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[0,0,0,0,0,0|2,0,1]=3 33 B11R0.146 CCC[C@H](NCC(F)F)C(=O)O 269956a_100000750406_100011934356 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000729256_100009817552 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000729256_100009817552 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [0,0,0,0,0,0|2,0,1]=3 37 B11R0.146 CCC[C@H](NC[N+](=O)[O-])C(=O)N 34a_100000729256_100000761209 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.146 CCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000750406_100000761209 [0,0,0,0,0,0|2,0,1]=3 39 B11R0.146 CCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210202 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,0,0,0,0,0|4,0,0]=4 41 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210202 [0,0,0,0,0,0|3,0,0]=3 42 B11R0.146 CCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210202 [0,0,0,0,0,0|3,0,0]=3 43 B11R0.146 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269956a_100011421858_100009817552 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.146 CSC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100011421858_100000761209 [0,0,0,0,0,0|3,0,1]=4 55 B11R0.146 C[Se]C[C@H](NCC(=O)N)C(=O)O 269956a_100015254316_100000187820 [0,0,0,0,0,0|3,0,0]=3 56 B11R0.146 C[Se]C[C@H](NCC(=O)[O-])C(=O)O 269956a_100015254316_100020667443 [0,0,0,0,0,0|2,0,1]=3 57 B11R0.146 C[Se]C[C@H](NCC(C)O)C(=O)O 269956a_100015254316_100011218427 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.146 C[Se]C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015254316_100009817552 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.146 C[Se]C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100015254316_100000761209 [0,0,0,0,0,0|3,0,1]=4 60 B11R0.146 NC(=O)CC[C@H](NCF)C(=O)N 34a_200000143477_100015361967 [0,0,0,0,0,0|4,0,0]=4 61 B10R0.27 C=CC(CCC)OCC(=O)N 34a_100011216692_100000187820 [1,0,0,0,0,0|3,0,0]=4 62 B10R0.27 C=CC(CCC)OCC(=O)N 7a_100011216692_100000187820 [1,0,0,0,0,0|3,0,0]=4 63 B10R0.27 C=CC(CCC)OCC(=O)[O-] 34a_100011216692_100020667443 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [1,0,0,0,0,0|2,0,1]=4 65 B10R0.27 CCC[C@@H](CO)NCC(=O)N 2230a_100000732646_100000747473 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.27 CCC[C@@H](CO)NCC(=O)N 34a_100000732646_100000187820 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.27 CCC[C@@H](CO)NCC(=O)[O-] 34a_100000732646_100020667443 [1,0,0,0,0,0|1,0,2]=4 68 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [1,0,0,0,0,0|3,0,0]=4 69 B10R0.84 C=C(F)CN[C@H](CC)C(=O)O 269956a_100000747097_100000042424 [1,0,0,0,0,0|3,0,0]=4 70 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [1,0,0,0,0,0|3,0,0]=4 71 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [1,0,0,0,0,0|3,0,0]=4 72 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [1,0,0,0,0,0|3,0,0]=4 73 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [1,0,0,0,0,0|2,0,0]=3 74 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.84 CCC(OCC(=O)C)C(=O)N 34a_100000211253_100000750255 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000747473_100000750255 [1,0,0,0,0,0|3,0,0]=4 77 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000750255_100000747473 [1,0,0,0,0,0|3,0,0]=4 78 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100000750255_100020667443 [1,0,0,0,0,0|2,0,1]=4 79 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000750255 [1,0,0,0,0,0|2,0,1]=4 80 B10R0.84 CCN(CCC(=O)N)C(=O)C 11a_100020645749_100015343762 [1,0,0,0,0,0|3,0,0]=4 81 B10R0.84 CCN(CCC(=O)N)C(=O)C 1626a_100020645749_100015343762 [1,0,0,0,0,0|3,0,0]=4 82 B10R0.84 CCN(CCC(=O)N)C(=O)C 240690a_100020645749_100015343762 [1,0,0,0,0,0|3,0,0]=4 83 B10R0.84 CCN(CCC(=O)N)C(=O)C 527a_100020645749_100103153847 [1,0,0,0,0,0|3,0,0]=4 84 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [1,0,0,0,0,0|2,0,0]=3 85 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [1,0,0,0,0,0|1,0,1]=3 86 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [1,0,0,0,0,0|2,0,1]=4 87 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [1,0,0,0,0,0|2,0,1]=4 88 B10R0.84 CC[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100000747097_100000761209 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [1,0,0,0,0,0|3,0,0]=4 91 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [1,0,0,0,0,0|3,0,0]=4 92 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [1,0,0,0,0,0|3,0,0]=4 93 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [1,0,0,0,0,0|3,0,0]=4 94 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [1,0,0,0,0,0|2,0,1]=4 95 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [1,0,0,0,0,0|3,0,0]=4 96 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [1,0,0,0,0,0|3,0,0]=4 97 B10R0.88 C#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000184674 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.88 C=CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210623 [1,0,0,0,0,0|3,0,0]=4 99 B10R0.88 C=CCN[C@@H](CCC)C(=O)N 34a_100000729256_100015514636 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.88 C=CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210623 [1,0,0,0,0,0|2,0,0]=3 101 B10R0.88 C=CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210623 [1,0,0,0,0,0|3,0,0]=4 102 B10R0.88 C=CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210623 [1,0,0,0,0,0|3,0,0]=4 103 B10R0.88 C=CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210623 [1,0,0,0,0,0|3,0,0]=4 104 B10R0.88 C=CCOC(CCC)C(=O)N 34a_100011626294_100015514636 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.88 C=CCOC(CCC)C(=O)N 7a_100011626294_100015514636 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.88 CCCC(OCC=O)C(=O)N 34a_100011626294_200009817547 [1,0,0,0,0,0|2,0,0]=3 107 B10R0.88 CCCC(OCC=O)C(=O)N 7a_100011626294_200015260668 [1,0,0,0,0,0|2,0,0]=3 108 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [1,0,0,0,0,0|2,0,1]=4 109 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [1,0,0,0,0,0|2,0,1]=4 110 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [1,0,0,0,0,0|2,0,1]=4 111 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [1,0,0,0,0,0|2,0,1]=4 112 B10R0.88 CCC[C@H](NCC#N)C(=O)O 269956a_100000750406_100011215382 [1,0,0,0,0,0|2,0,1]=4 113 B10R0.88 CCC[C@H](NCC=O)C(=O)N 2230a_100000729256_200015260668 [1,0,0,0,0,0|2,0,0]=3 114 B10R0.88 CCC[C@H](NCC=O)C(=O)N 34a_100000729256_200009817547 [1,0,0,0,0,0|2,0,0]=3 115 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [1,0,0,0,0,0|1,0,0]=2 116 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [1,0,0,0,0,0|2,0,1]=4 117 B10R0.88 CCC[C@H](NCCO)C(=O)N 2230a_100000729256_100000211926 [1,0,0,0,0,0|2,0,1]=4 118 B10R0.88 CCC[C@H](NCCO)C(=O)N 34a_100000729256_100000211926 [1,0,0,0,0,0|2,0,1]=4 119 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [1,0,0,0,0,0|1,0,1]=3 120 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [1,0,0,0,0,0|3,0,0]=4 121 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [1,0,0,0,0,0|3,0,0]=4 122 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [1,0,0,0,0,0|3,0,0]=4 123 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [1,0,0,0,0,0|3,0,0]=4 124 B10R0.88 COC[C@@H](NCC=O)C(=O)O 269956a_100011998655_200015260668 [1,0,0,0,0,0|2,0,0]=3 125 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [1,0,0,0,0,0|2,0,1]=4 126 B10R0.88 CSC[C@H](NCC=O)C(=O)O 269956a_100011421858_200015260668 [1,0,0,0,0,0|2,0,0]=3 127 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [1,0,0,0,0,0|2,0,1]=4 128 B10R0.88 C[Se]C[C@H](NCC=O)C(=O)O 269956a_100015254316_200015260668 [1,0,0,0,0,0|2,0,0]=3 129 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [1,0,0,0,0,0|2,0,1]=4 130 B12R0.51 C=C(C)COC(CCC)C(=O)OC 34a_100000210245_200009843822 [0,1,0,0,0,0|3,0,0]=4 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34a_100000211253_200009843822 [0,1,0,0,0,0|2,0,0]=3 143 B12R0.51 CCCC(SCC(=O)N)C(=O)OC 62a_100000747473_200009843822 [0,1,0,0,0,0|2,0,0]=3 144 B12R0.51 CCCC(SCC(=O)N)C(=O)OC 62a_200009843822_100000747473 [0,1,0,0,0,0|2,0,0]=3 145 B12R0.51 CCCC(SCC(=O)[O-])C(=O)OC 62a_100020667443_200009843822 [0,1,0,0,0,0|1,0,1]=3 146 B12R0.51 CCCC(SCC(=O)[O-])C(=O)OC 62a_200009843822_100020667443 [0,1,0,0,0,0|1,0,1]=3 147 B12R0.51 CCCC(SCC(C)O)C(=O)OC 62a_100011218427_200009843822 [0,1,0,0,0,0|2,0,1]=4 148 B12R0.51 CCCC(SCC(C)O)C(=O)OC 62a_200009843822_100011218427 [0,1,0,0,0,0|2,0,1]=4 149 B12R0.51 CCCC(SC[C@@H](C)O)C(=O)OC 62a_100009817552_200009843822 [0,1,0,0,0,0|2,0,1]=4 150 B12R0.51 CCCC(SC[C@@H](C)O)C(=O)OC 62a_200009843822_100009817552 [0,1,0,0,0,0|2,0,1]=4 151 B12R0.51 CCCC(SC[N+](=O)[O-])C(=O)OC 62a_200009843822_100000761209 [0,1,0,0,0,0|2,0,1]=4 152 B12R0.51 COCC(OCC(=O)C)C(=O)OC 34a_100000211253_100000717350 [0,1,0,0,0,0|3,0,0]=4 153 B12R0.51 COCC(SCC(=O)N)C(=O)OC 62a_100000717350_100000747473 [0,1,0,0,0,0|3,0,0]=4 154 B12R0.51 COCC(SCC(=O)N)C(=O)OC 62a_100000747473_100000717350 [0,1,0,0,0,0|3,0,0]=4 155 B12R0.51 COCC(SCC(=O)[O-])C(=O)OC 62a_100000717350_100020667443 [0,1,0,0,0,0|2,0,1]=4 156 B12R0.51 COCC(SCC(=O)[O-])C(=O)OC 62a_100020667443_100000717350 [0,1,0,0,0,0|2,0,1]=4 157 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000748629 [0,1,0,0,0,0|3,0,0]=4 158 B12R0.55 C=C(C)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000748629 [0,1,0,0,0,0|3,0,0]=4 159 B12R0.55 C=C(F)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000042424 [0,1,0,0,0,0|3,0,0]=4 160 B12R0.55 C=C(F)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000042424 [0,1,0,0,0,0|3,0,0]=4 161 B12R0.55 CCCCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000748834 [0,1,0,0,0,0|3,0,0]=4 162 B12R0.55 CCCCC(NCC(=O)O)C(=O)N 269956a_100016091260_100000748834 [0,1,0,0,0,0|2,0,0]=3 163 B12R0.55 CCCCC(OCC(=O)C)C(=O)N 34a_100000211253_100000748834 [0,1,0,0,0,0|3,0,0]=4 164 B12R0.55 CCCCC(SCC(=O)N)C(=O)N 62a_100000747473_100000748834 [0,1,0,0,0,0|3,0,0]=4 165 B12R0.55 CCCCC(SCC(=O)N)C(=O)N 62a_100000748834_100000747473 [0,1,0,0,0,0|3,0,0]=4 166 B12R0.55 CCCCC(SCC(=O)[O-])C(=O)N 62a_100000748834_100020667443 [0,1,0,0,0,0|2,0,1]=4 167 B12R0.55 CCCCC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000748834 [0,1,0,0,0,0|2,0,1]=4 168 B12R0.55 CCCC[C@H](NCC(=O)N)C(=O)N 2230a_100000124899_100000747473 [0,1,0,0,0,0|3,0,0]=4 169 B12R0.55 CCCC[C@H](NCC(=O)N)C(=O)N 34a_100000124899_100000187820 [0,1,0,0,0,0|3,0,0]=4 170 B12R0.55 CCCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000124899_100020667443 [0,1,0,0,0,0|2,0,1]=4 171 B12R0.55 CCCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210207 [0,1,0,0,0,0|2,0,1]=4 172 B12R0.55 CCCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210207 [0,1,0,0,0,0|3,0,0]=4 173 B12R0.55 CCCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210303 [0,1,0,0,0,0|2,0,0]=3 174 B12R0.55 CCCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210303 [0,1,0,0,0,0|2,0,0]=3 175 B12R0.55 CCCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210207 [0,1,0,0,0,0|2,0,0]=3 176 B12R0.55 COCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000766300 [0,1,0,0,0,0|3,0,0]=4 177 B12R0.55 COCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000766300 [0,1,0,0,0,0|3,0,0]=4 178 B12R0.55 CS(=O)CC[C@H](NCCF)C(=O)O 269956a_100015235763_100011217306 [0,1,0,0,0,0|3,0,0]=4 179 B12R0.55 CS(=O)CC[C@H](NCCO)C(=O)O 269956a_100015235763_100000211926 [0,1,0,0,0,0|3,0,0]=4 180 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)N 2230a_100000119342_100000747473 [0,1,0,0,0,0|3,0,0]=4 181 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)N 34a_100000119342_100000187820 [0,1,0,0,0,0|3,0,0]=4 182 B12R0.55 CSCC[C@H](NCC(=O)N)C(=O)O 269956a_100000743919_100000187820 [0,1,0,0,0,0|2,0,0]=3 183 B12R0.55 CSCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000119342_100020667443 [0,1,0,0,0,0|2,0,1]=4 184 B12R0.55 CSCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743919_100020667443 [0,1,0,0,0,0|1,0,1]=3 185 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)O 269956a_100000743919_100011218427 [0,1,0,0,0,0|2,0,1]=4 186 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743919_100009817552 [0,1,0,0,0,0|2,0,1]=4 187 B12R0.55 CSCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743919_100000761209 [0,1,0,0,0,0|2,0,1]=4 188 B12R0.55 CSCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100011218213 [0,1,0,0,0,0|3,0,0]=4 189 B12R0.55 CSCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100011218213 [0,1,0,0,0,0|3,0,0]=4 190 B12R0.55 CSCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100011218213 [0,1,0,0,0,0|3,0,0]=4 191 B12R0.55 C[Se]CC[C@H](NCC(=O)N)C(=O)O 269956a_100020619752_100000187820 [0,1,0,0,0,0|2,0,0]=3 192 B12R0.55 C[Se]CC[C@H](NCC(=O)[O-])C(=O)O 269956a_100020619752_100020667443 [0,1,0,0,0,0|1,0,1]=3 193 B12R0.55 C[Se]CC[C@H](NCC(C)O)C(=O)O 269956a_100020619752_100011218427 [0,1,0,0,0,0|2,0,1]=4 194 B12R0.55 C[Se]CC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100020619752_100009817552 [0,1,0,0,0,0|2,0,1]=4 195 B12R0.55 C[Se]CC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100020619752_100000761209 [0,1,0,0,0,0|2,0,1]=4 196 B12R0.55 NC(=O)CC[C@H](NCCF)C(=O)N 2230a_200000143477_100011217306 [0,1,0,0,0,0|3,0,0]=4 197 B12R0.55 NC(=O)CC[C@H](NCCF)C(=O)N 34a_200000143477_100011217306 [0,1,0,0,0,0|3,0,0]=4 198 B12R0.55 NC(=O)CC[C@H](NCCO)C(=O)N 2230a_200000143477_100000211926 [0,1,0,0,0,0|3,0,0]=4 199 B12R0.55 NC(=O)CC[C@H](NCCO)C(=O)N 34a_200000143477_100000211926 [0,1,0,0,0,0|3,0,0]=4 200 B12R0.138 CC(C)C[C@H](NCC(=O)N)C(=O)N 2230a_100016989234_100000747473 [0,1,0,0,0,0|3,0,0]=4 201 B12R0.138 CC(C)C[C@H](NCC(=O)N)C(=O)N 34a_100016989234_100000187820 [0,1,0,0,0,0|3,0,0]=4 202 B12R0.138 CC(C)C[C@H](NCC(=O)[O-])C(=O)N 34a_100016989234_100020667443 [0,1,0,0,0,0|2,0,1]=4 203 B12R0.138 CC(C)N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210206 [0,1,0,0,0,0|3,0,0]=4 204 B12R0.138 CC(C)N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210206 [0,1,0,0,0,0|3,0,0]=4 205 B12R0.138 CC(C)N[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210206 [0,1,0,0,0,0|3,0,0]=4 206 B12R0.138 CS(=O)C[C@H](NCC(=O)N)C(=O)O 269956a_100009817418_100000187820 [0,1,0,0,0,0|3,0,0]=4 207 B12R0.138 CS(=O)C[C@H](NCC(=O)[O-])C(=O)O 269956a_100009817418_100020667443 [0,1,0,0,0,0|2,0,1]=4 208 B12R0.350 C=C(C)CN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000748629 [0,1,0,0,0,0|3,0,0]=4 209 B12R0.350 C=C(F)CN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000042424 [0,1,0,0,0,0|3,0,0]=4 210 B12R0.350 CC[C@H](C)[C@@H](NCC(=O)N)C(=O)O 269956a_100009815163_100000187820 [0,1,0,0,0,0|2,0,0]=3 211 B12R0.350 CC[C@H](C)[C@@H](NCC(=O)[O-])C(=O)O 269956a_100009815163_100020667443 [0,1,0,0,0,0|1,0,1]=3 212 B12R0.350 CC[C@H](C)[C@@H](NCC(C)O)C(=O)O 269956a_100009815163_100011218427 [0,1,0,0,0,0|2,0,1]=4 213 B12R0.350 CC[C@H](C)[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100009815163_100009817552 [0,1,0,0,0,0|2,0,1]=4 214 B12R0.350 CC[C@H](C)[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100009815163_100000761209 [0,1,0,0,0,0|2,0,1]=4 215 B12R0.350 CC[C@H](C)[C@H](NCC(=O)N)C(=O)N 2230a_100000758034_100000747473 [0,1,0,0,0,0|3,0,0]=4 216 B12R0.350 CO[C@H](C)[C@H](NCC(=O)N)C(=O)O 269956a_100015335849_100000187820 [0,1,0,0,0,0|3,0,0]=4 217 B12R0.350 CO[C@H](C)[C@H](NCC(=O)[O-])C(=O)O 269956a_100015335849_100020667443 [0,1,0,0,0,0|2,0,1]=4 218 B12R0.400 CCCC(OC(C)C(=O)C)C(=O)N 7a_100011626294_100000179758 [0,1,0,0,0,0|3,0,0]=4 219 B12R0.400 CCCC(OC(C)C(=O)N)C(=O)N 34a_100011626294_100000702099 [0,1,0,0,0,0|3,0,0]=4 220 B12R0.400 CCCC(OC(C)C(=O)N)C(=O)N 7a_100011626294_100000702099 [0,1,0,0,0,0|3,0,0]=4 221 B12R0.400 CCCC(OC(F)C(=O)N)C(=O)N 34a_100011626294_100009813875 [0,1,0,0,0,0|3,0,0]=4 222 B12R0.400 CCCC(OC(F)C(=O)N)C(=O)N 7a_100011626294_100009813875 [0,1,0,0,0,0|3,0,0]=4 223 B12R0.400 CCCC(OC(F)C(=O)[O-])C(=O)N 34a_100011626294_100020610796 [0,1,0,0,0,0|2,0,1]=4 224 B12R0.400 CCC[C@H](NC(C)C(=O)C)C(=O)N 2230a_100000729256_100009814033 [0,1,0,0,0,0|3,0,0]=4 225 B12R0.400 CCC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100000750406_100009814033 [0,1,0,0,0,0|2,0,0]=3 226 B12R0.400 CCC[C@H](NC(C)C(=O)N)C(=O)N 2230a_100000729256_100000702099 [0,1,0,0,0,0|3,0,0]=4 227 B12R0.400 CCC[C@H](NC(C)C(=O)N)C(=O)N 34a_100000729256_100000702099 [0,1,0,0,0,0|3,0,0]=4 228 B12R0.400 CCC[C@H](NC(F)C(=O)N)C(=O)N 2230a_100000729256_100009813875 [0,1,0,0,0,0|3,0,0]=4 229 B12R0.400 CCC[C@H](NC(F)C(=O)N)C(=O)N 34a_100000729256_100009813875 [0,1,0,0,0,0|3,0,0]=4 230 B12R0.400 CCC[C@H](NC(F)C(=O)[O-])C(=O)N 34a_100000729256_100020610796 [0,1,0,0,0,0|2,0,1]=4 231 B12R0.400 COC[C@@H](NC(C)C(=O)C)C(=O)O 269956a_100011998655_100009814033 [0,1,0,0,0,0|3,0,0]=4 232 B12R0.400 CSC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100011421858_100009814033 [0,1,0,0,0,0|3,0,0]=4 233 B12R0.400 C[Se]C[C@H](NC(C)C(=O)C)C(=O)O 269956a_100015254316_100009814033 [0,1,0,0,0,0|3,0,0]=4 234 B12R0.403 C=C(C#N)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000694840 [0,1,0,0,0,0|3,0,0]=4 235 B12R0.403 C=CC(O)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730141 [0,1,0,0,0,0|2,0,1]=4 236 B12R0.403 CCC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000747405 [0,1,0,0,0,0|3,0,0]=4 237 B12R0.403 CCC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000747405 [0,1,0,0,0,0|3,0,0]=4 238 B12R0.403 CCC(=O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000747405 [0,1,0,0,0,0|3,0,0]=4 239 B12R0.403 CCCC(OCC(=O)CC)C(=O)N 7a_100011626294_100000747405 [0,1,0,0,0,0|3,0,0]=4 240 B12R0.403 CCCC(OCC(=O)NC)C(=O)N 34a_100011626294_100000183359 [0,1,0,0,0,0|3,0,0]=4 241 B12R0.403 CCCC(OCC(=O)NC)C(=O)N 7a_100011626294_100000183359 [0,1,0,0,0,0|3,0,0]=4 242 B12R0.403 CCCC(OCC(=O)OC)C(=O)N 34a_100011626294_100000747449 [0,1,0,0,0,0|2,0,0]=3 243 B12R0.403 CCCC(OCC(=O)OC)C(=O)N 7a_100011626294_100000747449 [0,1,0,0,0,0|2,0,0]=3 244 B12R0.403 CCC[C@H](NCC(=O)CC)C(=O)O 269956a_100000750406_100000747405 [0,1,0,0,0,0|2,0,0]=3 245 B12R0.403 CCC[C@H](NCC(=O)NC)C(=O)N 2230a_100000729256_100000183359 [0,1,0,0,0,0|3,0,0]=4 246 B12R0.403 CCC[C@H](NCC(=O)NC)C(=O)N 34a_100000729256_100000183359 [0,1,0,0,0,0|3,0,0]=4 247 B12R0.403 CCC[C@H](NCC(=O)NC)C(=O)O 269956a_100000750406_100000183359 [0,1,0,0,0,0|2,0,0]=3 248 B12R0.403 CCC[C@H](NCC(=O)OC)C(=O)N 2230a_100000729256_100000747449 [0,1,0,0,0,0|2,0,0]=3 249 B12R0.403 CCC[C@H](NCC(=O)OC)C(=O)N 34a_100000729256_100000747449 [0,1,0,0,0,0|2,0,0]=3 250 B12R0.403 CCC[C@H](NCC(=O)OC)C(=O)O 269956a_100000750406_100000747449 [0,1,0,0,0,0|1,0,0]=2 251 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)O 269956a_100000750406_100011218378 [0,1,0,0,0,0|2,0,1]=4 252 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)O 269956a_100000750406_100011219619 [0,1,0,0,0,0|1,0,2]=4 253 B12R0.403 CCC[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100000750406_100000059175 [0,1,0,0,0,0|2,0,1]=4 254 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000750406_100015614560 [0,1,0,0,0,0|2,0,1]=4 255 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000750406_100009815848 [0,1,0,0,0,0|1,0,2]=4 256 B12R0.403 CNC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000183359 [0,1,0,0,0,0|3,0,0]=4 257 B12R0.403 CNC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000183359 [0,1,0,0,0,0|3,0,0]=4 258 B12R0.403 CNC(=O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000183359 [0,1,0,0,0,0|3,0,0]=4 259 B12R0.403 COC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000747449 [0,1,0,0,0,0|2,0,0]=3 260 B12R0.403 COC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000747449 [0,1,0,0,0,0|2,0,0]=3 261 B12R0.403 COC[C@@H](NCC(=O)OC)C(=O)O 269956a_100011998655_100000747449 [0,1,0,0,0,0|2,0,0]=3 262 B12R0.550 CCC[C@H](NCC(C)(C)O)C(=O)O 269956a_100000750406_100000764493 [0,1,0,0,0,0|2,0,1]=4 263 B12R0.550 CCC[C@H](NCS(=O)(=O)N)C(=O)O 269956a_100000750406_100000741382 [0,1,0,0,0,0|2,0,1]=4 264 B12R0.550 CCC[C@H](NCS(=O)(=O)[O-])C(=O)O 269956a_100000750406_100009817235 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.57 CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210202 [0,0,0,1,0,0|2,0,1]=4 266 B12R1.125 CC(=O)CCN1CCCCC1=O 1458a_100011236303_200000210301 [0,0,0,1,0,0|3,0,0]=4 267 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,0,0,1,0,0|3,0,0]=4 268 B12R1.125 CC(=O)COC1CCCNC1=O 34a_100000211253_100000687798 [0,0,0,1,0,0|3,0,0]=4 269 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,0,1,0,0|3,0,0]=4 270 B12R1.125 NC(=O)CNC1CCCNC1=O 2230a_100000711301_100000687798 [0,0,0,1,0,0|3,0,0]=4 271 B12R1.125 NC(=O)CNC1CCCNC1=O 2230a_100000747585_100000747473 [0,0,0,1,0,0|3,0,0]=4 272 B12R1.125 NC(=O)CNC1CCCNC1=O 34a_100000747585_100000187820 [0,0,0,1,0,0|3,0,0]=4 273 B12R1.125 NC(=O)COC1CCCCC1=O 34a_100011214950_100000187820 [0,0,0,1,0,0|3,0,0]=4 274 B12R1.125 NC(=O)COC1CCCNC1=O 34a_100000073722_100000187820 [0,0,0,1,0,0|3,0,0]=4 275 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000204591_100000747473 [0,0,0,1,0,0|3,0,0]=4 276 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000747473_100000204591 [0,0,0,1,0,0|3,0,0]=4 277 B12R1.125 NC(=O)CSC1CCCNC1=O 62a_100000687798_100000747473 [0,0,0,1,0,0|3,0,0]=4 278 B12R1.125 NC(=O)CSC1CCCNC1=O 62a_100000747473_100000687798 [0,0,0,1,0,0|3,0,0]=4 279 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,0,0,1,0,0|2,0,0]=3 280 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,0,0,1,0,0|2,0,1]=4 281 B12R1.125 O=C(O)CNC1CCCNC1=O 269956a_100016091260_100000687798 [0,0,0,1,0,0|2,0,0]=3 282 B12R1.125 O=C(O)CNC1COCCC1=O 269956a_100016091260_100012180262 [0,0,0,1,0,0|3,0,0]=4 283 B12R1.125 O=C([O-])CNC1CCCNC1=O 34a_100000747585_100020667443 [0,0,0,1,0,0|2,0,1]=4 284 B12R1.125 O=C([O-])COC1CCCCC1=O 34a_100011214950_100020667443 [0,0,0,1,0,0|2,0,1]=4 285 B12R1.125 O=C([O-])COC1CCCNC1=O 34a_100000073722_100020667443 [0,0,0,1,0,0|2,0,1]=4 286 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100000204591_100020667443 [0,0,0,1,0,0|2,0,1]=4 287 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100020667443_100000204591 [0,0,0,1,0,0|2,0,1]=4 288 B12R1.125 O=C([O-])CSC1CCCNC1=O 62a_100000687798_100020667443 [0,0,0,1,0,0|2,0,1]=4 289 B12R1.125 O=C([O-])CSC1CCCNC1=O 62a_100020667443_100000687798 [0,0,0,1,0,0|2,0,1]=4 290 B12R1.125 [13CH3]C(=O)CCN1CCCCC1=O 1458a_100011236303_200025704644 [0,0,0,1,0,0|3,0,0]=4 291 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,0,1,0,0|3,0,0]=4 292 B12R1.258 CC(=O)C1CCCN(C1)C(=O)C 1458a_100000194941_200000210301 [0,0,0,1,0,0|3,0,0]=4 293 B12R1.258 CC(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_200000210301 [0,0,0,1,0,0|3,0,0]=4 294 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N 11a_100000195536_100015343762 [0,0,0,1,0,0|3,0,0]=4 295 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N 240690a_100000195536_100015343762 [0,0,0,1,0,0|3,0,0]=4 296 B12R1.258 CC(=O)N1CCCC(C1)C(=O)[13CH3] 1458a_100000194941_200025704644 [0,0,0,1,0,0|3,0,0]=4 297 B12R1.258 [13CH3]C(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_200025704644 [0,0,0,1,0,0|3,0,0]=4 298 B12R1.274 CCCN1CC(CC1=O)C(=O)C 1458a_100000215767_200000210301 [0,0,0,1,0,0|3,0,0]=4 299 B12R1.274 CCCN1CC(CC1=O)C(=O)[13CH3] 1458a_100000215767_200025704644 [0,0,0,1,0,0|3,0,0]=4 300 B12R1.392 C=C(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748629 [0,0,0,1,0,0|3,0,0]=4 301 B12R1.392 C=C(F)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000042424 [0,0,0,1,0,0|3,0,0]=4 302 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [0,0,0,1,0,0|2,0,1]=4 303 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [0,0,0,1,0,0|2,0,1]=4 304 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000747473 [0,0,0,1,0,0|3,0,0]=4 305 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000187820 [0,0,0,1,0,0|2,0,0]=3 306 B12R1.392 NC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000187820 [0,0,0,1,0,0|3,0,0]=4 307 B12R1.392 NC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000187820 [0,0,0,1,0,0|3,0,0]=4 308 B12R1.392 O=C(O)[C@@H]1CCCN1C[N+](=O)[O-] 269956a_100000743916_100000761209 [0,0,0,1,0,0|2,0,1]=4 309 B12R1.392 O=C([O-])CN1CCC[C@H]1C(=O)O 269956a_100000743916_100020667443 [0,0,0,1,0,0|1,0,1]=3 310 B12R1.392 O=C([O-])CN1CCSC1C(=O)O 269956a_100000035718_100020667443 [0,0,0,1,0,0|2,0,1]=4 311 B12R1.392 O=C([O-])CN1CSC[C@H]1C(=O)O 269956a_100000743924_100020667443 [0,0,0,1,0,0|2,0,1]=4 312 B12R1.861 C=C(C)COC1CC(OC1=O)C 34a_100000210245_200000216747 [0,0,0,1,0,0|3,0,0]=4 313 B12R1.861 C=C(C)CSC1CC(OC1=O)C 62a_100000748629_200000216747 [0,0,0,1,0,0|3,0,0]=4 314 B12R1.861 C=C(C)CSC1CC(OC1=O)C 62a_200000216747_100000211660 [0,0,0,1,0,0|3,0,0]=4 315 B12R1.861 C=C(F)COC1CC(OC1=O)C 34a_200010262243_200000216747 [0,0,0,1,0,0|3,0,0]=4 316 B12R1.861 C=C(F)CSC1CC(OC1=O)C 62a_100000042424_200000216747 [0,0,0,1,0,0|3,0,0]=4 317 B12R1.861 C=C(F)CSC1CC(OC1=O)C 62a_200000216747_100000042424 [0,0,0,1,0,0|3,0,0]=4 318 B12R1.861 CC(=O)COC1CC(OC1=O)C 34a_100000211253_200000216747 [0,0,0,1,0,0|2,0,0]=3 319 B12R1.861 CC(O)CNC1CC(OC1=O)C 2230a_100000210904_200000216747 [0,0,0,1,0,0|2,0,1]=4 320 B12R1.861 CC(O)CNC1CC(OC1=O)C 34a_100000210904_200000216747 [0,0,0,1,0,0|2,0,1]=4 321 B12R1.861 CC(O)CSC1CC(OC1=O)C 62a_100011218427_200000216747 [0,0,0,1,0,0|2,0,1]=4 322 B12R1.861 CC(O)CSC1CC(OC1=O)C 62a_200000216747_100011218427 [0,0,0,1,0,0|2,0,1]=4 323 B12R1.861 CC1CC(C(=O)O1)NCC(=O)N 2230a_100000711301_200000216747 [0,0,0,1,0,0|2,0,0]=3 324 B12R1.861 CC1CC(C(=O)O1)SCC(=O)N 62a_100000747473_200000216747 [0,0,0,1,0,0|2,0,0]=3 325 B12R1.861 CC1CC(C(=O)O1)SCC(=O)N 62a_200000216747_100000747473 [0,0,0,1,0,0|2,0,0]=3 326 B12R1.861 CC1CC(C(=O)O1)SCC(=O)[O-] 62a_100020667443_200000216747 [0,0,0,1,0,0|1,0,1]=3 327 B12R1.861 CC1CC(C(=O)O1)SCC(=O)[O-] 62a_200000216747_100020667443 [0,0,0,1,0,0|1,0,1]=3 328 B12R1.861 CC1CC(C(=O)O1)SC[C@@H](C)O 62a_100009817552_200000216747 [0,0,0,1,0,0|2,0,1]=4 329 B12R1.861 CC1CC(C(=O)O1)SC[C@@H](C)O 62a_200000216747_100009817552 [0,0,0,1,0,0|2,0,1]=4 330 B12R1.861 CC1CC(C(=O)O1)SC[N+](=O)[O-] 62a_200000216747_100000761209 [0,0,0,1,0,0|2,0,1]=4 331 B12R1.1507 CCC[C@H](NCC1CO1)C(=O)O 269956a_100000750406_102125554688 [0,0,0,1,0,0|2,0,1]=4 332 B12R1.1507 CCC[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000750406_100000745022 [0,0,0,1,0,0|2,0,1]=4 333 B12R1.2796 C=C(C)CNC1(CCC1)C(=O)O 269956a_100000688724_100000748629 [0,0,0,1,0,0|3,0,0]=4 334 B12R1.2796 C=C(F)CNC1(CCC1)C(=O)O 269956a_100000688724_100000042424 [0,0,0,1,0,0|3,0,0]=4 335 B12R1.2796 CC(O)CNC1(CCC1)C(=O)O 269956a_100000688724_100011218427 [0,0,0,1,0,0|2,0,1]=4 336 B12R1.2796 C[C@@H](O)CNC1(CCC1)C(=O)O 269956a_100000688724_100009817552 [0,0,0,1,0,0|2,0,1]=4 337 B12R1.2796 NC(=O)CNC1(CCC1)C(=O)O 269956a_100000688724_100000187820 [0,0,0,1,0,0|2,0,0]=3 338 B12R1.2796 O=C(O)C1(CCC1)NC[N+](=O)[O-] 269956a_100000688724_100000761209 [0,0,0,1,0,0|2,0,1]=4 339 B12R1.2796 O=C([O-])CNC1(CCC1)C(=O)O 269956a_100000688724_100020667443 [0,0,0,1,0,0|1,0,1]=3 340 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,0,0,0,1,0|3,0,0]=4 341 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,0,0,0,1,0|3,0,0]=4 342 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,0,0,0,1,0|3,0,0]=4 343 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,0,0,0,1,0|3,0,0]=4 344 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,0,0,0,1,0|3,0,0]=4 345 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,0,0,0,1,0|3,0,0]=4 346 B10R0.23 CCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210202 [0,0,0,0,1,0|3,0,0]=4 347 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,0,0,0,1,0|3,0,0]=4 348 B12R0.52 CC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000053229 [0,0,0,0,0,1|3,0,0]=4 349 B12R0.52 NC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000744528 [0,0,0,0,0,1|3,0,0]=4 350 B12R0.397 C=C(C)CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000730704 [0,0,0,0,0,1|3,0,0]=4 351 B12R0.397 C=C(C)CCN[C@@H](CCC)C(=O)N 34a_100000729256_100000730704 [0,0,0,0,0,1|3,0,0]=4 352 B12R0.397 C=C(C)CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730704 [0,0,0,0,0,1|2,0,0]=3 353 B12R0.397 C=C(C)CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000730704 [0,0,0,0,0,1|3,0,0]=4 354 B12R0.397 C=C(C)CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000730704 [0,0,0,0,0,1|3,0,0]=4 355 B12R0.397 C=C(C)CCN[C@H](COC)C(=O)O 269956a_100011998655_100000730704 [0,0,0,0,0,1|3,0,0]=4 356 B12R0.397 C=C(C)CCOC(CCC)C(=O)N 34a_100011626294_100000730704 [0,0,0,0,0,1|3,0,0]=4 357 B12R0.397 C=C(C)CCOC(CCC)C(=O)N 7a_100011626294_100000730704 [0,0,0,0,0,1|3,0,0]=4 358 B12R0.397 CCCC(OCCC(=O)C)C(=O)N 7a_100011626294_100000053229 [0,0,0,0,0,1|2,0,0]=3 359 B12R0.397 CCCC(OCCC(=O)N)C(=O)N 34a_100011626294_100000731001 [0,0,0,0,0,1|2,0,0]=3 360 B12R0.397 CCCC(OCCC(=O)N)C(=O)N 7a_100011626294_100000744528 [0,0,0,0,0,1|2,0,0]=3 361 B12R0.397 CCCC(OCCC(C)O)C(=O)N 34a_100011626294_100012276601 [0,0,0,0,0,1|2,0,1]=4 362 B12R0.397 CCCC(OCCC(C)O)C(=O)N 7a_100011626294_100012276601 [0,0,0,0,0,1|2,0,1]=4 363 B12R0.397 CCCC(OCOC(=O)C)C(=O)N 34a_100011626294_100009813279 [0,0,0,0,0,1|3,0,0]=4 364 B12R0.397 CCC[C@H](NCC=C(C)C)C(=O)O 269956a_100000750406_100000761012 [0,0,0,0,0,1|2,0,1]=4 365 B12R0.397 CCC[C@H](NCCC(=O)C)C(=O)O 269956a_100000750406_100000053229 [0,0,0,0,0,1|1,0,0]=2 366 B12R0.397 CCC[C@H](NCCC(=O)N)C(=O)N 2230a_100000729256_100000744528 [0,0,0,0,0,1|2,0,0]=3 367 B12R0.397 CCC[C@H](NCCC(=O)N)C(=O)N 34a_100000729256_100000731001 [0,0,0,0,0,1|2,0,0]=3 368 B12R0.397 CCC[C@H](NCCC(=O)N)C(=O)O 269956a_100000750406_100000744528 [0,0,0,0,0,1|1,0,0]=2 369 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)O 269956a_100000750406_100000210312 [0,0,0,0,0,1|2,0,1]=4 370 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)N 2230a_100000729256_100012276601 [0,0,0,0,0,1|2,0,1]=4 371 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)N 34a_100000729256_100012276601 [0,0,0,0,0,1|2,0,1]=4 372 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)O 269956a_100000750406_100012276601 [0,0,0,0,0,1|1,0,1]=3 373 B12R0.397 CCC[C@H](NCCN(C)C)C(=O)O 269956a_100000750406_100000755713 [0,0,0,0,0,1|3,0,0]=4 374 B12R0.397 CCC[C@H](NCOC(=O)C)C(=O)N 34a_100000729256_100009813279 [0,0,0,0,0,1|3,0,0]=4 375 B12R0.397 CCC[C@H](NCOC(=O)C)C(=O)O 269956a_100000750406_100000076356 [0,0,0,0,0,1|2,0,0]=3 376 B12R0.397 COC[C@@H](NCCC(=O)C)C(=O)O 269956a_100011998655_100000053229 [0,0,0,0,0,1|2,0,0]=3 377 B12R0.397 COC[C@@H](NCCC(=O)N)C(=O)O 269956a_100011998655_100000744528 [0,0,0,0,0,1|2,0,0]=3 378 B12R0.397 COC[C@@H](NCCC(C)O)C(=O)O 269956a_100011998655_100012276601 [0,0,0,0,0,1|2,0,1]=4 379 B12R0.397 COC[C@@H](NCOC(=O)C)C(=O)O 269956a_100011998655_100000076356 [0,0,0,0,0,1|3,0,0]=4 380 B12R0.397 CSC[C@H](NCCC(=O)C)C(=O)O 269956a_100011421858_100000053229 [0,0,0,0,0,1|2,0,0]=3 381 B12R0.397 CSC[C@H](NCCC(=O)N)C(=O)O 269956a_100011421858_100000744528 [0,0,0,0,0,1|2,0,0]=3 382 B12R0.397 CSC[C@H](NCCC(C)O)C(=O)O 269956a_100011421858_100012276601 [0,0,0,0,0,1|2,0,1]=4 383 B12R0.397 CSC[C@H](NCOC(=O)C)C(=O)O 269956a_100011421858_100000076356 [0,0,0,0,0,1|3,0,0]=4 384 B12R0.397 C[Se]C[C@H](NCCC(=O)C)C(=O)O 269956a_100015254316_100000053229 [0,0,0,0,0,1|2,0,0]=3 385 B12R0.397 C[Se]C[C@H](NCCC(=O)N)C(=O)O 269956a_100015254316_100000744528 [0,0,0,0,0,1|2,0,0]=3 386 B12R0.397 C[Se]C[C@H](NCCC(C)O)C(=O)O 269956a_100015254316_100012276601 [0,0,0,0,0,1|2,0,1]=4 387 B12R0.397 C[Se]C[C@H](NCOC(=O)C)C(=O)O 269956a_100015254316_100000076356 [0,0,0,0,0,1|3,0,0]=4 388 B9R0.40 C=CC(CCC)OCC=O 34a_100011216692_200009817547 [2,0,0,0,0,0|2,0,0]=4 389 B9R0.40 C=CC(CCC)OCC=O 7a_100011216692_200015260668 [2,0,0,0,0,0|2,0,0]=4 390 B9R0.40 CCC[C@@H](CO)NCC=O 2230a_100000732646_200015260668 [2,0,0,0,0,0|1,0,1]=4 391 B9R0.40 CCC[C@@H](CO)NCC=O 34a_100000732646_200009817547 [2,0,0,0,0,0|1,0,1]=4 392 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [2,0,0,0,0,0|1,0,1]=4 393 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [2,0,0,0,0,0|1,0,1]=4 394 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [2,0,0,0,0,0|2,0,0]=4 395 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [2,0,0,0,0,0|2,0,0]=4 396 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [2,0,0,0,0,0|1,0,1]=4 397 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [2,0,0,0,0,0|2,0,0]=4 398 B9R0.13 CCC(NCC=O)C(=O)N 2230a_100000733705_200015260668 [2,0,0,0,0,0|2,0,0]=4 399 B9R0.13 CCC(NCC=O)C(=O)N 34a_100000733705_200009817547 [2,0,0,0,0,0|2,0,0]=4 400 B9R0.13 CCC(SCC=O)C(=O)N 62a_100000750255_200015260668 [2,0,0,0,0,0|2,0,0]=4 401 B9R0.13 CCC(SCC=O)C(=O)N 62a_200015260668_100000750255 [2,0,0,0,0,0|2,0,0]=4 402 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [2,0,0,0,0,0|1,0,0]=3 403 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [2,0,0,0,0,0|1,0,1]=4 404 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [2,0,0,0,0,0|2,0,0]=4 405 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [2,0,0,0,0,0|1,0,1]=4 406 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [2,0,0,0,0,0|1,0,1]=4 407 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [2,0,0,0,0,0|1,0,1]=4 408 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [2,0,0,0,0,0|2,0,0]=4 409 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [2,0,0,0,0,0|1,0,1]=4 410 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [2,0,0,0,0,0|2,0,0]=4 411 B11R0.134 C=CC(CCC)OCC(=O)OC 34a_100011216692_100000747449 [1,1,0,0,0,0|2,0,0]=4 412 B11R0.134 C=CC(CCC)OCC(=O)OC 7a_100011216692_100000747449 [1,1,0,0,0,0|2,0,0]=4 413 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 2230a_100000732646_100000747449 [1,1,0,0,0,0|1,0,1]=4 414 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 34a_100000732646_100000747449 [1,1,0,0,0,0|1,0,1]=4 415 B11R0.28 CC(C)[C@@H](NCC(=O)N)C(=O)O 269956a_100000745019_100000187820 [1,1,0,0,0,0|2,0,0]=4 416 B11R0.28 CC(C)[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000745019_100020667443 [1,1,0,0,0,0|1,0,1]=4 417 B11R0.28 CC(O)C(NCC(=O)N)C(=O)O 269956a_100000185852_100000187820 [1,1,0,0,0,0|2,0,0]=4 418 B11R0.28 CC(O)C(NCC(=O)[O-])C(=O)O 269956a_100000185852_100020667443 [1,1,0,0,0,0|1,0,1]=4 419 B11R0.90 CCC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000747405 [1,1,0,0,0,0|2,0,0]=4 420 B11R0.90 CCC(NCC(=O)OC)C(=O)N 2230a_100000733705_100000747449 [1,1,0,0,0,0|2,0,0]=4 421 B11R0.90 CCC(NCC(=O)OC)C(=O)N 34a_100000733705_100000747449 [1,1,0,0,0,0|2,0,0]=4 422 B11R0.90 CCC(SCC(=O)OC)C(=O)N 62a_100000747449_100000750255 [1,1,0,0,0,0|2,0,0]=4 423 B11R0.90 CCC(SCC(=O)OC)C(=O)N 62a_100000750255_100000747449 [1,1,0,0,0,0|2,0,0]=4 424 B11R0.90 CCN(CCC(=O)OC)C(=O)C 11a_100000229097_100015343762 [1,1,0,0,0,0|2,0,0]=4 425 B11R0.90 CCN(CCC(=O)OC)C(=O)C 1626a_100000229097_100015343762 [1,1,0,0,0,0|2,0,0]=4 426 B11R0.90 CCN(CCC(=O)OC)C(=O)C 240690a_100000229097_100015343762 [1,1,0,0,0,0|2,0,0]=4 427 B11R0.90 CCN(CCC(=O)OC)C(=O)C 527a_100000229097_100103153847 [1,1,0,0,0,0|2,0,0]=4 428 B11R0.90 CC[C@@H](NCC(=O)NC)C(=O)O 269956a_100000747097_100000183359 [1,1,0,0,0,0|2,0,0]=4 429 B11R0.90 CC[C@@H](NCC(=O)OC)C(=O)O 269956a_100000747097_100000747449 [1,1,0,0,0,0|1,0,0]=3 430 B11R0.90 COC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747449 [1,1,0,0,0,0|2,0,0]=4 431 B11R0.275 CCC(N[C@@H](C)C(=O)O)C(=O)N 269956a_100000743915_200011216081 [1,1,0,0,0,0|2,0,0]=4 432 B11R0.275 CC[C@@H](NC(C)C(=O)C)C(=O)O 269956a_100000747097_100009814033 [1,1,0,0,0,0|2,0,0]=4 433 B11R0.282 CCC(C(=O)N)N(C)CC(=O)O 269956a_100000746989_200011216081 [1,1,0,0,0,0|2,0,0]=4 434 B11R0.371 CCC(C)(NCC(=O)N)C(=O)O 269956a_100025756313_100000187820 [1,1,0,0,0,0|2,0,0]=4 435 B11R0.371 CCC(C)(NCC(=O)[O-])C(=O)O 269956a_100025756313_100020667443 [1,1,0,0,0,0|1,0,1]=4 436 B11R0.36 C=CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210623 [1,1,0,0,0,0|2,0,0]=4 437 B11R0.36 C=CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210623 [1,1,0,0,0,0|2,0,0]=4 438 B11R0.36 CCCCC(SCC=O)C(=O)N 62a_100000748834_200015260668 [1,1,0,0,0,0|2,0,0]=4 439 B11R0.36 CCCCC(SCC=O)C(=O)N 62a_200015260668_100000748834 [1,1,0,0,0,0|2,0,0]=4 440 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 2230a_100000124899_200015260668 [1,1,0,0,0,0|2,0,0]=4 441 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 34a_100000124899_200009817547 [1,1,0,0,0,0|2,0,0]=4 442 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210207 [1,1,0,0,0,0|2,0,0]=4 443 B11R0.36 CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210207 [1,1,0,0,0,0|2,0,0]=4 444 B11R0.36 CSCC[C@H](NCC=O)C(=O)N 2230a_100000119342_200015260668 [1,1,0,0,0,0|2,0,0]=4 445 B11R0.36 CSCC[C@H](NCC=O)C(=O)N 34a_100000119342_200009817547 [1,1,0,0,0,0|2,0,0]=4 446 B11R0.36 CSCC[C@H](NCC=O)C(=O)O 269956a_100000743919_200015260668 [1,1,0,0,0,0|1,0,0]=3 447 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [1,1,0,0,0,0|1,0,1]=4 448 B11R0.36 C[Se]CC[C@H](NCC=O)C(=O)O 269956a_100020619752_200015260668 [1,1,0,0,0,0|1,0,0]=3 449 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [1,1,0,0,0,0|1,0,1]=4 450 B11R0.38 C=CCNC(CCC)C(=O)OC 2230a_100020586998_200009843822 [1,1,0,0,0,0|2,0,0]=4 451 B11R0.38 C=CCOC(CCC)C(=O)OC 34a_200000210373_200009843822 [1,1,0,0,0,0|2,0,0]=4 452 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_100000210623_200009843822 [1,1,0,0,0,0|2,0,0]=4 453 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[1,1,0,0,0,0|2,0,0]=4 465 B11R0.78 C#CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000688953 [1,1,0,0,0,0|1,0,1]=4 466 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)O 269956a_100000750406_100102629194 [1,1,0,0,0,0|1,0,1]=4 467 B11R0.78 C=CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000754431 [1,1,0,0,0,0|2,0,0]=4 468 B11R0.78 C=CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000754431 [1,1,0,0,0,0|2,0,0]=4 469 B11R0.78 C=CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000754431 [1,1,0,0,0,0|1,0,0]=3 470 B11R0.78 C=CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000754431 [1,1,0,0,0,0|2,0,0]=4 471 B11R0.78 C=CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000754431 [1,1,0,0,0,0|2,0,0]=4 472 B11R0.78 C=CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000754431 [1,1,0,0,0,0|2,0,0]=4 473 B11R0.78 C=CCCOC(CCC)C(=O)N 34a_100011626294_100000754431 [1,1,0,0,0,0|2,0,0]=4 474 B11R0.78 C=CCCOC(CCC)C(=O)N 7a_100011626294_100000754431 [1,1,0,0,0,0|2,0,0]=4 475 B11R0.78 CCCC(OCCCO)C(=O)N 34a_100011626294_100000230001 [1,1,0,0,0,0|1,0,1]=4 476 B11R0.78 CCCC(OCCCO)C(=O)N 7a_100011626294_100011215043 [1,1,0,0,0,0|1,0,1]=4 477 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [1,1,0,0,0,0|1,0,1]=4 478 B11R0.78 CCC[C@H](NCCC#N)C(=O)O 269956a_100000750406_100011215226 [1,1,0,0,0,0|1,0,1]=4 479 B11R0.78 CCC[C@H](NCCCF)C(=O)O 269956a_100000750406_100011934791 [1,1,0,0,0,0|1,0,1]=4 480 B11R0.78 CCC[C@H](NCCCO)C(=O)N 2230a_100000729256_100000230001 [1,1,0,0,0,0|1,0,1]=4 481 B11R0.78 CCC[C@H](NCCCO)C(=O)N 34a_100000729256_100000230001 [1,1,0,0,0,0|1,0,1]=4 482 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [1,1,0,0,0,0|0,0,1]=3 483 B11R0.78 CCC[C@H](NCCOC)C(=O)O 269956a_100000750406_100000233755 [1,1,0,0,0,0|1,0,1]=4 484 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [1,1,0,0,0,0|2,0,0]=4 485 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [1,1,0,0,0,0|1,0,1]=4 486 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [1,1,0,0,0,0|1,0,1]=4 487 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [1,1,0,0,0,0|1,0,1]=4 488 B11R0.160 CC(C)C[C@H](NCC=O)C(=O)N 2230a_100016989234_200015260668 [1,1,0,0,0,0|2,0,0]=4 489 B11R0.160 CC(C)C[C@H](NCC=O)C(=O)N 34a_100016989234_200009817547 [1,1,0,0,0,0|2,0,0]=4 490 B11R0.160 CS(=O)C[C@H](NCC=O)C(=O)O 269956a_100009817418_200015260668 [1,1,0,0,0,0|2,0,0]=4 491 B11R0.167 C=CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210623 [1,1,0,0,0,0|2,0,0]=4 492 B11R0.167 CC[C@H](C)[C@@H](NCC=O)C(=O)O 269956a_100009815163_200015260668 [1,1,0,0,0,0|1,0,0]=3 493 B11R0.167 CC[C@H](C)[C@@H](NCCO)C(=O)O 269956a_100009815163_100000211926 [1,1,0,0,0,0|1,0,1]=4 494 B11R0.167 CC[C@H](C)[C@H](NCC=O)C(=O)N 2230a_100000758034_200015260668 [1,1,0,0,0,0|2,0,0]=4 495 B11R0.167 CO[C@H](C)[C@H](NCC=O)C(=O)O 269956a_100015335849_200015260668 [1,1,0,0,0,0|2,0,0]=4 496 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [1,1,0,0,0,0|2,0,0]=4 497 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [1,1,0,0,0,0|1,0,1]=4 498 B11R0.39 CCCC(NC(=O)C)C(=O)OC 188690a_100000696665_100015343762 [0,1,0,0,1,0|2,0,0]=4 499 B13R0.253 CC[C@H](C)[C@@H](CC(=O)O)NCC(=O)N 269956a_100020625877_100000187820 [0,1,0,0,0,1|2,0,0]=4 500 B13R0.253 CC[C@H](C)[C@@H](CC(=O)O)NCC(=O)[O-] 269956a_100020625877_100020667443 [0,1,0,0,0,1|1,0,1]=4 501 B13R0.637 CCCC(CC(=O)OC)OCC(=O)N 7a_100000065524_100000187820 [0,1,0,0,0,1|2,0,0]=4 502 B13R0.718 COC(=O)CCN(CCO)CC(=O)O 269956a_100000747938_100000204255 [0,1,0,0,0,1|2,0,0]=4 503 B13R0.366 CCCC(OCCC(=O)NC)C(=O)N 34a_100011626294_100012179268 [0,1,0,0,0,1|2,0,0]=4 504 B13R0.366 CCCC(OCCC(=O)NC)C(=O)N 7a_100011626294_100000737683 [0,1,0,0,0,1|2,0,0]=4 505 B13R0.366 CCCC(OCCC(=O)OC)C(=O)N 34a_100011626294_100000742370 [0,1,0,0,0,1|1,0,0]=3 506 B13R0.366 CCCC(OCCC(=O)OC)C(=O)N 7a_100011626294_100000204255 [0,1,0,0,0,1|1,0,0]=3 507 B13R0.366 CCC[C@H](NCCC(=O)NC)C(=O)N 2230a_100000729256_100000737683 [0,1,0,0,0,1|2,0,0]=4 508 B13R0.366 CCC[C@H](NCCC(=O)NC)C(=O)N 34a_100000729256_100012179268 [0,1,0,0,0,1|2,0,0]=4 509 B13R0.366 CCC[C@H](NCCC(=O)NC)C(=O)O 269956a_100000750406_100000737683 [0,1,0,0,0,1|1,0,0]=3 510 B13R0.366 CCC[C@H](NCCC(=O)OC)C(=O)N 2230a_100000729256_100000204255 [0,1,0,0,0,1|1,0,0]=3 511 B13R0.366 CCC[C@H](NCCC(=O)OC)C(=O)N 34a_100000729256_100000742370 [0,1,0,0,0,1|1,0,0]=3 512 B13R0.366 CCC[C@H](NCCC(=O)OC)C(=O)O 269956a_100000750406_100000204255 [0,1,0,0,0,1|0,0,0]=2 513 B13R0.366 CNC(=O)CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000737683 [0,1,0,0,0,1|2,0,0]=4 514 B13R0.366 CNC(=O)CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000737683 [0,1,0,0,0,1|2,0,0]=4 515 B13R0.366 CNC(=O)CCN[C@H](COC)C(=O)O 269956a_100011998655_100000737683 [0,1,0,0,0,1|2,0,0]=4 516 B13R0.366 COC(=O)CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000204255 [0,1,0,0,0,1|1,0,0]=3 517 B13R0.366 COC(=O)CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000204255 [0,1,0,0,0,1|1,0,0]=3 518 B13R0.366 COC[C@@H](NCCC(=O)OC)C(=O)O 269956a_100011998655_100000204255 [0,1,0,0,0,1|1,0,0]=3 519 B13R0.443 CC(=O)CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000053229 [0,1,0,0,0,1|2,0,0]=4 520 B13R0.443 CC(C)C[C@H](NCCC(=O)N)C(=O)N 2230a_100016989234_100000744528 [0,1,0,0,0,1|2,0,0]=4 521 B13R0.443 CC(C)C[C@H](NCCC(=O)N)C(=O)N 34a_100016989234_100000731001 [0,1,0,0,0,1|2,0,0]=4 522 B13R0.443 CS(=O)C[C@H](NCCC(=O)N)C(=O)O 269956a_100009817418_100000744528 [0,1,0,0,0,1|2,0,0]=4 523 B13R0.547 CCC[C@H](NCC(=O)C(=O)C)C(=O)O 269956a_100000750406_100011261029 [0,1,0,0,0,1|1,0,1]=4 524 B13R0.645 CCC[C@H](NC(C)OC(=O)C)C(=O)O 269956a_100000750406_100009818208 [0,1,0,0,0,1|2,0,0]=4 525 B13R0.690 CCC[C@H](NCCC(C)(C)O)C(=O)O 269956a_100000750406_100000702414 [0,1,0,0,0,1|1,0,1]=4 526 B13R0.690 CCC[C@H](NCCS(=O)(=O)C)C(=O)O 269956a_100000750406_100000731031 [0,1,0,0,0,1|1,0,1]=4 527 B13R0.690 CCC[C@H](NCCS(=O)(=O)[O-])C(=O)O 269956a_100000750406_100000762736 [0,1,0,0,0,1|1,0,1]=4 528 B13R0.709 C=C(Br)CCOC(CCC)C(=O)OC 34a_100009813270_200009843822 [0,1,0,0,0,1|2,0,0]=4 529 B13R0.709 C=C(C)CCOC(CCC)C(=O)OC 34a_100000764851_200009843822 [0,1,0,0,0,1|2,0,0]=4 530 B13R0.709 C=C(C)CCSC(CCC)C(=O)OC 62a_100000730704_200009843822 [0,1,0,0,0,1|2,0,0]=4 531 B13R0.709 C=C(C)CCSC(CCC)C(=O)OC 62a_200009843822_100000730704 [0,1,0,0,0,1|2,0,0]=4 532 B13R0.709 CCCC(NCCC(=O)N)C(=O)NC 2230a_106256046333_100000744528 [0,1,0,0,0,1|2,0,0]=4 533 B13R0.709 CCCC(NCCC(=O)N)C(=O)NC 34a_106256046333_100000731001 [0,1,0,0,0,1|2,0,0]=4 534 B13R0.709 CCCC(NCCC(C)O)C(=O)OC 2230a_200000755665_200009843822 [0,1,0,0,0,1|1,0,1]=4 535 B13R0.709 CCCC(OCCC(=O)C)C(=O)OC 34a_100000759926_200009843822 [0,1,0,0,0,1|1,0,0]=3 536 B13R0.709 CCCC(OCCC(=O)C)C(=O)OC 7a_100000759926_200009843822 [0,1,0,0,0,1|1,0,0]=3 537 B13R0.709 CCCC(OCCC(=O)N)C(=O)OC 34a_100000757172_200009843822 [0,1,0,0,0,1|1,0,0]=3 538 B13R0.709 CCCC(OCCC(=O)N)C(=O)OC 7a_100000757172_200009843822 [0,1,0,0,0,1|1,0,0]=3 539 B13R0.709 CCCC(SCCC(=O)C)C(=O)OC 62a_100000053229_200009843822 [0,1,0,0,0,1|1,0,0]=3 540 B13R0.709 CCCC(SCCC(=O)C)C(=O)OC 62a_200009843822_100000053229 [0,1,0,0,0,1|1,0,0]=3 541 B13R0.709 CCCC(SCCC(=O)N)C(=O)OC 62a_100000744528_200009843822 [0,1,0,0,0,1|1,0,0]=3 542 B13R0.709 CCCC(SCCC(=O)N)C(=O)OC 62a_200009843822_100000744528 [0,1,0,0,0,1|1,0,0]=3 543 B13R0.709 CCCC(SCCC(C)O)C(=O)OC 62a_100012276601_200009843822 [0,1,0,0,0,1|1,0,1]=4 544 B13R0.709 CCCC(SCCC(C)O)C(=O)OC 62a_200009843822_100012276601 [0,1,0,0,0,1|1,0,1]=4 545 B13R0.709 CCCC(SCOC(=O)C)C(=O)OC 62a_100000076356_200009843822 [0,1,0,0,0,1|2,0,0]=4 546 B13R0.709 CCCC(SCOC(=O)C)C(=O)OC 62a_200009843822_100000076356 [0,1,0,0,0,1|2,0,0]=4 547 B13R0.709 COCC(OCCC(=O)C)C(=O)OC 34a_100000759926_100000717350 [0,1,0,0,0,1|2,0,0]=4 548 B13R0.709 COCC(OCCC(=O)N)C(=O)OC 34a_100000757172_100000717350 [0,1,0,0,0,1|2,0,0]=4 549 B13R0.709 COCC(SCCC(=O)C)C(=O)OC 62a_100000053229_100000717350 [0,1,0,0,0,1|2,0,0]=4 550 B13R0.709 COCC(SCCC(=O)C)C(=O)OC 62a_100000717350_100000053229 [0,1,0,0,0,1|2,0,0]=4 551 B13R0.709 COCC(SCCC(=O)N)C(=O)OC 62a_100000717350_100000744528 [0,1,0,0,0,1|2,0,0]=4 552 B13R0.709 COCC(SCCC(=O)N)C(=O)OC 62a_100000744528_100000717350 [0,1,0,0,0,1|2,0,0]=4 553 B13R0.886 C=C(C)CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000730704 [0,1,0,0,0,1|2,0,0]=4 554 B13R0.886 CC[C@H](C)[C@@H](NCCC(=O)C)C(=O)O 269956a_100009815163_100000053229 [0,1,0,0,0,1|1,0,0]=3 555 B13R0.886 CC[C@H](C)[C@@H](NCCC(=O)N)C(=O)O 269956a_100009815163_100000744528 [0,1,0,0,0,1|1,0,0]=3 556 B13R0.886 CC[C@H](C)[C@@H](NCCC(C)O)C(=O)O 269956a_100009815163_100012276601 [0,1,0,0,0,1|1,0,1]=4 557 B13R0.886 CC[C@H](C)[C@@H](NCOC(=O)C)C(=O)O 269956a_100009815163_100000076356 [0,1,0,0,0,1|2,0,0]=4 558 B13R0.886 CC[C@H](C)[C@H](NCCC(=O)N)C(=O)N 2230a_100000758034_100000744528 [0,1,0,0,0,1|2,0,0]=4 559 B13R0.886 CO[C@H](C)[C@H](NCCC(=O)C)C(=O)O 269956a_100015335849_100000053229 [0,1,0,0,0,1|2,0,0]=4 560 B13R0.886 CO[C@H](C)[C@H](NCCC(=O)N)C(=O)O 269956a_100015335849_100000744528 [0,1,0,0,0,1|2,0,0]=4 561 B13R0.1298 C=C(C)CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000730704 [0,1,0,0,0,1|2,0,0]=4 562 B13R0.1298 C=C(C)CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000730704 [0,1,0,0,0,1|2,0,0]=4 563 B13R0.1298 CCCCC(NOCC(=O)O)C(=O)N 269956a_100000106656_100000748834 [0,1,0,0,0,1|2,0,0]=4 564 B13R0.1298 CCCCC(OCCC(=O)C)C(=O)N 34a_100000759926_100000748834 [0,1,0,0,0,1|2,0,0]=4 565 B13R0.1298 CCCCC(OCCC(=O)C)C(=O)N 7a_100000759926_100000748834 [0,1,0,0,0,1|2,0,0]=4 566 B13R0.1298 CCCCC(OCCC(=O)N)C(=O)N 34a_100000757172_100000748834 [0,1,0,0,0,1|2,0,0]=4 567 B13R0.1298 CCCCC(OCCC(=O)N)C(=O)N 7a_100000757172_100000748834 [0,1,0,0,0,1|2,0,0]=4 568 B13R0.1298 CCCCC(SCCC(=O)C)C(=O)N 62a_100000053229_100000748834 [0,1,0,0,0,1|2,0,0]=4 569 B13R0.1298 CCCCC(SCCC(=O)C)C(=O)N 62a_100000748834_100000053229 [0,1,0,0,0,1|2,0,0]=4 570 B13R0.1298 CCCCC(SCCC(=O)N)C(=O)N 62a_100000744528_100000748834 [0,1,0,0,0,1|2,0,0]=4 571 B13R0.1298 CCCCC(SCCC(=O)N)C(=O)N 62a_100000748834_100000744528 [0,1,0,0,0,1|2,0,0]=4 572 B13R0.1298 CCCC[C@H](NCCC(=O)N)C(=O)N 2230a_100000124899_100000744528 [0,1,0,0,0,1|2,0,0]=4 573 B13R0.1298 CCCC[C@H](NCCC(=O)N)C(=O)N 34a_100000124899_100000731001 [0,1,0,0,0,1|2,0,0]=4 574 B13R0.1298 CSCC[C@H](NCCC(=O)C)C(=O)O 269956a_100000743919_100000053229 [0,1,0,0,0,1|1,0,0]=3 575 B13R0.1298 CSCC[C@H](NCCC(=O)N)C(=O)N 2230a_100000119342_100000744528 [0,1,0,0,0,1|2,0,0]=4 576 B13R0.1298 CSCC[C@H](NCCC(=O)N)C(=O)N 34a_100000119342_100000731001 [0,1,0,0,0,1|2,0,0]=4 577 B13R0.1298 CSCC[C@H](NCCC(=O)N)C(=O)O 269956a_100000743919_100000744528 [0,1,0,0,0,1|1,0,0]=3 578 B13R0.1298 CSCC[C@H](NCCC(C)O)C(=O)O 269956a_100000743919_100012276601 [0,1,0,0,0,1|1,0,1]=4 579 B13R0.1298 CSCC[C@H](NCOC(=O)C)C(=O)O 269956a_100000743919_100000076356 [0,1,0,0,0,1|2,0,0]=4 580 B13R0.1298 C[Se]CC[C@H](NCCC(=O)C)C(=O)O 269956a_100020619752_100000053229 [0,1,0,0,0,1|1,0,0]=3 581 B13R0.1298 C[Se]CC[C@H](NCCC(=O)N)C(=O)O 269956a_100020619752_100000744528 [0,1,0,0,0,1|1,0,0]=3 582 B13R0.1298 C[Se]CC[C@H](NCCC(C)O)C(=O)O 269956a_100020619752_100012276601 [0,1,0,0,0,1|1,0,1]=4 583 B13R0.1298 C[Se]CC[C@H](NCOC(=O)C)C(=O)O 269956a_100020619752_100000076356 [0,1,0,0,0,1|2,0,0]=4 584 B13R0.342 CCCCC(NCC(=O)N)C(=O)OC 2230a_100000711301_100000750740 [0,2,0,0,0,0|2,0,0]=4 585 B13R0.342 CCCCC(NCC(=O)O)C(=O)OC 269956a_100016091260_100000750740 [0,2,0,0,0,0|1,0,0]=3 586 B13R0.342 CCCCC(OCC(=O)C)C(=O)OC 34a_100000211253_100000750740 [0,2,0,0,0,0|2,0,0]=4 587 B13R0.342 CCCCC(SCC(=O)N)C(=O)OC 62a_100000747473_100000750740 [0,2,0,0,0,0|2,0,0]=4 588 B13R0.342 CCCCC(SCC(=O)N)C(=O)OC 62a_100000750740_100000747473 [0,2,0,0,0,0|2,0,0]=4 589 B13R0.342 CCCCC(SCC(=O)[O-])C(=O)OC 62a_100000750740_100020667443 [0,2,0,0,0,0|1,0,1]=4 590 B13R0.342 CCCCC(SCC(=O)[O-])C(=O)OC 62a_100020667443_100000750740 [0,2,0,0,0,0|1,0,1]=4 591 B13R0.656 CCCC(N[C@H](C)C(=O)N)C(=O)OC 2230a_100000119354_200009843822 [0,2,0,0,0,0|2,0,0]=4 592 B13R0.656 CCCC(N[C@H](C)C(=O)N)C(=O)OC 34a_100000119354_200009843822 [0,2,0,0,0,0|2,0,0]=4 593 B13R0.656 CCCC(OC(C)C(=O)C)C(=O)OC 34a_100000212229_200009843822 [0,2,0,0,0,0|2,0,0]=4 594 B13R0.656 CCCC(O[C@@H](C)C(=O)[O-])C(=O)OC 7a_217856618621_200009843822 [0,2,0,0,0,0|1,0,1]=4 595 B13R0.656 CCCC(O[C@H](C)C(=O)N)C(=O)OC 34a_100000731257_200009843822 [0,2,0,0,0,0|2,0,0]=4 596 B13R0.656 CCCC(O[C@H](C)C(=O)N)C(=O)OC 7a_100000731257_200009843822 [0,2,0,0,0,0|2,0,0]=4 597 B13R0.656 CCCC(SC(C)C(=O)C)C(=O)OC 62a_100009814033_200009843822 [0,2,0,0,0,0|2,0,0]=4 598 B13R0.656 CCCC(SC(C)C(=O)C)C(=O)OC 62a_200009843822_100009814033 [0,2,0,0,0,0|2,0,0]=4 599 B13R0.656 CCCC(SC(C)C(=O)N)C(=O)OC 62a_100000702099_200009843822 [0,2,0,0,0,0|2,0,0]=4 600 B13R0.656 CCCC(SC(C)C(=O)N)C(=O)OC 62a_200009843822_100000702099 [0,2,0,0,0,0|2,0,0]=4 601 B13R0.656 CCCC(SC(F)C(=O)N)C(=O)OC 62a_100009813875_200009843822 [0,2,0,0,0,0|2,0,0]=4 602 B13R0.656 CCCC(SC(F)C(=O)N)C(=O)OC 62a_200009843822_100009813875 [0,2,0,0,0,0|2,0,0]=4 603 B13R0.656 CCCC(SC(F)C(=O)[O-])C(=O)OC 62a_100020610796_200009843822 [0,2,0,0,0,0|1,0,1]=4 604 B13R0.656 CCCC(SC(F)C(=O)[O-])C(=O)OC 62a_200009843822_100020610796 [0,2,0,0,0,0|1,0,1]=4 605 B13R0.686 CCCC(C(=O)CC(=O)N)C(=O)OC 1458a_100134613110_200009843822 [0,2,0,0,0,0|1,0,1]=4 606 B13R0.686 CCCC(C(=O)OC)N(C)CC(=O)N 2230a_100000739694_200009843822 [0,2,0,0,0,0|2,0,0]=4 607 B13R0.717 CCCC(NCC(=O)NC)C(=O)OC 2230a_100000693194_200009843822 [0,2,0,0,0,0|2,0,0]=4 608 B13R0.717 CCCC(NCC(=O)OC)C(=O)NC 2230a_106256046333_100000747449 [0,2,0,0,0,0|2,0,0]=4 609 B13R0.717 CCCC(NCC(=O)OC)C(=O)NC 34a_106256046333_100000747449 [0,2,0,0,0,0|2,0,0]=4 610 B13R0.717 CCCC(OCC(=O)CC)C(=O)OC 34a_100000725409_200009843822 [0,2,0,0,0,0|2,0,0]=4 611 B13R0.717 CCCC(OCC(=O)NC)C(=O)OC 34a_100000750040_200009843822 [0,2,0,0,0,0|2,0,0]=4 612 B13R0.717 CCCC(SCC(=O)CC)C(=O)OC 62a_100000747405_200009843822 [0,2,0,0,0,0|2,0,0]=4 613 B13R0.717 CCCC(SCC(=O)CC)C(=O)OC 62a_200009843822_100000747405 [0,2,0,0,0,0|2,0,0]=4 614 B13R0.717 CCCC(SCC(=O)NC)C(=O)OC 62a_100000183359_200009843822 [0,2,0,0,0,0|2,0,0]=4 615 B13R0.717 CCCC(SCC(=O)NC)C(=O)OC 62a_200009843822_100000183359 [0,2,0,0,0,0|2,0,0]=4 616 B13R0.717 CCCC(SCC(=O)OC)C(=O)OC 62a_100000747449_200009843822 [0,2,0,0,0,0|1,0,0]=3 617 B13R0.717 CCCC(SCC(=O)OC)C(=O)OC 62a_200009843822_100000747449 [0,2,0,0,0,0|1,0,0]=3 618 B13R0.717 CCNC(CCC(=O)OC)C(=O)OC 2230a_100015525214_100009814691 [0,2,0,0,0,0|1,0,0]=3 619 B13R0.717 CCOC(CCC(=O)OC)C(=O)OC 34a_100121572206_100009814691 [0,2,0,0,0,0|1,0,0]=3 620 B13R0.717 CCSC(CCC(=O)OC)C(=O)OC 62a_100000210202_100009814691 [0,2,0,0,0,0|1,0,0]=3 621 B13R0.717 CCSC(CCC(=O)OC)C(=O)OC 62a_100009814691_100000210202 [0,2,0,0,0,0|1,0,0]=3 622 B13R0.717 COC(=O)CCC(SCF)C(=O)OC 62a_100009814691_100015361967 [0,2,0,0,0,0|2,0,0]=4 623 B13R0.717 COC(=O)CCC(SCF)C(=O)OC 62a_100015361967_100009814691 [0,2,0,0,0,0|2,0,0]=4 624 B13R0.717 COCC(SCC(=O)OC)C(=O)OC 62a_100000717350_100000747449 [0,2,0,0,0,0|2,0,0]=4 625 B13R0.717 COCC(SCC(=O)OC)C(=O)OC 62a_100000747449_100000717350 [0,2,0,0,0,0|2,0,0]=4 626 B13R0.1177 CCCC(NCC(=O)N)C(=O)OCC 2230a_100000711301_100000695697 [0,2,0,0,0,0|2,0,0]=4 627 B13R0.1177 CCCC(NCC(=O)O)C(=O)OCC 269956a_100016091260_100000695697 [0,2,0,0,0,0|1,0,0]=3 628 B13R0.1177 CCCC(OCC(=O)C)C(=O)OCC 34a_100000211253_100000695697 [0,2,0,0,0,0|2,0,0]=4 629 B13R0.1177 CCCC(OCC(=O)N)C(=O)OCC 34a_200011218214_100000187820 [0,2,0,0,0,0|2,0,0]=4 630 B13R0.1177 CCCC(OCC(=O)N)C(=O)OCC 7a_200011218214_100000187820 [0,2,0,0,0,0|2,0,0]=4 631 B13R0.1177 CCCC(OCC(=O)[O-])C(=O)OCC 34a_200011218214_100020667443 [0,2,0,0,0,0|1,0,1]=4 632 B13R0.1177 CCCC(SCC(=O)N)C(=O)OCC 62a_100000695697_100000747473 [0,2,0,0,0,0|2,0,0]=4 633 B13R0.1177 CCCC(SCC(=O)N)C(=O)OCC 62a_100000747473_100000695697 [0,2,0,0,0,0|2,0,0]=4 634 B13R0.1177 CCCC(SCC(=O)[O-])C(=O)OCC 62a_100000695697_100020667443 [0,2,0,0,0,0|1,0,1]=4 635 B13R0.1177 CCCC(SCC(=O)[O-])C(=O)OCC 62a_100020667443_100000695697 [0,2,0,0,0,0|1,0,1]=4 636 B13R0.53 CC(C)CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210760 [0,2,0,0,0,0|2,0,0]=4 637 B13R0.53 CC(C)CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210624 [0,2,0,0,0,0|2,0,0]=4 638 B13R0.53 CC(C)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210760 [0,2,0,0,0,0|2,0,0]=4 639 B13R0.53 CC(O)CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100011218427 [0,2,0,0,0,0|2,0,0]=4 640 B13R0.53 CC(O)CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100011218427 [0,2,0,0,0,0|2,0,0]=4 641 B13R0.53 CC(O)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100011218427 [0,2,0,0,0,0|2,0,0]=4 642 B13R0.53 CS(=O)CC[C@H](NCC(=O)N)C(=O)O 269956a_100015235763_100000187820 [0,2,0,0,0,0|2,0,0]=4 643 B13R0.53 CS(=O)CC[C@H](NCC(=O)[O-])C(=O)O 269956a_100015235763_100020667443 [0,2,0,0,0,0|1,0,1]=4 644 B13R0.53 C[C@@H](O)CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100009817552 [0,2,0,0,0,0|2,0,0]=4 645 B13R0.53 C[C@@H](O)CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100009817552 [0,2,0,0,0,0|2,0,0]=4 646 B13R0.53 C[C@@H](O)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100009817552 [0,2,0,0,0,0|2,0,0]=4 647 B13R0.53 C[S+](C)CCC(NCC(=O)N)C(=O)O 269956a_100000210779_100000187820 [0,2,0,0,0,0|2,0,0]=4 648 B13R0.53 C[S+](C)CCC(NCC(=O)[O-])C(=O)O 269956a_100000210779_100020667443 [0,2,0,0,0,0|1,0,1]=4 649 B13R0.160 CCCCC(N[C@@H](C)C(=O)O)C(=O)N 269956a_100000743915_100000748834 [0,2,0,0,0,0|2,0,0]=4 650 B13R0.160 CSCC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100000743919_100009814033 [0,2,0,0,0,0|2,0,0]=4 651 B13R0.160 C[Se]CC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100020619752_100009814033 [0,2,0,0,0,0|2,0,0]=4 652 B13R0.256 CCC(C)N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000758301 [0,2,0,0,0,0|2,0,0]=4 653 B13R0.256 CCC(C)N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100011215416 [0,2,0,0,0,0|2,0,0]=4 654 B13R0.256 CCC(C)N[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000758301 [0,2,0,0,0,0|2,0,0]=4 655 B13R0.346 CCCCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000210211 [0,2,0,0,0,0|2,0,0]=4 656 B13R0.346 CCCCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000210210 [0,2,0,0,0,0|2,0,0]=4 657 B13R0.346 CCCCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210211 [0,2,0,0,0,0|2,0,0]=4 658 B13R0.346 CCOCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000739092 [0,2,0,0,0,0|2,0,0]=4 659 B13R0.346 COCCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100011201679 [0,2,0,0,0,0|2,0,0]=4 660 B13R0.346 COCCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100011201679 [0,2,0,0,0,0|2,0,0]=4 661 B13R0.346 COCCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000233755 [0,2,0,0,0,0|2,0,0]=4 662 B13R0.346 CS(=O)CC[C@H](NCCCF)C(=O)O 269956a_100015235763_100011934791 [0,2,0,0,0,0|2,0,0]=4 663 B13R0.346 CS(=O)CC[C@H](NCCCO)C(=O)O 269956a_100015235763_100011215043 [0,2,0,0,0,0|2,0,0]=4 664 B13R0.346 CSCCN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_100000751147 [0,2,0,0,0,0|2,0,0]=4 665 B13R0.346 CSCCN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_100000212216 [0,2,0,0,0,0|2,0,0]=4 666 B13R0.346 CSCCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000212216 [0,2,0,0,0,0|2,0,0]=4 667 B13R0.346 NC(=O)CC[C@H](NCCCF)C(=O)N 2230a_200000143477_100011934791 [0,2,0,0,0,0|2,0,0]=4 668 B13R0.346 NC(=O)CC[C@H](NCCCF)C(=O)N 34a_200000143477_100011934791 [0,2,0,0,0,0|2,0,0]=4 669 B13R0.346 NC(=O)CC[C@H](NCCCO)C(=O)N 2230a_200000143477_100000230001 [0,2,0,0,0,0|2,0,0]=4 670 B13R0.346 NC(=O)CC[C@H](NCCCO)C(=O)N 34a_200000143477_100000230001 [0,2,0,0,0,0|2,0,0]=4 671 B13R0.1300 CCC(=O)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000747405 [0,2,0,0,0,0|2,0,0]=4 672 B13R0.1300 CCC(=O)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000747405 [0,2,0,0,0,0|2,0,0]=4 673 B13R0.1300 CCCCC(SCC(=O)OC)C(=O)N 62a_100000747449_100000748834 [0,2,0,0,0,0|2,0,0]=4 674 B13R0.1300 CCCCC(SCC(=O)OC)C(=O)N 62a_100000748834_100000747449 [0,2,0,0,0,0|2,0,0]=4 675 B13R0.1300 CCCC[C@H](NCC(=O)OC)C(=O)N 2230a_100000124899_100000747449 [0,2,0,0,0,0|2,0,0]=4 676 B13R0.1300 CCCC[C@H](NCC(=O)OC)C(=O)N 34a_100000124899_100000747449 [0,2,0,0,0,0|2,0,0]=4 677 B13R0.1300 CNC(=O)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000183359 [0,2,0,0,0,0|2,0,0]=4 678 B13R0.1300 CNC(=O)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000183359 [0,2,0,0,0,0|2,0,0]=4 679 B13R0.1300 COC(=O)CN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000747449 [0,2,0,0,0,0|2,0,0]=4 680 B13R0.1300 COC(=O)CN[C@@H](CCSC)C(=O)N 34a_100000119342_100000747449 [0,2,0,0,0,0|2,0,0]=4 681 B13R0.1300 COC(=O)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000747449 [0,2,0,0,0,0|1,0,0]=3 682 B13R0.1300 COC(=O)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000747449 [0,2,0,0,0,0|1,0,0]=3 683 B13R0.1310 CCCCC(C(=O)N)N(C)CC(=O)O 269956a_100000746989_100000748834 [0,2,0,0,0,0|2,0,0]=4 684 B13R0.432 COC(=O)CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000747449 [0,2,0,0,0,0|2,0,0]=4 685 B13R0.432 COC(=O)CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000747449 [0,2,0,0,0,0|2,0,0]=4 686 B13R0.432 COC(=O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000747449 [0,2,0,0,0,0|2,0,0]=4 687 B13R0.1418 CC(C)(C)CC(NCC(=O)N)C(=O)O 269956a_100000691758_100000187820 [0,2,0,0,0,0|2,0,0]=4 688 B13R0.1418 CC(C)(C)CC(NCC(=O)[O-])C(=O)O 269956a_100000691758_100020667443 [0,2,0,0,0,0|1,0,1]=4 689 B13R0.1418 CC(C)(F)C[C@H](NCC(=O)N)C(=O)O 269956a_100016039316_100000187820 [0,2,0,0,0,0|2,0,0]=4 690 B13R0.1418 CC(C)(F)C[C@H](NCC(=O)[O-])C(=O)O 269956a_100016039316_100020667443 [0,2,0,0,0,0|1,0,1]=4 691 B13R0.437 CCC(=O)CN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000747405 [0,2,0,0,0,0|2,0,0]=4 692 B13R0.437 CC[C@H](C)[C@@H](NCC(=O)NC)C(=O)O 269956a_100009815163_100000183359 [0,2,0,0,0,0|2,0,0]=4 693 B13R0.437 CC[C@H](C)[C@@H](NCC(=O)OC)C(=O)O 269956a_100009815163_100000747449 [0,2,0,0,0,0|1,0,0]=3 694 B13R0.437 CC[C@H](C)[C@H](NCC(=O)OC)C(=O)N 2230a_100000758034_100000747449 [0,2,0,0,0,0|2,0,0]=4 695 B13R0.437 COC(=O)CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000747449 [0,2,0,0,0,0|2,0,0]=4 696 B13R0.889 CC[C@H](C)[C@@H](NC(C)C(=O)C)C(=O)O 269956a_100009815163_100009814033 [0,2,0,0,0,0|2,0,0]=4 697 B13R0.912 CCC(C)C(C(=O)O)N(C)CC(=O)N 269956a_100000694001_100000187820 [0,2,0,0,0,0|2,0,0]=4 698 B13R0.912 CCC(C)C(C(=O)O)N(C)CC(=O)[O-] 269956a_100000694001_100020667443 [0,2,0,0,0,0|1,0,1]=4 699 B13R0.549 CCC[C@H](NC(CC)C(=O)N)C(=O)O 269956a_100000750406_200011216081 [0,2,0,0,0,0|2,0,0]=4 700 B13R0.558 CCC[C@H](NC(C)(C)C(=O)C)C(=O)O 269956a_100000750406_100000075568 [0,2,0,0,0,0|2,0,0]=4 701 B13R0.657 CCCC(OC(C)C(=O)OC)C(=O)N 34a_100011626294_100000211248 [0,2,0,0,0,0|2,0,0]=4 702 B13R0.657 CCCC(OC(C)C(=O)OC)C(=O)N 7a_100011626294_100000211248 [0,2,0,0,0,0|2,0,0]=4 703 B13R0.657 CCC[C@H](NC(C)C(=O)CC)C(=O)O 269956a_100000750406_100000742827 [0,2,0,0,0,0|2,0,0]=4 704 B13R0.657 CCC[C@H](NC(C)C(=O)NC)C(=O)O 269956a_100000750406_100000209862 [0,2,0,0,0,0|2,0,0]=4 705 B13R0.657 CCC[C@H](NC(C)C(=O)OC)C(=O)N 2230a_100000729256_100000211248 [0,2,0,0,0,0|2,0,0]=4 706 B13R0.657 CCC[C@H](NC(C)C(=O)OC)C(=O)N 34a_100000729256_100000211248 [0,2,0,0,0,0|2,0,0]=4 707 B13R0.361 C=COC(=O)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100000036128 [0,2,0,0,0,0|2,0,0]=4 708 B13R0.361 C=COC(=O)CN[C@@H](CCC)C(=O)N 34a_100000729256_100000036128 [0,2,0,0,0,0|2,0,0]=4 709 B13R0.361 C=COC(=O)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000036128 [0,2,0,0,0,0|1,0,0]=3 710 B13R0.361 C=COC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000036128 [0,2,0,0,0,0|2,0,0]=4 711 B13R0.361 C=COC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000036128 [0,2,0,0,0,0|2,0,0]=4 712 B13R0.361 C=COC(=O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000036128 [0,2,0,0,0,0|2,0,0]=4 713 B13R0.361 C=COC(=O)COC(CCC)C(=O)N 34a_100011626294_100000036128 [0,2,0,0,0,0|2,0,0]=4 714 B13R0.361 CCCC(=O)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000747444 [0,2,0,0,0,0|2,0,0]=4 715 B13R0.361 CCCC(OCC(=O)NCO)C(=O)N 34a_100011626294_100000185155 [0,2,0,0,0,0|2,0,0]=4 716 B13R0.361 CCCC(OCC(=O)NCO)C(=O)N 7a_100011626294_100000185155 [0,2,0,0,0,0|2,0,0]=4 717 B13R0.361 CCCC(OCC(=O)OCC)C(=O)N 34a_100011626294_100000188475 [0,2,0,0,0,0|2,0,0]=4 718 B13R0.361 CCCC(OCC(=O)OCC)C(=O)N 7a_100011626294_100000188475 [0,2,0,0,0,0|2,0,0]=4 719 B13R0.361 CCC[C@H](NCC(=O)NCC)C(=O)O 269956a_100000750406_100000183381 [0,2,0,0,0,0|2,0,0]=4 720 B13R0.361 CCC[C@H](NCC(=O)NCO)C(=O)N 2230a_100000729256_100000185155 [0,2,0,0,0,0|2,0,0]=4 721 B13R0.361 CCC[C@H](NCC(=O)NCO)C(=O)N 34a_100000729256_100000185155 [0,2,0,0,0,0|2,0,0]=4 722 B13R0.361 CCC[C@H](NCC(=O)NCO)C(=O)O 269956a_100000750406_100000185155 [0,2,0,0,0,0|1,0,0]=3 723 B13R0.361 CCC[C@H](NCC(=O)OCC)C(=O)N 2230a_100000729256_100000188475 [0,2,0,0,0,0|2,0,0]=4 724 B13R0.361 CCC[C@H](NCC(=O)OCC)C(=O)N 34a_100000729256_100000188475 [0,2,0,0,0,0|2,0,0]=4 725 B13R0.361 CCC[C@H](NCC(=O)OCC)C(=O)O 269956a_100000750406_100000188475 [0,2,0,0,0,0|1,0,0]=3 726 B13R0.361 CCOC(=O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000188475 [0,2,0,0,0,0|2,0,0]=4 727 B13R0.361 CCOC(=O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000188475 [0,2,0,0,0,0|2,0,0]=4 728 B13R0.361 CCOC(=O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000188475 [0,2,0,0,0,0|2,0,0]=4 729 B13R0.361 COC[C@@H](NCC(=O)NCO)C(=O)O 269956a_100011998655_100000185155 [0,2,0,0,0,0|2,0,0]=4 730 B13R0.361 CSC[C@H](NCC(=O)NCO)C(=O)O 269956a_100011421858_100000185155 [0,2,0,0,0,0|2,0,0]=4 731 B13R0.361 C[Se]C[C@H](NCC(=O)NCO)C(=O)O 269956a_100015254316_100000185155 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.81 CCNC1CCC(=O)NC1=O 2230a_100000691121_100000210202 [1,0,0,1,0,0|2,0,0]=4 733 B11R1.81 CCNC1CCC(=O)NC1=O 2230a_100015525214_100000694648 [1,0,0,1,0,0|2,0,0]=4 734 B11R1.81 CCNC1CCC(=O)NC1=O 34a_100000691121_100000210202 [1,0,0,1,0,0|2,0,0]=4 735 B11R1.81 CCSC1CCC(=O)NC1=O 62a_100000210202_100000694648 [1,0,0,1,0,0|2,0,0]=4 736 B11R1.81 CCSC1CCC(=O)NC1=O 62a_100000694648_100000210202 [1,0,0,1,0,0|2,0,0]=4 737 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [1,0,0,1,0,0|2,0,0]=4 738 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [1,0,0,1,0,0|2,0,0]=4 739 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [1,0,0,1,0,0|2,0,0]=4 740 B11R1.90 CC(=O)COC1CCCC1=O 34a_100000211253_100000709159 [1,0,0,1,0,0|2,0,0]=4 741 B11R1.90 NC(=O)CNC1CCCC1=O 2230a_100000711301_100000211823 [1,0,0,1,0,0|2,0,0]=4 742 B11R1.90 NC(=O)COC1CCCC1=O 34a_200000719330_100000187820 [1,0,0,1,0,0|2,0,0]=4 743 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000211823_100000747473 [1,0,0,1,0,0|2,0,0]=4 744 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000747473_100000211823 [1,0,0,1,0,0|2,0,0]=4 745 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [1,0,0,1,0,0|1,0,0]=3 746 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [1,0,0,1,0,0|1,0,1]=4 747 B11R1.90 O=C([O-])COC1CCCC1=O 34a_200000719330_100020667443 [1,0,0,1,0,0|1,0,1]=4 748 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100000211823_100020667443 [1,0,0,1,0,0|1,0,1]=4 749 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100020667443_100000211823 [1,0,0,1,0,0|1,0,1]=4 750 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [1,0,0,1,0,0|2,0,0]=4 751 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [1,0,0,1,0,0|2,0,0]=4 752 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [1,0,0,1,0,0|2,0,0]=4 753 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [1,0,0,1,0,0|1,0,1]=4 754 B11R1.124 CCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210202 [1,0,0,1,0,0|2,0,0]=4 755 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [1,0,0,1,0,0|2,0,0]=4 756 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [1,0,0,1,0,0|2,0,0]=4 757 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [1,0,0,1,0,0|2,0,0]=4 758 B11R1.708 O=C([O-])CN1CCC1C(=O)O 269956a_100000021838_100020667443 [1,0,0,1,0,0|1,0,1]=4 759 B11R1.1391 CC(=O)C1(CC1)NCC(=O)O 269956a_100016091260_100000086384 [1,0,0,1,0,0|2,0,0]=4 760 B11R1.1391 NC(=O)CNC1(CC1)C(=O)O 269956a_100000746478_100000187820 [1,0,0,1,0,0|2,0,0]=4 761 B11R1.1391 O=C([O-])CNC1(CC1)C(=O)O 269956a_100000746478_100020667443 [1,0,0,1,0,0|1,0,1]=4 762 B11R1.17 O=CCNC1CCCNC1=O 2230a_100000747585_200015260668 [1,0,0,1,0,0|2,0,0]=4 763 B11R1.17 O=CCNC1CCCNC1=O 34a_100000747585_200009817547 [1,0,0,1,0,0|2,0,0]=4 764 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [1,0,0,1,0,0|2,0,0]=4 765 B11R1.17 O=CCOC1CCCNC1=O 34a_100000073722_200009817547 [1,0,0,1,0,0|2,0,0]=4 766 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [1,0,0,1,0,0|2,0,0]=4 767 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [1,0,0,1,0,0|2,0,0]=4 768 B11R1.17 O=CCSC1CCCNC1=O 62a_100000687798_200015260668 [1,0,0,1,0,0|2,0,0]=4 769 B11R1.17 O=CCSC1CCCNC1=O 62a_200015260668_100000687798 [1,0,0,1,0,0|2,0,0]=4 770 B11R1.21 CC(=O)C1CCC(=O)N(C1)C 1458a_100011430921_200000210301 [1,0,0,1,0,0|2,0,0]=4 771 B11R1.21 CN1CC(CCC1=O)C(=O)[13CH3] 1458a_100011430921_200025704644 [1,0,0,1,0,0|2,0,0]=4 772 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [1,0,0,1,0,0|2,0,0]=4 773 B11R1.193 NC(=O)[C@@H]1CCCN1CC=O 2230a_100000003125_200015260668 [1,0,0,1,0,0|2,0,0]=4 774 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [1,0,0,1,0,0|1,0,1]=4 775 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [1,0,0,1,0,0|1,0,0]=3 776 B11R1.193 O=CCN1CCSC1C(=O)O 269956a_100000035718_200015260668 [1,0,0,1,0,0|2,0,0]=4 777 B11R1.193 O=CCN1CSC[C@H]1C(=O)O 269956a_100000743924_200015260668 [1,0,0,1,0,0|2,0,0]=4 778 B11R1.230 C=CCNC1CC(OC1=O)C 2230a_100020586998_200000216747 [1,0,0,1,0,0|2,0,0]=4 779 B11R1.230 C=CCOC1CC(OC1=O)C 34a_200000210373_200000216747 [1,0,0,1,0,0|2,0,0]=4 780 B11R1.230 C=CCSC1CC(OC1=O)C 62a_100000210623_200000216747 [1,0,0,1,0,0|2,0,0]=4 781 B11R1.230 C=CCSC1CC(OC1=O)C 62a_200000216747_100000210623 [1,0,0,1,0,0|2,0,0]=4 782 B11R1.230 CC1CC(C(=O)O1)NCCO 2230a_100016997473_200000216747 [1,0,0,1,0,0|1,0,1]=4 783 B11R1.230 CC1CC(C(=O)O1)NCCO 34a_100016990907_200000216747 [1,0,0,1,0,0|1,0,1]=4 784 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200000216747_200015260668 [1,0,0,1,0,0|1,0,0]=3 785 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200015260668_200000216747 [1,0,0,1,0,0|1,0,0]=3 786 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_100000211926_200000216747 [1,0,0,1,0,0|1,0,1]=4 787 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_200000216747_100000211926 [1,0,0,1,0,0|1,0,1]=4 788 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [1,0,0,1,0,0|2,0,0]=4 789 B11R1.905 C=CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210623 [1,0,0,1,0,0|2,0,0]=4 790 B11R1.905 O=C(O)C1(CCC1)NCCO 269956a_100000688724_100000211926 [1,0,0,1,0,0|1,0,1]=4 791 B11R1.905 O=CCNC1(CCC1)C(=O)O 269956a_100000688724_200015260668 [1,0,0,1,0,0|1,0,0]=3 792 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 11a_100000749473_100015343762 [0,0,0,1,0,1|2,0,0]=4 793 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 1626a_100000749473_100015343762 [0,0,0,1,0,1|2,0,0]=4 794 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 240690a_100000749473_100015343762 [0,0,0,1,0,1|2,0,0]=4 795 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 527a_100000749473_100103153847 [0,0,0,1,0,1|2,0,0]=4 796 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000053229 [0,0,0,1,0,1|2,0,0]=4 797 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000744528 [0,0,0,1,0,1|2,0,0]=4 798 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [0,0,0,1,0,1|2,0,0]=4 799 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [0,0,0,1,0,1|2,0,0]=4 800 B13R1.158 CC(=O)CCOC1CCCNC1=O 34a_100000759926_100000687798 [0,0,0,1,0,1|2,0,0]=4 801 B13R1.158 CC(=O)CCOC1CCCNC1=O 7a_100000759926_100000687798 [0,0,0,1,0,1|2,0,0]=4 802 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [0,0,0,1,0,1|2,0,0]=4 803 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [0,0,0,1,0,1|2,0,0]=4 804 B13R1.158 CC(=O)CCSC1CCCNC1=O 62a_100000053229_100000687798 [0,0,0,1,0,1|2,0,0]=4 805 B13R1.158 CC(=O)CCSC1CCCNC1=O 62a_100000687798_100000053229 [0,0,0,1,0,1|2,0,0]=4 806 B13R1.158 NC(=O)CCNC1CCCNC1=O 2230a_100000747585_100000744528 [0,0,0,1,0,1|2,0,0]=4 807 B13R1.158 NC(=O)CCNC1CCCNC1=O 34a_100000747585_100000731001 [0,0,0,1,0,1|2,0,0]=4 808 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100000757172_100000754470 [0,0,0,1,0,1|2,0,0]=4 809 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100011214950_100000731001 [0,0,0,1,0,1|2,0,0]=4 810 B13R1.158 NC(=O)CCOC1CCCCC1=O 7a_100000757172_100000204591 [0,0,0,1,0,1|2,0,0]=4 811 B13R1.158 NC(=O)CCOC1CCCNC1=O 34a_100000073722_100000731001 [0,0,0,1,0,1|2,0,0]=4 812 B13R1.158 NC(=O)CCOC1CCCNC1=O 34a_100000757172_100000687798 [0,0,0,1,0,1|2,0,0]=4 813 B13R1.158 NC(=O)CCOC1CCCNC1=O 7a_100000757172_100000687798 [0,0,0,1,0,1|2,0,0]=4 814 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000204591_100000744528 [0,0,0,1,0,1|2,0,0]=4 815 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000744528_100000204591 [0,0,0,1,0,1|2,0,0]=4 816 B13R1.158 NC(=O)CCSC1CCCNC1=O 62a_100000687798_100000744528 [0,0,0,1,0,1|2,0,0]=4 817 B13R1.158 NC(=O)CCSC1CCCNC1=O 62a_100000744528_100000687798 [0,0,0,1,0,1|2,0,0]=4 818 B13R1.158 NC(=O)COCC1CCCCC1=O 34a_100009861125_100000187820 [0,0,0,1,0,1|2,0,0]=4 819 B13R1.158 NC(=O)COCC1CCCCC1=O 7a_100009861125_100000187820 [0,0,0,1,0,1|2,0,0]=4 820 B13R1.158 O=C(O)CONC1CCCCC1=O 269956a_100000106656_100000204591 [0,0,0,1,0,1|2,0,0]=4 821 B13R1.158 O=C(O)CONC1CCCNC1=O 269956a_100000106656_100000687798 [0,0,0,1,0,1|2,0,0]=4 822 B13R1.158 O=C([O-])COCC1CCCCC1=O 34a_100009861125_100020667443 [0,0,0,1,0,1|1,0,1]=4 823 B13R1.1383 CCC[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000750406_100009894365 [0,0,0,1,0,1|1,0,0]=3 824 B13R1.1383 COC[C@@H](NC1CC(=O)C1)C(=O)O 269956a_100011998655_100009894365 [0,0,0,1,0,1|2,0,0]=4 825 B13R1.1383 CSC[C@H](NC1CC(=O)C1)C(=O)O 269956a_100011421858_100009894365 [0,0,0,1,0,1|2,0,0]=4 826 B13R1.1383 C[Se]C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100015254316_100009894365 [0,0,0,1,0,1|2,0,0]=4 827 B13R1.2592 CCC[C@H](NCCC1CO1)C(=O)O 269956a_100000750406_100000732470 [0,0,0,1,0,1|1,0,1]=4 828 B13R1.3485 C=C(Br)CCOC1CC(OC1=O)C 34a_100009813270_200000216747 [0,0,0,1,0,1|2,0,0]=4 829 B13R1.3485 C=C(C)CCOC1CC(OC1=O)C 34a_100000764851_200000216747 [0,0,0,1,0,1|2,0,0]=4 830 B13R1.3485 C=C(C)CCSC1CC(OC1=O)C 62a_100000730704_200000216747 [0,0,0,1,0,1|2,0,0]=4 831 B13R1.3485 C=C(C)CCSC1CC(OC1=O)C 62a_200000216747_100000730704 [0,0,0,1,0,1|2,0,0]=4 832 B13R1.3485 CC(=O)CCOC1CC(OC1=O)C 34a_100000759926_200000216747 [0,0,0,1,0,1|1,0,0]=3 833 B13R1.3485 CC(=O)CCOC1CC(OC1=O)C 7a_100000759926_200000216747 [0,0,0,1,0,1|1,0,0]=3 834 B13R1.3485 CC(=O)CCSC1CC(OC1=O)C 62a_100000053229_200000216747 [0,0,0,1,0,1|1,0,0]=3 835 B13R1.3485 CC(=O)CCSC1CC(OC1=O)C 62a_200000216747_100000053229 [0,0,0,1,0,1|1,0,0]=3 836 B13R1.3485 CC(=O)OCSC1CC(OC1=O)C 62a_100000076356_200000216747 [0,0,0,1,0,1|2,0,0]=4 837 B13R1.3485 CC(=O)OCSC1CC(OC1=O)C 62a_200000216747_100000076356 [0,0,0,1,0,1|2,0,0]=4 838 B13R1.3485 CC(O)CCNC1CC(OC1=O)C 2230a_200000755665_200000216747 [0,0,0,1,0,1|1,0,1]=4 839 B13R1.3485 CC(O)CCSC1CC(OC1=O)C 62a_100012276601_200000216747 [0,0,0,1,0,1|1,0,1]=4 840 B13R1.3485 CC(O)CCSC1CC(OC1=O)C 62a_200000216747_100012276601 [0,0,0,1,0,1|1,0,1]=4 841 B13R1.3485 CC1CC(C(=O)O1)OCCC(=O)N 34a_100000757172_200000216747 [0,0,0,1,0,1|1,0,0]=3 842 B13R1.3485 CC1CC(C(=O)O1)OCCC(=O)N 7a_100000757172_200000216747 [0,0,0,1,0,1|1,0,0]=3 843 B13R1.3485 CC1CC(C(=O)O1)SCCC(=O)N 62a_100000744528_200000216747 [0,0,0,1,0,1|1,0,0]=3 844 B13R1.3485 CC1CC(C(=O)O1)SCCC(=O)N 62a_200000216747_100000744528 [0,0,0,1,0,1|1,0,0]=3 845 B13R1.8671 C=C(C)CCNC1(CCC1)C(=O)O 269956a_100000688724_100000730704 [0,0,0,1,0,1|2,0,0]=4 846 B13R1.8671 C=C(C)CNCC1(CCC1)C(=O)O 269956a_100000729485_100000748629 [0,0,0,1,0,1|2,0,0]=4 847 B13R1.8671 C=C(F)CNCC1(CCC1)C(=O)O 269956a_100000729485_100000042424 [0,0,0,1,0,1|2,0,0]=4 848 B13R1.8671 CC(=O)CCNC1(CCC1)C(=O)O 269956a_100000688724_100000053229 [0,0,0,1,0,1|1,0,0]=3 849 B13R1.8671 CC(=O)OCNC1(CCC1)C(=O)O 269956a_100000688724_100000076356 [0,0,0,1,0,1|2,0,0]=4 850 B13R1.8671 CC(O)CCNC1(CCC1)C(=O)O 269956a_100000688724_100012276601 [0,0,0,1,0,1|1,0,1]=4 851 B13R1.8671 CC(O)CNCC1(CCC1)C(=O)O 269956a_100000729485_100011218427 [0,0,0,1,0,1|1,0,1]=4 852 B13R1.8671 C[C@@H](O)CNCC1(CCC1)C(=O)O 269956a_100000729485_100009817552 [0,0,0,1,0,1|1,0,1]=4 853 B13R1.8671 NC(=O)CCNC1(CCC1)C(=O)O 269956a_100000688724_100000744528 [0,0,0,1,0,1|1,0,0]=3 854 B13R1.8671 NC(=O)CNCC1(CCC1)C(=O)O 269956a_100000729485_100000187820 [0,0,0,1,0,1|1,0,0]=3 855 B13R1.8671 O=C(O)C1(CCC1)CNC[N+](=O)[O-] 269956a_100000729485_100000761209 [0,0,0,1,0,1|1,0,1]=4 856 B13R1.8671 O=C([O-])CNCC1(CCC1)C(=O)O 269956a_100000729485_100020667443 [0,0,0,1,0,1|0,0,1]=3 857 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,1,0,1,0,0|2,0,0]=4 858 B13R1.280 O=C(O)CNC1CCCCNC1=O 269956a_100016091260_100000735217 [0,1,0,1,0,0|2,0,0]=4 859 B13R1.543 COC(=O)C1CCCC(C1)C(=O)C 1458a_100011331962_200000210301 [0,1,0,1,0,0|1,0,0]=3 860 B13R1.543 COC(=O)C1CCCC(C1)C(=O)[13CH3] 1458a_100011331962_200025704644 [0,1,0,1,0,0|1,0,0]=3 861 B13R1.543 COC(=O)N1CCCC(C1)C(=O)C 1458a_100000236103_200000210301 [0,1,0,1,0,0|2,0,0]=4 862 B13R1.543 COC(=O)N1CCCC(C1)C(=O)[13CH3] 1458a_100000236103_200025704644 [0,1,0,1,0,0|2,0,0]=4 863 B13R1.543 COC(=O)[C@H]1CCCN(C1)C(=O)C 240690a_100016988859_100015343762 [0,1,0,1,0,0|2,0,0]=4 864 B13R1.543 NC(=O)C1CCCN(C1)C(=O)CO 240690a_100000195536_100000210174 [0,1,0,1,0,0|2,0,0]=4 865 B13R1.551 COC(=O)[C@@H]1CCCN1CC(=O)N 2230a_100000752040_100000747473 [0,1,0,1,0,0|2,0,0]=4 866 B13R1.551 COC(=O)[C@@H]1CCCN1CC(=O)N 269982a_100000752040_100000187820 [0,1,0,1,0,0|2,0,0]=4 867 B13R1.551 COC(=O)[C@@H]1CCCN1CC(=O)[O-] 269982a_100000752040_100020667443 [0,1,0,1,0,0|1,0,1]=4 868 B13R1.1830 COC(=O)C1(CCC1)CNC(=O)C 188690a_100016988905_100015343762 [0,1,0,1,0,0|2,0,0]=4 869 B13R1.1830 COC(=O)C1(CCC1)OCC(=O)C 34a_100000211253_100000694912 [0,1,0,1,0,0|2,0,0]=4 870 B13R1.1830 COC(=O)C1(CCC1)OCC(=O)N 34a_100000702008_100000187820 [0,1,0,1,0,0|2,0,0]=4 871 B13R1.1830 COC(=O)C1(CCC1)OCC(=O)N 7a_100000702008_100000187820 [0,1,0,1,0,0|2,0,0]=4 872 B13R1.1830 COC(=O)C1(CCC1)OCC(=O)[O-] 34a_100000702008_100020667443 [0,1,0,1,0,0|1,0,1]=4 873 B13R1.1830 COC(=O)C1(CCC1)SCC(=O)N 62a_100000694912_100000747473 [0,1,0,1,0,0|2,0,0]=4 874 B13R1.1830 COC(=O)C1(CCC1)SCC(=O)N 62a_100000747473_100000694912 [0,1,0,1,0,0|2,0,0]=4 875 B13R1.1830 COC(=O)C1(CCC1)SCC(=O)[O-] 62a_100000694912_100020667443 [0,1,0,1,0,0|1,0,1]=4 876 B13R1.1830 COC(=O)C1(CCC1)SCC(=O)[O-] 62a_100020667443_100000694912 [0,1,0,1,0,0|1,0,1]=4 877 B13R1.7018 COC(=O)C(NCC(=O)N)C1CC1 2230a_100000711301_100016157471 [0,1,0,1,0,0|2,0,0]=4 878 B13R1.7018 COC(=O)C(OCC(=O)C)C1CC1 34a_100000211253_100016157471 [0,1,0,1,0,0|2,0,0]=4 879 B13R1.7018 COC(=O)C(SCC(=O)N)C1CC1 62a_100000747473_100016157471 [0,1,0,1,0,0|2,0,0]=4 880 B13R1.7018 COC(=O)C(SCC(=O)N)C1CC1 62a_100016157471_100000747473 [0,1,0,1,0,0|2,0,0]=4 881 B13R1.7018 COC(=O)C(SCC(=O)[O-])C1CC1 62a_100016157471_100020667443 [0,1,0,1,0,0|1,0,1]=4 882 B13R1.7018 COC(=O)C(SCC(=O)[O-])C1CC1 62a_100020667443_100016157471 [0,1,0,1,0,0|1,0,1]=4 883 B13R1.356 CCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210207 [0,1,0,1,0,0|1,0,1]=4 884 B13R1.589 NC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000187820 [0,1,0,1,0,0|2,0,0]=4 885 B13R1.589 NC(=O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000187820 [0,1,0,1,0,0|2,0,0]=4 886 B13R1.589 NC(=O)CN1CCSCC1C(=O)O 269956a_100011346106_100000187820 [0,1,0,1,0,0|2,0,0]=4 887 B13R1.589 NC(=O)CN1CSCCC1C(=O)O 269956a_100015185162_100000187820 [0,1,0,1,0,0|2,0,0]=4 888 B13R1.589 O=C([O-])CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100020667443 [0,1,0,1,0,0|1,0,1]=4 889 B13R1.589 O=C([O-])CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100020667443 [0,1,0,1,0,0|1,0,1]=4 890 B13R1.589 O=C([O-])CN1CCSCC1C(=O)O 269956a_100011346106_100020667443 [0,1,0,1,0,0|1,0,1]=4 891 B13R1.589 O=C([O-])CN1CSCCC1C(=O)O 269956a_100015185162_100020667443 [0,1,0,1,0,0|1,0,1]=4 892 B13R1.5191 CS(=O)CC[C@H](NC1CC1)C(=O)O 269956a_100015235763_100000211595 [0,1,0,1,0,0|2,0,0]=4 893 B13R1.5191 NC(=O)CC[C@H](NC1CC1)C(=O)N 34a_200000143477_100000211595 [0,1,0,1,0,0|2,0,0]=4 894 B13R1.7749 NC(=O)CNC(C(=O)O)C1CCC1 269956a_100000765838_100000187820 [0,1,0,1,0,0|2,0,0]=4 895 B13R1.7749 O=C([O-])CNC(C(=O)O)C1CCC1 269956a_100000765838_100020667443 [0,1,0,1,0,0|1,0,1]=4 896 B13R1.8685 NC(=O)CNC1(CCCC1)C(=O)O 269956a_100000739329_100000187820 [0,1,0,1,0,0|2,0,0]=4 897 B13R1.8685 O=C([O-])CNC1(CCCC1)C(=O)O 269956a_100000739329_100020667443 [0,1,0,1,0,0|1,0,1]=4 898 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000187820 [0,1,0,1,0,0|2,0,0]=4 899 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000187820 [0,1,0,1,0,0|2,0,0]=4 900 B13R1.3487 O=C([O-])CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100020667443 [0,1,0,1,0,0|1,0,1]=4 901 B13R1.3487 O=C([O-])CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100020667443 [0,1,0,1,0,0|1,0,1]=4 902 B13R1.540 COC(=O)[C@@H]1CN(C[C@H]1C)C(=O)C 240690a_202516457430_100015343762 [0,1,0,1,0,0|2,0,0]=4 903 B13R1.202 C[C@H](NC1CCCCC1=O)C(=O)O 269956a_100000743915_100000204591 [0,1,0,1,0,0|2,0,0]=4 904 B13R1.202 C[C@H](NC1CCCNC1=O)C(=O)O 269956a_100000743915_100000687798 [0,1,0,1,0,0|2,0,0]=4 905 B13R1.350 CC(=O)C(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009814033 [0,1,0,1,0,0|2,0,0]=4 906 B13R1.1336 CCC[C@H](NC1CCC1=O)C(=O)O 269956a_100000750406_100009892977 [0,1,0,1,0,0|2,0,0]=4 907 B13R1.3481 CC(=O)C(C)OC1CC(OC1=O)C 34a_100000212229_200000216747 [0,1,0,1,0,0|2,0,0]=4 908 B13R1.3481 CC(=O)C(C)SC1CC(OC1=O)C 62a_100009814033_200000216747 [0,1,0,1,0,0|2,0,0]=4 909 B13R1.3481 CC(=O)C(C)SC1CC(OC1=O)C 62a_200000216747_100009814033 [0,1,0,1,0,0|2,0,0]=4 910 B13R1.3481 CC1CC(C(=O)O1)N[C@H](C)C(=O)N 2230a_100000119354_200000216747 [0,1,0,1,0,0|2,0,0]=4 911 B13R1.3481 CC1CC(C(=O)O1)N[C@H](C)C(=O)N 34a_100000119354_200000216747 [0,1,0,1,0,0|2,0,0]=4 912 B13R1.3481 CC1CC(C(=O)O1)O[C@@H](C)C(=O)[O-] 7a_217856618621_200000216747 [0,1,0,1,0,0|1,0,1]=4 913 B13R1.3481 CC1CC(C(=O)O1)O[C@H](C)C(=O)N 34a_100000731257_200000216747 [0,1,0,1,0,0|2,0,0]=4 914 B13R1.3481 CC1CC(C(=O)O1)O[C@H](C)C(=O)N 7a_100000731257_200000216747 [0,1,0,1,0,0|2,0,0]=4 915 B13R1.3481 CC1CC(C(=O)O1)SC(C)C(=O)N 62a_100000702099_200000216747 [0,1,0,1,0,0|2,0,0]=4 916 B13R1.3481 CC1CC(C(=O)O1)SC(C)C(=O)N 62a_200000216747_100000702099 [0,1,0,1,0,0|2,0,0]=4 917 B13R1.3481 CC1CC(C(=O)O1)SC(F)C(=O)N 62a_100009813875_200000216747 [0,1,0,1,0,0|2,0,0]=4 918 B13R1.3481 CC1CC(C(=O)O1)SC(F)C(=O)N 62a_200000216747_100009813875 [0,1,0,1,0,0|2,0,0]=4 919 B13R1.3481 CC1CC(C(=O)O1)SC(F)C(=O)[O-] 62a_100020610796_200000216747 [0,1,0,1,0,0|1,0,1]=4 920 B13R1.3481 CC1CC(C(=O)O1)SC(F)C(=O)[O-] 62a_200000216747_100020610796 [0,1,0,1,0,0|1,0,1]=4 921 B13R1.6155 CC(=O)C(C)NC1(CCC1)C(=O)O 269956a_100000688724_100009814033 [0,1,0,1,0,0|2,0,0]=4 922 B13R1.528 COC(=O)CNC1CCCNC1=O 2230a_100000747585_100000747449 [0,1,0,1,0,0|2,0,0]=4 923 B13R1.528 COC(=O)CNC1CCCNC1=O 34a_100000747585_100000747449 [0,1,0,1,0,0|2,0,0]=4 924 B13R1.528 COC(=O)COC1CCCCC1=O 34a_100011214950_100000747449 [0,1,0,1,0,0|2,0,0]=4 925 B13R1.528 COC(=O)COC1CCCNC1=O 34a_100000073722_100000747449 [0,1,0,1,0,0|2,0,0]=4 926 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000204591_100000747449 [0,1,0,1,0,0|2,0,0]=4 927 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000747449_100000204591 [0,1,0,1,0,0|2,0,0]=4 928 B13R1.528 COC(=O)CSC1CCCNC1=O 62a_100000687798_100000747449 [0,1,0,1,0,0|2,0,0]=4 929 B13R1.528 COC(=O)CSC1CCCNC1=O 62a_100000747449_100000687798 [0,1,0,1,0,0|2,0,0]=4 930 B13R1.596 CCC(=O)COC1CC(OC1=O)C 34a_100000725409_200000216747 [0,1,0,1,0,0|2,0,0]=4 931 B13R1.596 CCC(=O)CSC1CC(OC1=O)C 62a_100000747405_200000216747 [0,1,0,1,0,0|2,0,0]=4 932 B13R1.596 CCC(=O)CSC1CC(OC1=O)C 62a_200000216747_100000747405 [0,1,0,1,0,0|2,0,0]=4 933 B13R1.596 CNC(=O)CNC1CC(OC1=O)C 2230a_100000693194_200000216747 [0,1,0,1,0,0|2,0,0]=4 934 B13R1.596 CNC(=O)COC1CC(OC1=O)C 34a_100000750040_200000216747 [0,1,0,1,0,0|2,0,0]=4 935 B13R1.596 CNC(=O)CSC1CC(OC1=O)C 62a_100000183359_200000216747 [0,1,0,1,0,0|2,0,0]=4 936 B13R1.596 CNC(=O)CSC1CC(OC1=O)C 62a_200000216747_100000183359 [0,1,0,1,0,0|2,0,0]=4 937 B13R1.596 COC(=O)CSC1CC(OC1=O)C 62a_100000747449_200000216747 [0,1,0,1,0,0|1,0,0]=3 938 B13R1.596 COC(=O)CSC1CC(OC1=O)C 62a_200000216747_100000747449 [0,1,0,1,0,0|1,0,0]=3 939 B13R1.1855 COC(=O)CCN(C(=O)C)C1CC1 11a_100000177890_100015343762 [0,1,0,1,0,0|2,0,0]=4 940 B13R1.1855 COC(=O)CCN(C(=O)C)C1CC1 1626a_100000177890_100015343762 [0,1,0,1,0,0|2,0,0]=4 941 B13R1.1855 COC(=O)CCN(C(=O)C)C1CC1 240690a_100000177890_100015343762 [0,1,0,1,0,0|2,0,0]=4 942 B13R1.1855 COC(=O)CCN(C(=O)C)C1CC1 527a_100000177890_100103153847 [0,1,0,1,0,0|2,0,0]=4 943 B13R1.2046 CCC(=O)CNC1(CCC1)C(=O)O 269956a_100000688724_100000747405 [0,1,0,1,0,0|2,0,0]=4 944 B13R1.2046 CNC(=O)CNC1(CCC1)C(=O)O 269956a_100000688724_100000183359 [0,1,0,1,0,0|2,0,0]=4 945 B13R1.2046 COC(=O)CNC1(CCC1)C(=O)O 269956a_100000688724_100000747449 [0,1,0,1,0,0|1,0,0]=3 946 B13R1.2880 CCC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000747405 [0,1,0,1,0,0|2,0,0]=4 947 B13R1.2880 CNC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000183359 [0,1,0,1,0,0|2,0,0]=4 948 B13R1.2880 COC(=O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000747449 [0,1,0,1,0,0|2,0,0]=4 949 B13R1.2880 COC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000747449 [0,1,0,1,0,0|1,0,0]=3 950 B13R1.2880 COC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000747449 [0,1,0,1,0,0|2,0,0]=4 951 B13R1.2880 COC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000747449 [0,1,0,1,0,0|2,0,0]=4 952 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 11a_100025726698_100015343762 [0,1,0,1,0,0|2,0,0]=4 953 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 1626a_100025726698_100015343762 [0,1,0,1,0,0|2,0,0]=4 954 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 240690a_100025726698_100015343762 [0,1,0,1,0,0|2,0,0]=4 955 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 527a_100025726698_100103153847 [0,1,0,1,0,0|2,0,0]=4 956 B13R1.201 CN(CC(=O)O)C1CCCCC1=O 269956a_100000746989_100000204591 [0,1,0,1,0,0|2,0,0]=4 957 B13R1.201 CN(CC(=O)O)C1CCCNC1=O 269956a_100000746989_100000687798 [0,1,0,1,0,0|2,0,0]=4 958 B13R1.3465 CC1CC(C(=O)O1)C(=O)CC(=O)N 1458a_100134613110_200000216747 [0,1,0,1,0,0|1,0,1]=4 959 B13R1.3465 CC1CC(C(=O)O1)N(C)CC(=O)N 2230a_100000739694_200000216747 [0,1,0,1,0,0|2,0,0]=4 960 B13R1.2025 C[C@]1(CCCN1CC(=O)N)C(=O)O 269956a_100009816582_100000187820 [0,1,0,1,0,0|2,0,0]=4 961 B13R1.2025 C[C@]1(CCCN1CC(=O)[O-])C(=O)O 269956a_100009816582_100020667443 [0,1,0,1,0,0|1,0,1]=4 962 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [1,0,0,0,1,0|1,0,1]=4 963 B11R0.45 C=CC(CCC)OCCC(=O)C 7a_100011216692_100000053229 [1,0,0,0,0,1|2,0,0]=4 964 B11R0.45 C=CC(CCC)OCCC(=O)N 34a_100011216692_100000731001 [1,0,0,0,0,1|2,0,0]=4 965 B11R0.45 C=CC(CCC)OCCC(=O)N 7a_100011216692_100000744528 [1,0,0,0,0,1|2,0,0]=4 966 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 2230a_100000732646_100000744528 [1,0,0,0,0,1|1,0,1]=4 967 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 34a_100000732646_100000731001 [1,0,0,0,0,1|1,0,1]=4 968 B11R0.273 C=C(C)CCN[C@H](CC)C(=O)O 269956a_100000747097_100000730704 [1,0,0,0,0,1|2,0,0]=4 969 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [1,0,0,0,0,1|2,0,0]=4 970 B11R0.273 CCC(NCCC(=O)N)C(=O)N 2230a_100000733705_100000744528 [1,0,0,0,0,1|2,0,0]=4 971 B11R0.273 CCC(NCCC(=O)N)C(=O)N 34a_100000733705_100000731001 [1,0,0,0,0,1|2,0,0]=4 972 B11R0.273 CCC(NOCC(=O)O)C(=O)N 269956a_100000106656_200011216081 [1,0,0,0,0,1|2,0,0]=4 973 B11R0.273 CCC(OCCC(=O)C)C(=O)N 34a_100000759926_100000750255 [1,0,0,0,0,1|2,0,0]=4 974 B11R0.273 CCC(OCCC(=O)C)C(=O)N 7a_100000759926_100000750255 [1,0,0,0,0,1|2,0,0]=4 975 B11R0.273 CCC(OCCC(=O)N)C(=O)N 34a_100000757172_100000750255 [1,0,0,0,0,1|2,0,0]=4 976 B11R0.273 CCC(OCCC(=O)N)C(=O)N 7a_100000757172_100000750255 [1,0,0,0,0,1|2,0,0]=4 977 B11R0.273 CCC(SCCC(=O)C)C(=O)N 62a_100000053229_100000750255 [1,0,0,0,0,1|2,0,0]=4 978 B11R0.273 CCC(SCCC(=O)C)C(=O)N 62a_100000750255_100000053229 [1,0,0,0,0,1|2,0,0]=4 979 B11R0.273 CCC(SCCC(=O)N)C(=O)N 62a_100000744528_100000750255 [1,0,0,0,0,1|2,0,0]=4 980 B11R0.273 CCC(SCCC(=O)N)C(=O)N 62a_100000750255_100000744528 [1,0,0,0,0,1|2,0,0]=4 981 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [1,0,0,0,0,1|1,0,0]=3 982 B11R0.273 CC[C@@H](NCCC(=O)N)C(=O)O 269956a_100000747097_100000744528 [1,0,0,0,0,1|1,0,0]=3 983 B11R0.273 CC[C@@H](NCCC(C)O)C(=O)O 269956a_100000747097_100012276601 [1,0,0,0,0,1|1,0,1]=4 984 B11R0.273 CC[C@@H](NCOC(=O)C)C(=O)O 269956a_100000747097_100000076356 [1,0,0,0,0,1|2,0,0]=4 985 B11R0.273 NC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000744528 [1,0,0,0,0,1|2,0,0]=4 986 B13R0.329 CCCC(OCCCC(=O)C)C(=O)N 34a_100011626294_100000685027 [0,0,0,0,0,2|2,0,0]=4 987 B13R0.329 CCCC(OCCCC(=O)C)C(=O)N 7a_100011626294_100011215641 [0,0,0,0,0,2|2,0,0]=4 988 B13R0.329 CCCC(OCCCC(=O)N)C(=O)N 34a_100011626294_100102525003 [0,0,0,0,0,2|2,0,0]=4 989 B13R0.329 CCCC(OCCCC(=O)N)C(=O)N 7a_100011626294_100102525003 [0,0,0,0,0,2|2,0,0]=4 990 B13R0.329 CCCC(OCCNC(=O)C)C(=O)N 7a_100011626294_100000189650 [0,0,0,0,0,2|2,0,0]=4 991 B13R0.329 CCCC(OCCNC(=O)N)C(=O)N 7a_100011626294_200000034859 [0,0,0,0,0,2|2,0,0]=4 992 B13R0.329 CCCC(OCCOC(=O)C)C(=O)N 34a_100011626294_100009814007 [0,0,0,0,0,2|2,0,0]=4 993 B13R0.329 CCCC(OCCOC(=O)C)C(=O)N 7a_100011626294_100009814007 [0,0,0,0,0,2|2,0,0]=4 994 B13R0.329 CCCC(OCCOC(=O)N)C(=O)N 34a_100011626294_200011214921 [0,0,0,0,0,2|2,0,0]=4 995 B13R0.329 CCCC(OCCOC(=O)N)C(=O)N 7a_100011626294_200011214921 [0,0,0,0,0,2|2,0,0]=4 996 B13R0.329 CCC[C@H](NCCC=C(C)C)C(=O)O 269956a_100000750406_100011217483 [0,0,0,0,0,2|2,0,0]=4 997 B13R0.329 CCC[C@H](NCCC=C(F)F)C(=O)O 269956a_100000750406_200009816681 [0,0,0,0,0,2|2,0,0]=4 998 B13R0.329 CCC[C@H](NCCCC(=O)C)C(=O)N 34a_100000729256_100000685027 [0,0,0,0,0,2|2,0,0]=4 999 B13R0.329 CCC[C@H](NCCCC(=O)C)C(=O)O 269956a_100000750406_100011215641 [0,0,0,0,0,2|1,0,0]=3 1000 B13R0.329 CCC[C@H](NCCCC(=O)N)C(=O)N 34a_100000729256_100102525003 [0,0,0,0,0,2|2,0,0]=4 1001 B13R0.329 CCC[C@H](NCCCC(=O)N)C(=O)O 269956a_100000750406_100102525003 [0,0,0,0,0,2|1,0,0]=3 1002 B13R0.329 CCC[C@H](NCCCC(C)O)C(=O)O 269956a_100000750406_200000718107 [0,0,0,0,0,2|1,0,1]=4 1003 B13R0.329 CCC[C@H](NCCNC(=O)C)C(=O)N 2230a_100000729256_100000189650 [0,0,0,0,0,2|2,0,0]=4 1004 B13R0.329 CCC[C@H](NCCNC(=O)C)C(=O)O 269956a_100000750406_100000189650 [0,0,0,0,0,2|1,0,0]=3 1005 B13R0.329 CCC[C@H](NCCNC(=O)N)C(=O)N 2230a_100000729256_200000034859 [0,0,0,0,0,2|2,0,0]=4 1006 B13R0.329 CCC[C@H](NCCNC(=O)N)C(=O)O 269956a_100000750406_200000034859 [0,0,0,0,0,2|1,0,0]=3 1007 B13R0.329 CCC[C@H](NCCOC(=O)C)C(=O)N 34a_100000729256_100009814007 [0,0,0,0,0,2|2,0,0]=4 1008 B13R0.329 CCC[C@H](NCCOC(=O)C)C(=O)O 269956a_100000750406_100009814007 [0,0,0,0,0,2|1,0,0]=3 1009 B13R0.329 CCC[C@H](NCCOC(=O)N)C(=O)N 34a_100000729256_200011214921 [0,0,0,0,0,2|2,0,0]=4 1010 B13R0.329 COC[C@@H](NCCCC(=O)C)C(=O)O 269956a_100011998655_100011215641 [0,0,0,0,0,2|2,0,0]=4 1011 B13R0.329 COC[C@@H](NCCCC(=O)N)C(=O)O 269956a_100011998655_100102525003 [0,0,0,0,0,2|2,0,0]=4 1012 B13R0.329 COC[C@@H](NCCNC(=O)C)C(=O)O 269956a_100011998655_100000189650 [0,0,0,0,0,2|2,0,0]=4 1013 B13R0.329 COC[C@@H](NCCNC(=O)N)C(=O)O 269956a_100011998655_200000034859 [0,0,0,0,0,2|2,0,0]=4 1014 B13R0.329 COC[C@@H](NCCOC(=O)C)C(=O)O 269956a_100011998655_100009814007 [0,0,0,0,0,2|2,0,0]=4 1015 B13R0.329 CSC[C@H](NCCCC(=O)C)C(=O)O 269956a_100011421858_100011215641 [0,0,0,0,0,2|2,0,0]=4 1016 B13R0.329 CSC[C@H](NCCCC(=O)N)C(=O)O 269956a_100011421858_100102525003 [0,0,0,0,0,2|2,0,0]=4 1017 B13R0.329 CSC[C@H](NCCNC(=O)C)C(=O)O 269956a_100011421858_100000189650 [0,0,0,0,0,2|2,0,0]=4 1018 B13R0.329 CSC[C@H](NCCNC(=O)N)C(=O)O 269956a_100011421858_200000034859 [0,0,0,0,0,2|2,0,0]=4 1019 B13R0.329 CSC[C@H](NCCOC(=O)C)C(=O)O 269956a_100011421858_100009814007 [0,0,0,0,0,2|2,0,0]=4 1020 B13R0.329 C[Se]C[C@H](NCCCC(=O)C)C(=O)O 269956a_100015254316_100011215641 [0,0,0,0,0,2|2,0,0]=4 1021 B13R0.329 C[Se]C[C@H](NCCCC(=O)N)C(=O)O 269956a_100015254316_100102525003 [0,0,0,0,0,2|2,0,0]=4 1022 B13R0.329 C[Se]C[C@H](NCCNC(=O)C)C(=O)O 269956a_100015254316_100000189650 [0,0,0,0,0,2|2,0,0]=4 1023 B13R0.329 C[Se]C[C@H](NCCNC(=O)N)C(=O)O 269956a_100015254316_200000034859 [0,0,0,0,0,2|2,0,0]=4 1024 B13R0.329 C[Se]C[C@H](NCCOC(=O)C)C(=O)O 269956a_100015254316_100009814007 [0,0,0,0,0,2|2,0,0]=4