0|1,0,0]=3 1388 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [1,0,0,1,0,0|2,0,0]=4 1389 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [1,0,0,1,0,0|2,0,0]=4 1390 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [1,0,0,1,0,0|2,0,0]=4 1391 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [1,0,0,1,0,0|2,0,0]=4 1392 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [1,0,0,1,0,0|2,0,0]=4 1393 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [1,0,0,1,0,0|2,0,0]=4 1394 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,0,0,1,0,1|2,0,0]=4 1395 B12R1.104 C[C@H](NC1CCN(C1)C)C(=O)O 269956a_100000743915_200012183744 [0,1,0,1,0,0|2,0,0]=4 1396 B12R1.1397 CC(CNCCC1CC1)C(=O)O 269956a_100000749485_100000694398 [0,1,0,1,0,0|2,0,0]=4 1397 B12R1.1397 CC(CNCCC1CO1)C(=O)O 269956a_100000749485_100000732470 [0,1,0,1,0,0|2,0,0]=4 1398 B12R1.1397 C[C@H](NCCCC1CO1)C(=O)O 269956a_100000743915_100000733510 [0,1,0,1,0,0|2,0,0]=4 1399 B12R1.1397 NC(=O)[C@@H](N)COCCC1CC1 34a_100000729942_100000694398 [0,1,0,1,0,0|2,0,0]=4 1400 B12R1.1397 NC(=O)[C@@H](N)COCCC1CO1 34a_100000729942_100000732470 [0,1,0,1,0,0|2,0,0]=4 1401 B12R1.1397 O=C(O)C(F)CNCCC1CC1 269956a_100000084737_100000694398 [0,1,0,1,0,0|2,0,0]=4 1402 B12R1.1397 O=C(O)C(F)CNCCC1CO1 269956a_100000084737_100000732470 [0,1,0,1,0,0|2,0,0]=4 1403 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O 269956a_100000743915_100000210327 [0,1,0,1,0,0|2,0,0]=4 1404 B12R1.43 C[C@H](NC1CCCOC1)C(=O)O 269956a_100000743915_100000693364 [0,1,0,1,0,0|2,0,0]=4 1405 B12R1.264 CC(CNC1CCCC1)C(=O)O 269956a_100000749485_100000179811 [0,1,0,1,0,0|2,0,0]=4 1406 B12R1.264 CC(CNC1CCOC1)C(=O)O 269956a_100000749485_100000731011 [0,1,0,1,0,0|2,0,0]=4 1407 B12R1.264 CC(OCC1CCNC1)C(=O)N 34a_100000748654_100000702099 [0,1,0,1,0,0|2,0,0]=4 1408 B12R1.264 C[C@H](NCC1CCCC1)C(=O)O 269956a_100000743915_100000740388 [0,1,0,1,0,0|2,0,0]=4 1409 B12R1.264 C[C@H](NCC1CCOC1)C(=O)O 269956a_100000743915_100011261433 [0,1,0,1,0,0|2,0,0]=4 1410 B12R1.264 NC(=O)C(F)OCC1CCNC1 34a_100000748654_100009813875 [0,1,0,1,0,0|2,0,0]=4 1411 B12R1.264 NC(=O)[C@@H](N)COC1CCCC1 34a_100000729942_100000179811 [0,1,0,1,0,0|2,0,0]=4 1412 B12R1.264 NC(=O)[C@@H](N)COC1CCOC1 34a_100000729942_100000690089 [0,1,0,1,0,0|2,0,0]=4 1413 B12R1.264 O=C(O)C(F)CNC1CCCC1 269956a_100000084737_100000179811 [0,1,0,1,0,0|2,0,0]=4 1414 B12R1.264 O=C(O)C(F)CNC1CCOC1 269956a_100000084737_100000731011 [0,1,0,1,0,0|2,0,0]=4 1415 B12R1.264 O=C([O-])C(F)OCC1CCNC1 34a_100000748654_100020610796 [0,1,0,1,0,0|1,0,1]=4 1416 B12R1.279 CCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210202 [0,1,0,1,0,0|2,0,0]=4 1417 B12R1.279 CCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210202 [0,1,0,1,0,0|2,0,0]=4 1418 B12R1.279 CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210202 [0,1,0,1,0,0|1,0,0]=3 1419 B12R1.279 NC(=O)C1CCCC(C1)NCF 34a_100000749473_100015361967 [0,1,0,1,0,0|2,0,0]=4 1420 B12R1.279 O=C(O)C1CCCC(C1)NCF 269956a_100011216634_100015361967 [0,1,0,1,0,0|1,0,0]=3 1421 B12R1.337 CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210207 [0,1,0,1,0,0|2,0,0]=4 1422 B12R1.337 COCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000766300 [0,1,0,1,0,0|2,0,0]=4 1423 B12R1.337 CSCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011218213 [0,1,0,1,0,0|2,0,0]=4 1424 B12R1.661 CC1(CCCCN1CF)C(=O)O 269956a_100000698061_100015361967 [0,1,0,1,0,0|1,0,0]=3 1425 B12R1.661 CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210202 [0,1,0,1,0,0|1,0,0]=3 1426 B12R1.1396 CC(CNCC1CCC1)C(=O)O 269956a_100000749485_100000763275 [0,1,0,1,0,0|2,0,0]=4 1427 B12R1.1396 CC(CNCC1COC1)C(=O)O 269956a_100000749485_100010264016 [0,1,0,1,0,0|2,0,0]=4 1428 B12R1.1396 NC(=O)[C@@H](N)COCC1CCC1 34a_100000729942_100000763275 [0,1,0,1,0,0|2,0,0]=4 1429 B12R1.1396 NC(=O)[C@@H](N)COCC1COC1 34a_100000729942_100010264016 [0,1,0,1,0,0|2,0,0]=4 1430 B12R1.1396 O=C(O)C(F)CNCC1CCC1 269956a_100000084737_100000763275 [0,1,0,1,0,0|2,0,0]=4 1431 B12R1.1396 O=C(O)C(F)CNCC1COC1 269956a_100000084737_100010264016 [0,1,0,1,0,0|2,0,0]=4 1432 B12R1.1416 CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210211 [0,1,0,1,0,0|2,0,0]=4 1433 B12R1.1416 COCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000233755 [0,1,0,1,0,0|2,0,0]=4 1434 B12R1.1416 CSCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000212216 [0,1,0,1,0,0|2,0,0]=4 1435 B12R1.1500 CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210207 [0,1,0,1,0,0|2,0,0]=4 1436 B12R1.1500 COCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000766300 [0,1,0,1,0,0|2,0,0]=4 1437 B12R1.1500 CSCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011218213 [0,1,0,1,0,0|2,0,0]=4 1438 B12R1.113 CNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_200000210301 [0,1,0,1,0,0|1,0,0]=3 1439 B12R1.113 [13CH3]NC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_200025704644 [0,1,0,1,0,0|1,0,0]=3 1440 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 1441 B12R1.478 CNC(C(=O)O)C1CCCCC1 269956a_100000742913_200000210301 [0,1,0,1,0,0|1,0,0]=3 1442 B12R1.478 CNC(C(=O)O)C1CCOCC1 269956a_100016988913_200000210301 [0,1,0,1,0,0|2,0,0]=4 1443 B12R1.478 [13CH3]NC(C(=O)O)C1CCCCC1 269956a_100000742913_200025704644 [0,1,0,1,0,0|1,0,0]=3 1444 B12R1.478 [13CH3]NC(C(=O)O)C1CCOCC1 269956a_100016988913_200025704644 [0,1,0,1,0,0|2,0,0]=4 1445 B12R1.668 CC1CCCCC1(N[13CH3])C(=O)O 269956a_103496528836_200025704644 [0,1,0,1,0,0|1,0,0]=3 1446 B12R1.668 CCC1(CCCCN1C)C(=O)O 269956a_100015183942_200000210301 [0,1,0,1,0,0|1,0,0]=3 1447 B12R1.668 CCC1(CCCCN1[13CH3])C(=O)O 269956a_100015183942_200025704644 [0,1,0,1,0,0|1,0,0]=3 1448 B12R1.668 CNC1(CCCCC1C)C(=O)O 269956a_103496528836_200000210301 [0,1,0,1,0,0|1,0,0]=3 1449 B12R1.2346 CNC1(CCCCCC1)C(=O)N 2230a_200000736391_200000210301 [0,1,0,1,0,0|2,0,0]=4 1450 B12R1.2346 CNC1(CCCCCC1)C(=O)N 34a_200000736391_200000210301 [0,1,0,1,0,0|2,0,0]=4 1451 B12R1.2346 CNC1(CCCCCC1)C(=O)O 269956a_100000739333_200000210301 [0,1,0,1,0,0|1,0,0]=3 1452 B12R1.2346 [13CH3]NC1(CCCCCC1)C(=O)N 2230a_200000736391_200025704644 [0,1,0,1,0,0|2,0,0]=4 1453 B12R1.2346 [13CH3]NC1(CCCCCC1)C(=O)N 34a_200000736391_200025704644 [0,1,0,1,0,0|2,0,0]=4 1454 B12R1.2346 [13CH3]NC1(CCCCCC1)C(=O)O 269956a_100000739333_200025704644 [0,1,0,1,0,0|1,0,0]=3 1455 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 2230a_106832991635_200159312670 [0,1,0,1,0,0|1,0,0]=3 1456 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 34a_100102657272_200159312670 [0,1,0,1,0,0|1,0,0]=3 1457 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 7a_106832991635_200159312670 [0,1,0,1,0,0|1,0,0]=3 1458 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CO[13CH3] 34a_100015302752_200025704644 [0,1,0,1,0,0|2,0,0]=4 1459 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CO[13CH3] 7a_100015302752_200025704644 [0,1,0,1,0,0|2,0,0]=4 1460 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CSC 62a_200000210301_200159312670 [0,1,0,1,0,0|2,0,0]=4 1461 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CSC 62a_200159312670_200000210301 [0,1,0,1,0,0|2,0,0]=4 1462 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CS[13CH3] 62a_200025704644_200159312670 [0,1,0,1,0,0|2,0,0]=4 1463 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CS[13CH3] 62a_200159312670_200025704644 [0,1,0,1,0,0|2,0,0]=4 1464 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 34a_100015302752_200000210301 [0,1,0,1,0,0|2,0,0]=4 1465 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 34a_100138415774_200159312670 [0,1,0,1,0,0|2,0,0]=4 1466 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 7a_100015302752_200000210301 [0,1,0,1,0,0|2,0,0]=4 1467 B12R1.435 COC(=O)C1CCCC(C1)OC 34a_100012184231_200000210301 [0,1,0,1,0,0|2,0,0]=4 1468 B12R1.435 COC(=O)C1CCCC(C1)OC 7a_100012184231_200000210301 [0,1,0,1,0,0|2,0,0]=4 1469 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 34a_100012184231_200025704644 [0,1,0,1,0,0|2,0,0]=4 1470 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 7a_100012184231_200025704644 [0,1,0,1,0,0|2,0,0]=4 1471 B12R1.470 COC(=O)C(C)OCC1CNC1 34a_100016987283_100000211248 [0,1,0,1,0,0|2,0,0]=4 1472 B12R1.470 COC(=O)[C@H](N)COC1CCC1 34a_100000003586_100000749161 [0,1,0,1,0,0|2,0,0]=4 1473 B12R1.470 COC(=O)[C@H](N)COC1COC1 34a_100000003586_100009818527 [0,1,0,1,0,0|2,0,0]=4 1474 B12R1.471 COC(=O)[C@H](N)COCC1CC1 34a_100000003586_100000742324 [0,1,0,1,0,0|2,0,0]=4 1475 B12R1.471 COC(=O)[C@H](N)COCC1CO1 34a_100000003586_102125554688 [0,1,0,1,0,0|2,0,0]=4 1476 B12R1.1729 COC(=O)C1(CCCCN1C)C 2230a_100015186357_200000210301 [0,1,0,1,0,0|1,0,0]=3 1477 B12R1.1729 COC(=O)C1(CCCCN1C)C 269982a_100015186357_200000210301 [0,1,0,1,0,0|1,0,0]=3 1478 B12R1.1729 COC(=O)C1(CCCCN1C)C 34a_100015186357_200000210301 [0,1,0,1,0,0|1,0,0]=3 1479 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 2230a_100015186357_200025704644 [0,1,0,1,0,0|1,0,0]=3 1480 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 269982a_100015186357_200025704644 [0,1,0,1,0,0|1,0,0]=3 1481 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 34a_100015186357_200025704644 [0,1,0,1,0,0|1,0,0]=3 1482 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,0,0,0,0,2|2,0,0]=4