0 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,0,0,0,0,0|1,0,3]=4 18 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,0,0,0,0,0|1,0,3]=4 19 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,0|1,0,2]=4 76 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,0|1,1,1]=4 79 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,0|1,0,2]=4 80 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,1,0,0,0,0|1,0,2]=4 84 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,0,0|3,0,0]=4 85 B8R0.16 O=C([O-])CN(CO)CF 269956a_100016989150_100015361967 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,0,0|3,0,0]=4 87 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,0,0|3,0,0]=4 93 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,1,0,0,0,0|2,0,0]=3 99 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|2,0,1]=4 110 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,0,0,0,0,1|3,0,0]=4 111 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|2,0,0]=4 112 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,1]=4 117 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|0,0,1]=3 123 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|0,0,2]=4 124 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|1,0,1]=4 126 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|0,0,1]=3 127 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 128 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|1,0,1]=4 134 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [1,1,0,0,0,0|1,0,1]=4 137 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [1,1,0,0,0,0|1,0,1]=4 138 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|1,0,0]=3 144 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|1,0,1]=4 148 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|0,1,1]=4 151 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|0,0,2]=4 157 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|0,0,0]=2 159 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,1,0,0,0,0|2,0,0]=4 170 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,1,0,0,0,0|1,0,0]=3 172 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,1,0,0,0,0|1,0,0]=3 183 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,1|2,0,0]=4 184 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,1,0,0,0,1|2,0,0]=4 185 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,1,0,0,0,1|2,0,0]=4 186 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,1,0,0,0,1|2,0,0]=4 187 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,1,0,0,0,1|2,0,0]=4 188 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,1,0,0,0,1|2,0,0]=4 189 B9R0.43 O=CC(C=O)NCC(=O)O 269956a_100016091260_100011218033 [0,1,0,0,0,1|1,0,1]=4 190 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [0,1,0,0,0,1|2,0,0]=4 191 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [0,2,0,0,0,0|2,0,0]=4 192 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,2,0,0,0,0|1,0,0]=3 193 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [0,2,0,0,0,0|2,0,0]=4 194 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000744315_100000210202 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000746405_100000210623 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.14 C=CCN(CF)CC(=O)O 269956a_100000744315_100015361967 [0,2,0,0,0,0|2,0,0]=4 198 B9R0.14 C=CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210623 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.14 CCN(CC=O)CC(=O)O 269956a_100000746405_200015260668 [0,2,0,0,0,0|1,0,0]=3 200 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,2,0,0,0,0|1,0,1]=4 201 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,2,0,0,0,0|1,0,1]=4 203 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [0,2,0,0,0,0|1,0,1]=4 204 B9R0.14 O=CCN(CO)CC(=O)[O-] 269956a_100016989150_200015260668 [0,2,0,0,0,0|0,0,1]=3 205 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000198492_100000210623 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.34 C=CCN(C)CC(=O)OC 2230a_100000225617_100000747449 [0,2,0,0,0,0|2,0,0]=4 207 B9R0.34 C=CCN(C)CC(=O)OC 269982a_100000225617_100000747449 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.34 CNC(=O)CN(C)CC=O 2230a_100000189611_200015260668 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.34 COC(=O)CN(C)CC=O 2230a_100000198492_200015260668 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,2,0,0,0,0|1,0,0]=3 217 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.7 O=CCN1CNC(=O)C1 2230a_200000708111_200015260668 [0,1,0,1,0,0|2,0,0]=4 221 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,0,0,0,0,2|2,0,0]=4