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269956a_100011421858_100000210623 [0,0,0,0,0,0|3,0,1]=4 12 B10R0.88 C=CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210623 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.88 C=CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210623 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.88 C=CCOC(CCC)C(=O)N 34a_100011626294_100015514636 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.88 C=CCOC(CCC)C(=O)N 7a_100011626294_100015514636 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.88 CC(=O)N(CCO)CCCO 240690a_200000212863_100015343762 [0,0,0,0,0,0|3,0,0]=3 17 B10R0.88 CCCC(OCC#N)C(=O)N 7a_100011626294_100011215382 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.88 CCCC(OCC=O)C(=O)N 34a_100011626294_200009817547 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.88 CCCC(OCC=O)C(=O)N 7a_100011626294_200015260668 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.88 CCCC(OCCF)C(=O)N 34a_100011626294_100011217306 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.88 CCCC(OCCF)C(=O)N 7a_100011626294_100011217306 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [0,0,0,0,0,0|2,0,0]=2 23 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [0,0,0,0,0,0|2,0,0]=2 24 B10R0.88 CCCC(OCCO)C(C)C 34a_200011215069_100000211926 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.88 CCCC(OCCO)C(C)C 7a_200011215069_100000211926 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.88 CCCC(OCSC)C(=O)N 34a_100011626294_100011218213 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,0,0,0,0,0|2,0,0]=2 28 B10R0.88 CCCCC(CCC)N(C)C 269982a_100102631434_100000211913 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,0,0,0,0,0|3,0,0]=3 30 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,0,0,0,0,0|3,0,0]=3 31 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [0,0,0,0,0,0|3,0,0]=3 32 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.88 CCCCC(SCF)C(=O)N 62a_100000748834_100015361967 [0,0,0,0,0,0|4,0,0]=4 34 B10R0.88 CCCCC(SCF)C(=O)N 62a_100015361967_100000748834 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,0,0,0,0,0|3,0,0]=3 36 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,0,0,0,0,0|3,0,0]=3 37 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,0,0,0,0,0|3,0,0]=3 38 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,0,0,0,0,0|3,0,0]=3 39 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [0,0,0,0,0,0|4,0,0]=4 40 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,0,0,0,0,0|3,0,0]=3 41 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,0,0,0,0,0|3,0,0]=3 42 B10R0.88 CCCC[C@H](NCF)C(=O)N 34a_100000124899_100015361967 [0,0,0,0,0,0|4,0,0]=4 43 B10R0.88 CCCN(CCC#N)C(=O)C 11a_100000176855_100015343762 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.88 CCCN(CCC#N)C(=O)C 1626a_100000176855_100015343762 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.88 CCCN(CCC#N)C(=O)C 240690a_100000176855_100015343762 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.88 CCCN(CCCO)C(C)C 2230a_100000182298_100000210303 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.88 CCCN(CCCO)C(C)C 2230a_106256033942_100000230001 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.88 CCCN(CCCO)C(C)C 269982a_100000182298_100000210303 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.88 CCCN(CCCO)C(C)C 269982a_106256033942_100011215043 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.88 CCCN(CCOC)C(=O)C 11a_200011192371_100015343762 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.88 CCCN(CCOC)C(=O)C 1626a_200011192371_100015343762 [0,0,0,0,0,0|4,0,0]=4 52 B10R0.88 CCCN(CCOC)C(=O)C 240690a_200011192371_100015343762 [0,0,0,0,0,0|4,0,0]=4 53 B10R0.88 CCCN(CCOC)C(=O)C 527a_200011192371_100103153847 [0,0,0,0,0,0|4,0,0]=4 54 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [0,0,0,0,0,0|3,0,0]=3 55 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [0,0,0,0,0,0|3,0,0]=3 56 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,0,0,0,0,0|2,0,0]=2 57 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [0,0,0,0,0,0|3,0,0]=3 58 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [0,0,0,0,0,0|3,0,0]=3 59 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [0,0,0,0,0,0|3,0,0]=3 60 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [0,0,0,0,0,0|3,0,0]=3 61 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [0,0,0,0,0,0|3,0,0]=3 62 B10R0.88 CCC[C@H](NCC#N)C(=O)N 2230a_100000729256_100011215382 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.88 CCC[C@H](NCC#N)C(=O)O 269956a_100000750406_100011215382 [0,0,0,0,0,0|2,0,1]=3 64 B10R0.88 CCC[C@H](NCC=O)C(=O)N 2230a_100000729256_200015260668 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.88 CCC[C@H](NCC=O)C(=O)N 34a_100000729256_200009817547 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [0,0,0,0,0,0|1,0,2]=3 67 B10R0.88 CCC[C@H](NCCF)C(=O)N 2230a_100000729256_100011217306 [0,0,0,0,0,0|3,0,0]=3 68 B10R0.88 CCC[C@H](NCCF)C(=O)N 34a_100000729256_100011217306 [0,0,0,0,0,0|3,0,0]=3 69 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [0,0,0,0,0,0|2,0,0]=2 70 B10R0.88 CCC[C@H](NCCO)C(=O)N 2230a_100000729256_100000211926 [0,0,0,0,0,0|2,0,0]=2 71 B10R0.88 CCC[C@H](NCCO)C(=O)N 34a_100000729256_100000211926 [0,0,0,0,0,0|2,0,0]=2 72 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [0,0,0,0,0,0|1,0,0]=1 73 B10R0.88 CCC[C@H](NCOC)C(=O)N 2230a_100000729256_100000766300 [0,0,0,0,0,0|4,0,0]=4 74 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [0,0,0,0,0,0|3,0,0]=3 75 B10R0.88 CCC[C@H](NCSC)C(=O)N 2230a_100000729256_100011218213 [0,0,0,0,0,0|4,0,0]=4 76 B10R0.88 CCC[C@H](NCSC)C(=O)N 34a_100000729256_100011218213 [0,0,0,0,0,0|4,0,0]=4 77 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [0,0,0,0,0,0|3,0,0]=3 78 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [0,0,0,0,0,0|4,0,0]=4 79 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [0,0,0,0,0,0|4,0,0]=4 80 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,0,0,0,0,0|3,0,0]=3 81 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,0,0,0,0,0|3,0,0]=3 82 B10R0.88 COCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000766300 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.88 COCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766300 [0,0,0,0,0,0|4,0,0]=4 84 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [0,0,0,0,0,0|4,0,0]=4 85 B10R0.88 COC[C@@H](NCC#N)C(=O)O 269956a_100011998655_100011215382 [0,0,0,0,0,0|3,0,1]=4 86 B10R0.88 COC[C@@H](NCC=O)C(=O)O 269956a_100011998655_200015260668 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [0,0,0,0,0,0|3,0,0]=3 88 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [0,0,0,0,0,0|2,0,0]=2 89 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [0,0,0,0,0,0|4,0,0]=4 90 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,0,0,0,0,0|4,0,0]=4 91 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [0,0,0,0,0,0|4,0,0]=4 92 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [0,0,0,0,0,0|4,0,0]=4 93 B10R0.88 CSC[C@H](NCC#N)C(=O)O 269956a_100011421858_100011215382 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.88 CSC[C@H](NCC=O)C(=O)O 269956a_100011421858_200015260668 [0,0,0,0,0,0|2,0,2]=4 95 B10R0.88 CSC[C@H](NCCF)C(=O)O 269956a_100011421858_100011217306 [0,0,0,0,0,0|3,0,0]=3 96 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [0,0,0,0,0,0|2,0,0]=2 97 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,0,0,0,0,0|4,0,0]=4 98 B10R0.88 C[Se]C[C@H](NCC#N)C(=O)O 269956a_100015254316_100011215382 [0,0,0,0,0,0|3,0,1]=4 99 B10R0.88 C[Se]C[C@H](NCC=O)C(=O)O 269956a_100015254316_200015260668 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.88 C[Se]C[C@H](NCCF)C(=O)O 269956a_100015254316_100011217306 [0,0,0,0,0,0|3,0,0]=3 101 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [0,0,0,0,0,0|2,0,0]=2 102 B9R0.13 C#CCN[C@H](CC)C(=O)O 269956a_100000747097_100000184674 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [1,0,0,0,0,0|2,0,1]=4 104 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [1,0,0,0,0,0|1,0,2]=4 105 B9R0.13 CCC(NCCF)C(=O)N 2230a_100000733705_100011217306 [1,0,0,0,0,0|3,0,0]=4 106 B9R0.13 CCC(NCCF)C(=O)N 34a_100000724931_100000750255 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.13 CCC(NCCF)C(=O)N 34a_100000733705_100011217306 [1,0,0,0,0,0|3,0,0]=4 108 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [1,0,0,0,0,0|2,0,0]=3 109 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [1,0,0,0,0,0|2,0,0]=3 110 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [1,0,0,0,0,0|2,0,0]=3 111 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [1,0,0,0,0,0|2,0,0]=3 112 B9R0.13 CCC(OCCBr)C(=O)N 34a_100000211926_100000750255 [1,0,0,0,0,0|3,0,0]=4 113 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.13 CCC(SCCF)C(=O)N 62a_100000750255_100011217306 [1,0,0,0,0,0|3,0,0]=4 115 B9R0.13 CCC(SCCF)C(=O)N 62a_100011217306_100000750255 [1,0,0,0,0,0|3,0,0]=4 116 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [1,0,0,0,0,0|2,0,0]=3 117 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [1,0,0,0,0,0|2,0,0]=3 118 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,0,0,0,0,0|2,0,0]=3 119 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,0,0,0,0,0|2,0,0]=3 120 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,0,0,0,0,0|3,0,0]=4 122 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,0,0,0,0,0|3,0,0]=4 123 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,0,0,0,0,0|3,0,0]=4 124 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [1,0,0,0,0,0|3,0,0]=4 126 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [1,0,0,0,0,0|3,0,0]=4 128 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [1,0,0,0,0,0|3,0,0]=4 129 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [1,0,0,0,0,0|3,0,0]=4 130 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [1,0,0,0,0,0|3,0,0]=4 131 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [1,0,0,0,0,0|3,0,0]=4 132 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [1,0,0,0,0,0|3,0,0]=4 133 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,0,0,0,0,0|3,0,0]=4 136 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,0,0,0,0,0|3,0,0]=4 137 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [1,0,0,0,0,0|3,0,0]=4 138 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [1,0,0,0,0,0|3,0,0]=4 139 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,0,0,0,0,0|3,0,0]=4 140 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,0,0,0,0,0|2,0,0]=3 141 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [1,0,0,0,0,0|3,0,0]=4 142 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [1,0,0,0,0,0|3,0,0]=4 143 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [1,0,0,0,0,0|3,0,0]=4 144 B9R0.13 CC[C@@H](NCC#N)C(=O)O 269956a_100000747097_100011215382 [1,0,0,0,0,0|2,0,1]=4 145 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [1,0,0,0,0,0|1,0,2]=4 146 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,0,0,0,0,0|2,0,0]=3 147 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,0,0,0,0,0|1,0,0]=2 148 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [1,0,0,0,0,0|3,0,0]=4 149 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,0,0,0,0,0|3,0,0]=4 150 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 2230a_100161114882_100000211926 [1,0,0,0,0,0|2,0,1]=4 151 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 34a_100161114882_100000211926 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,0,0,0,0,0|3,0,0]=4 155 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,0,0,0,0,0|3,0,0]=4 156 B9R0.13 NC(=O)[C@H](CO)NCCO 2230a_100000729942_100000211926 [1,0,0,0,0,0|3,0,0]=4 157 B9R0.13 NC(=O)[C@H](CO)NCCO 34a_100000729942_100000211926 [1,0,0,0,0,0|3,0,0]=4 158 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [1,0,0,0,0,0|3,0,0]=4 159 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [1,0,0,0,0,0|2,0,0]=3 160 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [1,0,0,0,0,0|3,0,0]=4 161 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [1,0,0,0,0,0|1,0,0]=2 162 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [1,0,0,0,0,0|1,0,0]=2 163 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [1,0,0,0,0,0|1,0,0]=2 164 B9R0.15 CCCC(CCC)N(C)C 269982a_100102631434_200011218217 [1,0,0,0,0,0|3,0,0]=4 165 B9R0.15 CCCC(CCC)N(C)C 270004a_100102631434_100000210088 [1,0,0,0,0,0|3,0,0]=4 166 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [1,0,0,0,0,0|2,0,0]=3 167 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [1,0,0,0,0,0|2,0,0]=3 168 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [1,0,0,0,0,0|3,0,0]=4 169 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [1,0,0,0,0,0|3,0,0]=4 170 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 171 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 172 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 173 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [1,0,0,0,0,0|2,0,0]=3 174 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [1,0,0,0,0,0|2,0,0]=3 175 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [1,0,0,0,0,0|2,0,0]=3 176 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [1,0,0,0,0,0|2,0,0]=3 177 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,0,0,0,0,0|1,0,0]=2 178 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [1,0,0,0,0,0|3,0,0]=4 179 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [1,0,0,0,0,0|2,0,0]=3 180 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [1,0,0,0,0,0|2,0,0]=3 181 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [1,0,0,0,0,0|2,0,0]=3 182 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,0,0,0,0,0|2,0,0]=3 183 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [1,0,0,0,0,0|3,0,0]=4 186 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [1,0,0,0,0,0|3,0,0]=4 187 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [1,0,0,0,0,0|3,0,0]=4 188 B9R0.40 C#CC(CCC)OCCO 34a_200011217317_100000211926 [1,0,0,0,0,0|2,0,1]=4 189 B9R0.40 C#CC(CCC)OCCO 7a_200011217317_100000211926 [1,0,0,0,0,0|2,0,1]=4 190 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [1,0,0,0,0,0|3,0,0]=4 191 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [1,0,0,0,0,0|3,0,0]=4 192 B9R0.40 C=CC(CCC)OCCF 34a_100011216692_100011217306 [1,0,0,0,0,0|3,0,0]=4 193 B9R0.40 C=CC(CCC)OCCF 7a_100011216692_100011217306 [1,0,0,0,0,0|3,0,0]=4 194 B9R0.40 C=CC(CCC)OCCO 34a_100011216692_100000211926 [1,0,0,0,0,0|2,0,0]=3 195 B9R0.40 C=CC(CCC)OCCO 7a_100011216692_100000211926 [1,0,0,0,0,0|2,0,0]=3 196 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [1,0,0,0,0,0|3,0,0]=4 197 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [1,0,0,0,0,0|3,0,0]=4 198 B9R0.40 CCCC(C#N)OCCO 34a_100000686963_100000211926 [1,0,0,0,0,0|2,0,1]=4 199 B9R0.40 CCCC(C#N)OCCO 7a_100000686963_100000211926 [1,0,0,0,0,0|2,0,1]=4 200 B9R0.40 CCCC(CC)NCCO 2230a_100000747048_100000211926 [1,0,0,0,0,0|2,0,1]=4 201 B9R0.40 CCCC(CC)NCCO 270004a_100000210304_100000687865 [1,0,0,0,0,0|2,0,1]=4 202 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [1,0,0,0,0,0|2,0,1]=4 203 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [1,0,0,0,0,0|2,0,1]=4 204 B9R0.40 CCCC(CC)SCCO 62a_100000211926_100011219200 [1,0,0,0,0,0|2,0,1]=4 205 B9R0.40 CCCC(CC)SCCO 62a_100011219200_100000211926 [1,0,0,0,0,0|2,0,1]=4 206 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [1,0,0,0,0,0|3,0,0]=4 207 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [1,0,0,0,0,0|3,0,0]=4 208 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [1,0,0,0,0,0|3,0,0]=4 209 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [1,0,0,0,0,0|3,0,0]=4 210 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [1,0,0,0,0,0|3,0,0]=4 212 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [1,0,0,0,0,0|3,0,0]=4 213 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [1,0,0,0,0,0|3,0,0]=4 214 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [1,0,0,0,0,0|3,0,0]=4 215 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [1,0,0,0,0,0|3,0,0]=4 217 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [1,0,0,0,0,0|2,0,1]=4 218 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [1,0,0,0,0,0|2,0,1]=4 219 B9R0.40 CCCN(CC)CCCO 2230a_100000226822_100000230001 [1,0,0,0,0,0|2,0,1]=4 220 B9R0.40 CCCN(CC)CCCO 269982a_100000226822_100011215043 [1,0,0,0,0,0|2,0,1]=4 221 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [1,0,0,0,0,0|2,0,1]=4 222 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [1,0,0,0,0,0|2,0,1]=4 223 B9R0.40 CCC[C@@H](CO)NCCF 2230a_100000732646_100011217306 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.40 CCC[C@@H](CO)NCCF 34a_100000732646_100011217306 [1,0,0,0,0,0|2,0,1]=4 225 B9R0.40 CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [1,0,0,0,0,0|1,0,1]=3 226 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [1,0,0,0,0,0|1,0,1]=3 227 B9R0.40 COCC(CO)NCCO 2230a_100000724102_100000211926 [1,0,0,0,0,0|2,0,1]=4 228 B9R0.40 COCC(CO)NCCO 34a_100000724102_100000211926 [1,0,0,0,0,0|2,0,1]=4 229 B11R0.36 C#CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000184674 [0,1,0,0,0,0|2,0,1]=4 230 B11R0.36 C#CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000184674 [0,1,0,0,0,0|2,0,1]=4 231 B11R0.36 C=CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210623 [0,1,0,0,0,0|2,0,1]=4 232 B11R0.36 C=CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210623 [0,1,0,0,0,0|2,0,1]=4 233 B11R0.36 CC(=O)N(CCCO)CCCO 240690a_100000212923_100015343762 [0,1,0,0,0,0|2,0,0]=3 234 B11R0.36 CC(=O)N(CCCO)CCCO 527a_100000212923_100103153847 [0,1,0,0,0,0|2,0,0]=3 235 B11R0.36 CCCCC(CCCC)C(=O)C 1458a_100000078208_200000210301 [0,1,0,0,0,0|2,0,0]=3 236 B11R0.36 CCCCC(CCCC)C(=O)[13CH3] 1458a_100000078208_200025704644 [0,1,0,0,0,0|2,0,0]=3 237 B11R0.36 CCCCC(NCCF)C(=O)N 34a_100000724931_100000748834 [0,1,0,0,0,0|3,0,0]=4 238 B11R0.36 CCCCC(NCCO)C(=O)N 2230a_100016997473_100000748834 [0,1,0,0,0,0|2,0,0]=3 239 B11R0.36 CCCCC(NCCO)C(=O)N 34a_100016990907_100000748834 [0,1,0,0,0,0|2,0,0]=3 240 B11R0.36 CCCCC(OCCBr)C(=O)N 34a_100000211926_100000748834 [0,1,0,0,0,0|3,0,0]=4 241 B11R0.36 CCCCC(OCCC)C(=O)N 34a_100000210258_100000748834 [0,1,0,0,0,0|2,0,0]=3 242 B11R0.36 CCCCC(OCCN)C(=O)N 34a_100000210304_100000748834 [0,1,0,0,0,0|3,0,0]=4 243 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000210303_100000748834 [0,1,0,0,0,0|2,0,0]=3 244 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000748834_100000210303 [0,1,0,0,0,0|2,0,0]=3 245 B11R0.36 CCCCC(SCCF)C(=O)N 62a_100000748834_100011217306 [0,1,0,0,0,0|3,0,0]=4 246 B11R0.36 CCCCC(SCCF)C(=O)N 62a_100011217306_100000748834 [0,1,0,0,0,0|3,0,0]=4 247 B11R0.36 CCCCC(SCCO)C(=O)N 62a_100000211926_100000748834 [0,1,0,0,0,0|2,0,0]=3 248 B11R0.36 CCCCC(SCCO)C(=O)N 62a_100000748834_100000211926 [0,1,0,0,0,0|2,0,0]=3 249 B11R0.36 CCCCC(SCOC)C(=O)N 62a_100000748834_100000766300 [0,1,0,0,0,0|3,0,0]=4 250 B11R0.36 CCCCC(SCOC)C(=O)N 62a_100000766300_100000748834 [0,1,0,0,0,0|3,0,0]=4 251 B11R0.36 CCCCC(SCSC)C(=O)N 62a_100000748834_100011218213 [0,1,0,0,0,0|3,0,0]=4 252 B11R0.36 CCCCC(SCSC)C(=O)N 62a_100011218213_100000748834 [0,1,0,0,0,0|3,0,0]=4 253 B11R0.36 CCCCN(CCCC)C(=O)C 11a_100000684618_100015343762 [0,1,0,0,0,0|3,0,0]=4 254 B11R0.36 CCCCN(CCCC)C(=O)C 1626a_100000684618_100015343762 [0,1,0,0,0,0|3,0,0]=4 255 B11R0.36 CCCCN(CCCC)C(=O)C 240690a_100000684618_100015343762 [0,1,0,0,0,0|3,0,0]=4 256 B11R0.36 CCCCN(CCCC)C(=O)C 527a_100000684618_100103153847 [0,1,0,0,0,0|3,0,0]=4 257 B11R0.36 CCCCN(CCOC)C(=O)C 11a_100000207391_100015343762 [0,1,0,0,0,0|3,0,0]=4 258 B11R0.36 CCCCN(CCOC)C(=O)C 1626a_100000207391_100015343762 [0,1,0,0,0,0|3,0,0]=4 259 B11R0.36 CCCCN(CCOC)C(=O)C 240690a_100000207391_100015343762 [0,1,0,0,0,0|3,0,0]=4 260 B11R0.36 CCCCN(CCOC)C(=O)C 527a_100000207391_100103153847 [0,1,0,0,0,0|3,0,0]=4 261 B11R0.36 CCCC[C@H](NCCC)C(=O)N 2230a_100000124899_100000210303 [0,1,0,0,0,0|2,0,0]=3 262 B11R0.36 CCCC[C@H](NCCC)C(=O)N 34a_100000124899_100000210303 [0,1,0,0,0,0|2,0,0]=3 263 B11R0.36 CCCC[C@H](NCCF)C(=O)N 2230a_100000124899_100011217306 [0,1,0,0,0,0|3,0,0]=4 264 B11R0.36 CCCC[C@H](NCCF)C(=O)N 34a_100000124899_100011217306 [0,1,0,0,0,0|3,0,0]=4 265 B11R0.36 CCCC[C@H](NCCO)C(=O)N 2230a_100000124899_100000211926 [0,1,0,0,0,0|2,0,0]=3 266 B11R0.36 CCCC[C@H](NCCO)C(=O)N 34a_100000124899_100000211926 [0,1,0,0,0,0|2,0,0]=3 267 B11R0.36 CCCC[C@H](NCOC)C(=O)N 2230a_100000124899_100000766300 [0,1,0,0,0,0|3,0,0]=4 268 B11R0.36 CCCC[C@H](NCSC)C(=O)N 2230a_100000124899_100011218213 [0,1,0,0,0,0|3,0,0]=4 269 B11R0.36 CCCC[C@H](NCSC)C(=O)N 34a_100000124899_100011218213 [0,1,0,0,0,0|3,0,0]=4 270 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210303 [0,1,0,0,0,0|3,0,0]=4 271 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210303 [0,1,0,0,0,0|3,0,0]=4 272 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210207 [0,1,0,0,0,0|2,0,0]=3 273 B11R0.36 CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210207 [0,1,0,0,0,0|2,0,0]=3 274 B11R0.36 COCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766300 [0,1,0,0,0,0|3,0,0]=4 275 B11R0.36 COCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000766300 [0,1,0,0,0,0|3,0,0]=4 276 B11R0.36 CSCC[C@H](NCC#N)C(=O)O 269956a_100000743919_100011215382 [0,1,0,0,0,0|2,0,1]=4 277 B11R0.36 CSCC[C@H](NCC=O)C(=O)O 269956a_100000743919_200015260668 [0,1,0,0,0,0|1,0,2]=4 278 B11R0.36 CSCC[C@H](NCCF)C(=O)N 2230a_100000119342_100011217306 [0,1,0,0,0,0|3,0,0]=4 279 B11R0.36 CSCC[C@H](NCCF)C(=O)N 34a_100000119342_100011217306 [0,1,0,0,0,0|3,0,0]=4 280 B11R0.36 CSCC[C@H](NCCF)C(=O)O 269956a_100000743919_100011217306 [0,1,0,0,0,0|2,0,0]=3 281 B11R0.36 CSCC[C@H](NCCO)C(=O)N 2230a_100000119342_100000211926 [0,1,0,0,0,0|2,0,0]=3 282 B11R0.36 CSCC[C@H](NCCO)C(=O)N 34a_100000119342_100000211926 [0,1,0,0,0,0|2,0,0]=3 283 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [0,1,0,0,0,0|1,0,0]=2 284 B11R0.36 CSCC[C@H](NCSC)C(=O)O 269956a_100000743919_100011218213 [0,1,0,0,0,0|3,0,0]=4 285 B11R0.36 CSCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011218213 [0,1,0,0,0,0|3,0,0]=4 286 B11R0.36 C[Se]CC[C@H](NCC#N)C(=O)O 269956a_100020619752_100011215382 [0,1,0,0,0,0|2,0,1]=4 287 B11R0.36 C[Se]CC[C@H](NCC=O)C(=O)O 269956a_100020619752_200015260668 [0,1,0,0,0,0|1,0,2]=4 288 B11R0.36 C[Se]CC[C@H](NCCF)C(=O)O 269956a_100020619752_100011217306 [0,1,0,0,0,0|2,0,0]=3 289 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [0,1,0,0,0,0|1,0,0]=2 290 B11R0.38 C#CC(=O)C(CCC)CCCC 1458a_100000211873_100000211913 [0,1,0,0,0,0|2,0,0]=3 291 B11R0.38 C#CCNC(CCC)C(=O)OC 34a_100000212058_200009843822 [0,1,0,0,0,0|2,0,1]=4 292 B11R0.38 C#CCOC(CCC)C(=O)OC 34a_100000210247_200009843822 [0,1,0,0,0,0|2,0,1]=4 293 B11R0.38 C#CCSC(CCC)C(=O)OC 62a_100000038162_200009843822 [0,1,0,0,0,0|2,0,1]=4 294 B11R0.38 C=CC(=O)C(CCC)CCCC 1458a_100000185746_100000211913 [0,1,0,0,0,0|2,0,0]=3 295 B11R0.38 C=CC(=O)N(CCC)CCCC 1626a_200000207744_100000185746 [0,1,0,0,0,0|3,0,0]=4 296 B11R0.38 C=CC(=O)N(CCC)CCCC 240690a_200000207744_200121576911 [0,1,0,0,0,0|3,0,0]=4 297 B11R0.38 C=CC(=O)N(CCO)CCCO 240690a_200000212863_200121576911 [0,1,0,0,0,0|3,0,0]=4 298 B11R0.38 C=CCNC(CCC)C(=O)OC 2230a_100020586998_200009843822 [0,1,0,0,0,0|2,0,1]=4 299 B11R0.38 C=CCOC(CCC)C(=O)OC 34a_200000210373_200009843822 [0,1,0,0,0,0|2,0,1]=4 300 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_100000210623_200009843822 [0,1,0,0,0,0|2,0,1]=4 301 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_200009843822_100000210623 [0,1,0,0,0,0|2,0,1]=4 302 B11R0.38 CCC(=O)N(CCO)CCCO 240690a_200000212863_100000210414 [0,1,0,0,0,0|3,0,0]=4 303 B11R0.38 CCCC(NCCF)C(=O)NC 2230a_106256046333_100011217306 [0,1,0,0,0,0|3,0,0]=4 304 B11R0.38 CCCC(NCCF)C(=O)NC 34a_106256046333_100011217306 [0,1,0,0,0,0|3,0,0]=4 305 B11R0.38 CCCC(NCCF)C(=O)OC 34a_100000724931_200009843822 [0,1,0,0,0,0|2,0,0]=3 306 B11R0.38 CCCC(NCCO)C(=O)NC 2230a_106256046333_100000211926 [0,1,0,0,0,0|2,0,0]=3 307 B11R0.38 CCCC(NCCO)C(=O)NC 34a_106256046333_100000211926 [0,1,0,0,0,0|2,0,0]=3 308 B11R0.38 CCCC(NCCO)C(=O)OC 2230a_100016997473_200009843822 [0,1,0,0,0,0|1,0,0]=2 309 B11R0.38 CCCC(NCCO)C(=O)OC 34a_100016990907_200009843822 [0,1,0,0,0,0|1,0,0]=2 310 B11R0.38 CCCC(OCCBr)C(=O)OC 34a_100000211926_200009843822 [0,1,0,0,0,0|2,0,0]=3 311 B11R0.38 CCCC(OCCN)C(=O)OC 34a_100000210304_200009843822 [0,1,0,0,0,0|2,0,0]=3 312 B11R0.38 CCCC(SCC#N)C(=O)OC 62a_100011215382_200009843822 [0,1,0,0,0,0|2,0,1]=4 313 B11R0.38 CCCC(SCC#N)C(=O)OC 62a_200009843822_100011215382 [0,1,0,0,0,0|2,0,1]=4 314 B11R0.38 CCCC(SCC=O)C(=O)OC 62a_200009843822_200015260668 [0,1,0,0,0,0|1,0,2]=4 315 B11R0.38 CCCC(SCC=O)C(=O)OC 62a_200015260668_200009843822 [0,1,0,0,0,0|1,0,2]=4 316 B11R0.38 CCCC(SCCF)C(=O)OC 62a_100011217306_200009843822 [0,1,0,0,0,0|2,0,0]=3 317 B11R0.38 CCCC(SCCF)C(=O)OC 62a_200009843822_100011217306 [0,1,0,0,0,0|2,0,0]=3 318 B11R0.38 CCCC(SCCO)C(=O)OC 62a_100000211926_200009843822 [0,1,0,0,0,0|1,0,0]=2 319 B11R0.38 CCCC(SCCO)C(=O)OC 62a_200009843822_100000211926 [0,1,0,0,0,0|1,0,0]=2 320 B11R0.38 CCCC(SCOC)C(=O)OC 62a_100000766300_200009843822 [0,1,0,0,0,0|3,0,0]=4 321 B11R0.38 CCCC(SCOC)C(=O)OC 62a_200009843822_100000766300 [0,1,0,0,0,0|3,0,0]=4 322 B11R0.38 CCCC(SCSC)C(=O)OC 62a_100011218213_200009843822 [0,1,0,0,0,0|3,0,0]=4 323 B11R0.38 CCCC(SCSC)C(=O)OC 62a_200009843822_100011218213 [0,1,0,0,0,0|3,0,0]=4 324 B11R0.38 CCCCC(CCC)C(=O)CC 1458a_100000210414_100000211913 [0,1,0,0,0,0|2,0,0]=3 325 B11R0.38 CCCCC(CCC)C(=O)CO 1458a_100000210174_100000211913 [0,1,0,0,0,0|1,0,0]=2 326 B11R0.38 CCCCC(NCC)C(=O)OC 2230a_100015525214_100000750740 [0,1,0,0,0,0|2,0,0]=3 327 B11R0.38 CCCCC(OCC)C(=O)OC 34a_100121572206_100000750740 [0,1,0,0,0,0|2,0,0]=3 328 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000210202_100000750740 [0,1,0,0,0,0|2,0,0]=3 329 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000750740_100000210202 [0,1,0,0,0,0|2,0,0]=3 330 B11R0.38 CCCCC(SCF)C(=O)OC 62a_100000750740_100015361967 [0,1,0,0,0,0|3,0,0]=4 331 B11R0.38 CCCCC(SCF)C(=O)OC 62a_100015361967_100000750740 [0,1,0,0,0,0|3,0,0]=4 332 B11R0.38 CCCCN(CCC)C(=O)CC 11a_200000207744_100000210414 [0,1,0,0,0,0|3,0,0]=4 333 B11R0.38 CCCCN(CCC)C(=O)CC 1626a_200000207744_100000210414 [0,1,0,0,0,0|3,0,0]=4 334 B11R0.38 CCCCN(CCC)C(=O)CC 240690a_200000207744_100000210414 [0,1,0,0,0,0|3,0,0]=4 335 B11R0.38 CCCCN(CCC)C(=O)CC 527a_200000207744_100000210414 [0,1,0,0,0,0|3,0,0]=4 336 B11R0.38 CCCCN(CCC)C(=O)CO 240690a_200000207744_100000210174 [0,1,0,0,0,0|2,0,0]=3 337 B11R0.38 CCCCN(CCC)C(=O)CO 527a_200000207744_100000210174 [0,1,0,0,0,0|2,0,0]=3 338 B11R0.38 CCCCN(CCC)C(=O)NC 2708a_100102657272_200000207744 [0,1,0,0,0,0|3,0,0]=4 339 B11R0.38 CCCCN(CCC)C(=O)NC 273464a_100102657272_200000207744 [0,1,0,0,0,0|3,0,0]=4 340 B11R0.38 CCCCN(CCO)C(=O)CO 240690a_100000198060_100000210174 [0,1,0,0,0,0|3,0,0]=4 341 B11R0.38 CCCN(CCC#N)C(=O)CO 240690a_100000176855_100000210174 [0,1,0,0,0,0|2,0,1]=4 342 B11R0.38 CCCN(CCCO)C(C)CO 2230a_100011303929_100000230001 [0,1,0,0,0,0|2,0,1]=4 343 B11R0.38 CCCN(CCCO)C(C)CO 269982a_100011303929_100011215043 [0,1,0,0,0,0|2,0,1]=4 344 B11R0.38 CCCN(CCOC)C(=O)CO 240690a_200011192371_100000210174 [0,1,0,0,0,0|3,0,0]=4 345 B11R0.38 CCCN(CCOC)C(=O)CO 527a_200011192371_100000210174 [0,1,0,0,0,0|3,0,0]=4 346 B11R0.38 CCCNC(CCC)C(=O)NC 2230a_106256046333_100000210303 [0,1,0,0,0,0|3,0,0]=4 347 B11R0.38 CCCNC(CCC)C(=O)NC 34a_106256046333_100000210303 [0,1,0,0,0,0|3,0,0]=4 348 B11R0.38 CCCOC(CCC)C(=O)OC 34a_100000210258_200009843822 [0,1,0,0,0,0|2,0,0]=3 349 B11R0.38 CCCOC(COC)C(=O)OC 34a_100000210258_100000717350 [0,1,0,0,0,0|3,0,0]=4 350 B11R0.38 CCCSC(CCC)C(=O)OC 62a_100000210303_200009843822 [0,1,0,0,0,0|2,0,0]=3 351 B11R0.38 CCCSC(CCC)C(=O)OC 62a_200009843822_100000210303 [0,1,0,0,0,0|2,0,0]=3 352 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000210303_100000717350 [0,1,0,0,0,0|3,0,0]=4 353 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000717350_100000210303 [0,1,0,0,0,0|3,0,0]=4 354 B11R0.38 CNC(=O)N(CCO)CCCO 2708a_100102657272_200000212863 [0,1,0,0,0,0|3,0,0]=4 355 B11R0.38 CNC(=O)N(CCO)CCCO 273464a_100102657272_200000212863 [0,1,0,0,0,0|3,0,0]=4 356 B11R0.38 COCC(NCCF)C(=O)OC 34a_100000724931_100000717350 [0,1,0,0,0,0|3,0,0]=4 357 B11R0.38 COCC(NCCO)C(=O)OC 34a_100016990907_100000717350 [0,1,0,0,0,0|2,0,0]=3 358 B11R0.38 COCC(OCCBr)C(=O)OC 34a_100000211926_100000717350 [0,1,0,0,0,0|3,0,0]=4 359 B11R0.38 COCC(OCCN)C(=O)OC 34a_100000210304_100000717350 [0,1,0,0,0,0|3,0,0]=4 360 B11R0.38 COCC(SCCF)C(=O)OC 62a_100000717350_100011217306 [0,1,0,0,0,0|3,0,0]=4 361 B11R0.38 COCC(SCCF)C(=O)OC 62a_100011217306_100000717350 [0,1,0,0,0,0|3,0,0]=4 362 B11R0.38 COCC(SCCO)C(=O)OC 62a_100000211926_100000717350 [0,1,0,0,0,0|2,0,0]=3 363 B11R0.38 COCC(SCCO)C(=O)OC 62a_100000717350_100000211926 [0,1,0,0,0,0|2,0,0]=3 364 B11R0.38 O=C(CO)N(CCO)CCCO 240690a_200000212863_100000210174 [0,1,0,0,0,0|2,0,0]=3 365 B11R0.57 CCC[C@@H](N)C(OCC)C(=O)N 34a_200132311066_100000210202 [0,1,0,0,0,0|3,0,0]=4 366 B11R0.78 C#CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000688953 [0,1,0,0,0,0|2,0,1]=4 367 B11R0.78 C#CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000688953 [0,1,0,0,0,0|2,0,1]=4 368 B11R0.78 C#CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000688953 [0,1,0,0,0,0|1,0,1]=3 369 B11R0.78 C#CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000688953 [0,1,0,0,0,0|2,0,1]=4 370 B11R0.78 C#CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000688953 [0,1,0,0,0,0|2,0,1]=4 371 B11R0.78 C#CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000688953 [0,1,0,0,0,0|2,0,1]=4 372 B11R0.78 C#CCCOC(CCC)C(=O)N 34a_100011626294_100000688953 [0,1,0,0,0,0|2,0,1]=4 373 B11R0.78 C#CCCOC(CCC)C(=O)N 7a_100011626294_100000688953 [0,1,0,0,0,0|2,0,1]=4 374 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)O 269956a_100000750406_100102629194 [0,1,0,0,0,0|1,0,2]=4 375 B11R0.78 C=CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000754431 [0,1,0,0,0,0|2,0,1]=4 376 B11R0.78 C=CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000754431 [0,1,0,0,0,0|2,0,1]=4 377 B11R0.78 C=CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000754431 [0,1,0,0,0,0|1,0,1]=3 378 B11R0.78 C=CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000754431 [0,1,0,0,0,0|2,0,1]=4 379 B11R0.78 C=CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000754431 [0,1,0,0,0,0|2,0,1]=4 380 B11R0.78 C=CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000754431 [0,1,0,0,0,0|2,0,1]=4 381 B11R0.78 C=CCCOC(CCC)C(=O)N 34a_100011626294_100000754431 [0,1,0,0,0,0|2,0,1]=4 382 B11R0.78 C=CCCOC(CCC)C(=O)N 7a_100011626294_100000754431 [0,1,0,0,0,0|2,0,1]=4 383 B11R0.78 CC#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748600 [0,1,0,0,0,0|1,0,2]=4 384 B11R0.78 CCCC(OCCC#N)C(=O)N 7a_100011626294_100000184422 [0,1,0,0,0,0|2,0,1]=4 385 B11R0.78 CCCC(OCCCF)C(=O)N 34a_100011626294_100011934791 [0,1,0,0,0,0|2,0,0]=3 386 B11R0.78 CCCC(OCCCF)C(=O)N 7a_100011626294_100011934791 [0,1,0,0,0,0|2,0,0]=3 387 B11R0.78 CCCC(OCCCO)C(=O)N 34a_100011626294_100000230001 [0,1,0,0,0,0|1,0,0]=2 388 B11R0.78 CCCC(OCCCO)C(=O)N 7a_100011626294_100011215043 [0,1,0,0,0,0|1,0,0]=2 389 B11R0.78 CCCC(OCCCO)C(C)C 34a_200011215069_100000230001 [0,1,0,0,0,0|2,0,1]=4 390 B11R0.78 CCCC(OCCCO)C(C)C 7a_200011215069_100011215043 [0,1,0,0,0,0|2,0,1]=4 391 B11R0.78 CCCC(OCCOC)C(=O)N 34a_100011626294_100011201679 [0,1,0,0,0,0|2,0,0]=3 392 B11R0.78 CCCC(OCCOC)C(=O)N 7a_100011626294_100000233755 [0,1,0,0,0,0|2,0,0]=3 393 B11R0.78 CCCC(OCCSC)C(=O)N 34a_100011626294_100000212216 [0,1,0,0,0,0|2,1,0]=4 394 B11R0.78 CCCC(OCCSC)C(=O)N 7a_100011626294_100000212216 [0,1,0,0,0,0|2,1,0]=4 395 B11R0.78 CCCCCC(CCC)C(=O)C 1458a_200011416452_200000210301 [0,1,0,0,0,0|2,0,0]=3 396 B11R0.78 CCCCCC(CCC)C(=O)[13CH3] 1458a_200011416452_200025704644 [0,1,0,0,0,0|2,0,0]=3 397 B11R0.78 CCCCCN(CCC)C(=O)C 11a_200000226819_100015343762 [0,1,0,0,0,0|3,0,0]=4 398 B11R0.78 CCCCCN(CCC)C(=O)C 1626a_200000226819_100015343762 [0,1,0,0,0,0|3,0,0]=4 399 B11R0.78 CCCCCN(CCC)C(=O)C 240690a_200000226819_100015343762 [0,1,0,0,0,0|3,0,0]=4 400 B11R0.78 CCCCCN(CCC)C(=O)C 527a_200000226819_100103153847 [0,1,0,0,0,0|3,0,0]=4 401 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210211 [0,1,0,0,0,0|2,0,0]=3 402 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210210 [0,1,0,0,0,0|2,0,0]=3 403 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,1,0,0,0,0|1,0,0]=2 404 B11R0.78 CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210211 [0,1,0,0,0,0|2,0,0]=3 405 B11R0.78 CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210211 [0,1,0,0,0,0|2,0,0]=3 406 B11R0.78 CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210211 [0,1,0,0,0,0|2,0,0]=3 407 B11R0.78 CCCCOC(CCC)C(=O)N 34a_100011626294_100000210210 [0,1,0,0,0,0|2,0,0]=3 408 B11R0.78 CCCCOC(CCC)C(=O)N 7a_100011626294_100000210211 [0,1,0,0,0,0|2,0,0]=3 409 B11R0.78 CCC[C@H](NCCC#N)C(=O)N 2230a_100000729256_100011215226 [0,1,0,0,0,0|2,0,1]=4 410 B11R0.78 CCC[C@H](NCCC#N)C(=O)O 269956a_100000750406_100011215226 [0,1,0,0,0,0|1,0,1]=3 411 B11R0.78 CCC[C@H](NCCCF)C(=O)N 2230a_100000729256_100011934791 [0,1,0,0,0,0|2,0,0]=3 412 B11R0.78 CCC[C@H](NCCCF)C(=O)N 34a_100000729256_100011934791 [0,1,0,0,0,0|2,0,0]=3 413 B11R0.78 CCC[C@H](NCCCF)C(=O)O 269956a_100000750406_100011934791 [0,1,0,0,0,0|1,0,0]=2 414 B11R0.78 CCC[C@H](NCCCO)C(=O)N 2230a_100000729256_100000230001 [0,1,0,0,0,0|1,0,0]=2 415 B11R0.78 CCC[C@H](NCCCO)C(=O)N 34a_100000729256_100000230001 [0,1,0,0,0,0|1,0,0]=2 416 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [0,1,0,0,0,0|0,0,0]=1 417 B11R0.78 CCC[C@H](NCCOC)C(=O)N 2230a_100000729256_100011201679 [0,1,0,0,0,0|2,0,0]=3 418 B11R0.78 CCC[C@H](NCCOC)C(=O)N 34a_100000729256_100011201679 [0,1,0,0,0,0|2,0,0]=3 419 B11R0.78 CCC[C@H](NCCOC)C(=O)O 269956a_100000750406_100000233755 [0,1,0,0,0,0|1,0,0]=2 420 B11R0.78 CCC[C@H](NCCSC)C(=O)N 2230a_100000729256_100000751147 [0,1,0,0,0,0|2,1,0]=4 421 B11R0.78 CCC[C@H](NCCSC)C(=O)N 34a_100000729256_100000212216 [0,1,0,0,0,0|2,1,0]=4 422 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [0,1,0,0,0,0|1,1,0]=3 423 B11R0.78 CCC[C@H](NCOCC)C(=O)O 269956a_100000750406_100000739092 [0,1,0,0,0,0|2,0,0]=3 424 B11R0.78 CCC[C@H](NCSC#N)C(=O)O 269956a_100000750406_100000211825 [0,1,0,0,0,0|2,0,1]=4 425 B11R0.78 CCOCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000739092 [0,1,0,0,0,0|3,0,0]=4 426 B11R0.78 CCOCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000739092 [0,1,0,0,0,0|3,0,0]=4 427 B11R0.78 CCOCN[C@H](COC)C(=O)O 269956a_100011998655_100000739092 [0,1,0,0,0,0|3,0,0]=4 428 B11R0.78 COCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000233755 [0,1,0,0,0,0|2,0,0]=3 429 B11R0.78 COCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000233755 [0,1,0,0,0,0|2,0,0]=3 430 B11R0.78 COCCN[C@H](COC)C(=O)O 269956a_100011998655_100000233755 [0,1,0,0,0,0|2,0,0]=3 431 B11R0.78 COC[C@@H](NCCC#N)C(=O)O 269956a_100011998655_100011215226 [0,1,0,0,0,0|2,0,1]=4 432 B11R0.78 COC[C@@H](NCCCF)C(=O)O 269956a_100011998655_100011934791 [0,1,0,0,0,0|2,0,0]=3 433 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [0,1,0,0,0,0|1,0,0]=2 434 B11R0.78 COC[C@@H](NCCSC)C(=O)O 269956a_100011998655_100000212216 [0,1,0,0,0,0|2,1,0]=4 435 B11R0.78 CSCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000212216 [0,1,0,0,0,0|2,1,0]=4 436 B11R0.78 CSCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000212216 [0,1,0,0,0,0|2,1,0]=4 437 B11R0.78 CSC[C@H](NCCC#N)C(=O)O 269956a_100011421858_100011215226 [0,1,0,0,0,0|2,0,1]=4 438 B11R0.78 CSC[C@H](NCCCF)C(=O)O 269956a_100011421858_100011934791 [0,1,0,0,0,0|2,0,0]=3 439 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [0,1,0,0,0,0|1,0,0]=2 440 B11R0.78 C[Se]C[C@H](NCCC#N)C(=O)O 269956a_100015254316_100011215226 [0,1,0,0,0,0|2,0,1]=4 441 B11R0.78 C[Se]C[C@H](NCCCF)C(=O)O 269956a_100015254316_100011934791 [0,1,0,0,0,0|2,0,0]=3 442 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [0,1,0,0,0,0|1,0,0]=2 443 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [0,1,0,0,0,0|2,0,1]=4 444 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000042424 [0,1,0,0,0,0|2,0,1]=4 445 B11R0.146 CCCC(OCC(C)C)C(=O)N 34a_100011626294_100000210624 [0,1,0,0,0,0|3,0,0]=4 446 B11R0.146 CCCC(OCC(C)C)C(=O)N 7a_100011626294_100000210760 [0,1,0,0,0,0|3,0,0]=4 447 B11R0.146 CCCC(OCC(C)O)C(=O)N 34a_100011626294_100011218427 [0,1,0,0,0,0|2,0,0]=3 448 B11R0.146 CCCC(OCC(C)O)C(=O)N 7a_100011626294_100011218427 [0,1,0,0,0,0|2,0,0]=3 449 B11R0.146 CCCC(OCC(F)F)C(=O)N 34a_100011626294_100011934356 [0,1,0,0,0,0|3,0,0]=4 450 B11R0.146 CCCC(OCC(F)F)C(=O)N 7a_100011626294_100011934356 [0,1,0,0,0,0|3,0,0]=4 451 B11R0.146 CCCC(OC[C@@H](C)O)C(=O)N 34a_100011626294_100009817552 [0,1,0,0,0,0|2,0,0]=3 452 B11R0.146 CCCC(OC[C@@H](C)O)C(=O)N 7a_100011626294_100009817552 [0,1,0,0,0,0|2,0,0]=3 453 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,1,0,0,0,0|1,0,2]=4 454 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [0,1,0,0,0,0|1,0,2]=4 455 B11R0.146 CCC[C@H](NCC(C)C)C(=O)N 2230a_100000729256_100000210760 [0,1,0,0,0,0|3,0,0]=4 456 B11R0.146 CCC[C@H](NCC(C)C)C(=O)N 34a_100000729256_100000210624 [0,1,0,0,0,0|3,0,0]=4 457 B11R0.146 CCC[C@H](NCC(C)C)C(=O)O 269956a_100000750406_100000210760 [0,1,0,0,0,0|2,0,0]=3 458 B11R0.146 CCC[C@H](NCC(C)O)C(=O)N 2230a_100000729256_100011218427 [0,1,0,0,0,0|2,0,0]=3 459 B11R0.146 CCC[C@H](NCC(C)O)C(=O)N 34a_100000729256_100011218427 [0,1,0,0,0,0|2,0,0]=3 460 B11R0.146 CCC[C@H](NCC(C)O)C(=O)O 269956a_100000750406_100011218427 [0,1,0,0,0,0|1,0,0]=2 461 B11R0.146 CCC[C@H](NCC(F)F)C(=O)N 2230a_100000729256_100011934356 [0,1,0,0,0,0|3,0,0]=4 462 B11R0.146 CCC[C@H](NCC(F)F)C(=O)N 34a_100000729256_100011934356 [0,1,0,0,0,0|3,0,0]=4 463 B11R0.146 CCC[C@H](NCC(F)F)C(=O)O 269956a_100000750406_100011934356 [0,1,0,0,0,0|2,0,0]=3 464 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000729256_100009817552 [0,1,0,0,0,0|2,0,0]=3 465 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000729256_100009817552 [0,1,0,0,0,0|2,0,0]=3 466 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [0,1,0,0,0,0|1,0,0]=2 467 B11R0.146 CCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000750406_100000761209 [0,1,0,0,0,0|2,0,1]=4 468 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,1,0,0,0,0|3,0,0]=4 469 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,1,0,0,0,0|2,0,1]=4 470 B11R0.146 COC[C@@H](NCC(C)C)C(=O)O 269956a_100011998655_100000210760 [0,1,0,0,0,0|3,0,0]=4 471 B11R0.146 COC[C@@H](NCC(C)O)C(=O)O 269956a_100011998655_100011218427 [0,1,0,0,0,0|2,0,0]=3 472 B11R0.146 COC[C@@H](NCC(F)F)C(=O)O 269956a_100011998655_100011934356 [0,1,0,0,0,0|3,0,0]=4 473 B11R0.146 COC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100011998655_100009817552 [0,1,0,0,0,0|2,0,0]=3 474 B11R0.146 CSC[C@H](NCC(C)C)C(=O)O 269956a_100011421858_100000210760 [0,1,0,0,0,0|3,0,0]=4 475 B11R0.146 CSC[C@H](NCC(C)O)C(=O)O 269956a_100011421858_100011218427 [0,1,0,0,0,0|2,0,0]=3 476 B11R0.146 CSC[C@H](NCC(F)F)C(=O)O 269956a_100011421858_100011934356 [0,1,0,0,0,0|3,0,0]=4 477 B11R0.146 CSC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100011421858_100009817552 [0,1,0,0,0,0|2,0,0]=3 478 B11R0.146 C[Se]C[C@H](NCC(C)C)C(=O)O 269956a_100015254316_100000210760 [0,1,0,0,0,0|3,0,0]=4 479 B11R0.146 C[Se]C[C@H](NCC(C)O)C(=O)O 269956a_100015254316_100011218427 [0,1,0,0,0,0|2,0,0]=3 480 B11R0.146 C[Se]C[C@H](NCC(F)F)C(=O)O 269956a_100015254316_100011934356 [0,1,0,0,0,0|3,0,0]=4 481 B11R0.146 C[Se]C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015254316_100009817552 [0,1,0,0,0,0|2,0,0]=3 482 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 2230a_100016989234_100011217306 [0,1,0,0,0,0|3,0,0]=4 483 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 34a_100016989234_100011217306 [0,1,0,0,0,0|3,0,0]=4 484 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 2230a_100016989234_100000211926 [0,1,0,0,0,0|2,0,0]=3 485 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 34a_100016989234_100000211926 [0,1,0,0,0,0|2,0,0]=3 486 B11R0.160 CCCCC(NC(C)C)C(=O)N 2230a_100138425928_100000748834 [0,1,0,0,0,0|3,0,0]=4 487 B11R0.160 CCCCC(NC(C)C)C(=O)N 34a_100138425928_100000748834 [0,1,0,0,0,0|3,0,0]=4 488 B11R0.160 CCCCC(OC(C)C)C(=O)N 34a_100000212225_100000748834 [0,1,0,0,0,0|3,0,0]=4 489 B11R0.160 CCCCC(SC(C)C)C(=O)N 62a_100000210206_100000748834 [0,1,0,0,0,0|3,0,0]=4 490 B11R0.160 CCCCC(SC(C)C)C(=O)N 62a_100000748834_100000210206 [0,1,0,0,0,0|3,0,0]=4 491 B11R0.160 CCCC[C@H](NC(C)C)C(=O)N 2230a_100000124899_100000210206 [0,1,0,0,0,0|3,0,0]=4 492 B11R0.160 CCCC[C@H](NC(C)C)C(=O)N 34a_100000124899_100000210206 [0,1,0,0,0,0|3,0,0]=4 493 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210303 [0,1,0,0,0,0|3,0,0]=4 494 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210303 [0,1,0,0,0,0|3,0,0]=4 495 B11R0.160 CCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210207 [0,1,0,0,0,0|3,0,0]=4 496 B11R0.160 CS(=O)C[C@H](NCCF)C(=O)O 269956a_100009817418_100011217306 [0,1,0,0,0,0|3,0,0]=4 497 B11R0.160 CS(=O)C[C@H](NCCO)C(=O)O 269956a_100009817418_100000211926 [0,1,0,0,0,0|2,0,0]=3 498 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,1,0,0,0,0|3,0,0]=4 499 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [0,1,0,0,0,0|3,0,0]=4 500 B11R0.167 C#CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000184674 [0,1,0,0,0,0|2,0,1]=4 501 B11R0.167 C=CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210623 [0,1,0,0,0,0|2,0,1]=4 502 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [0,1,0,0,0,0|2,0,1]=4 503 B11R0.167 CCCCC(C(=O)N)N(C)CC 2230a_100000225621_100000748834 [0,1,0,0,0,0|3,0,0]=4 504 B11R0.167 CCCCC(C(=O)N)N(C)CC 269982a_100000225621_100000748834 [0,1,0,0,0,0|3,0,0]=4 505 B11R0.167 CCCCN(C(=O)C)C(C)CC 11a_100000207357_100015343762 [0,1,0,0,0,0|3,0,0]=4 506 B11R0.167 CCCCN(C(=O)C)C(C)CC 1626a_100000207357_100015343762 [0,1,0,0,0,0|3,0,0]=4 507 B11R0.167 CCCCN(C(=O)C)C(C)CC 240690a_100000207357_100015343762 [0,1,0,0,0,0|3,0,0]=4 508 B11R0.167 CCCCN(C(=O)C)C(C)CC 527a_100000207357_100103153847 [0,1,0,0,0,0|3,0,0]=4 509 B11R0.167 CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210207 [0,1,0,0,0,0|2,0,0]=3 510 B11R0.167 CCCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210303 [0,1,0,0,0,0|3,0,0]=4 511 B11R0.167 CCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210207 [0,1,0,0,0,0|3,0,0]=4 512 B11R0.167 CC[C@H](C)[C@@H](NCC#N)C(=O)O 269956a_100009815163_100011215382 [0,1,0,0,0,0|2,0,1]=4 513 B11R0.167 CC[C@H](C)[C@@H](NCC=O)C(=O)O 269956a_100009815163_200015260668 [0,1,0,0,0,0|1,0,2]=4 514 B11R0.167 CC[C@H](C)[C@@H](NCCF)C(=O)O 269956a_100009815163_100011217306 [0,1,0,0,0,0|2,0,0]=3 515 B11R0.167 CC[C@H](C)[C@@H](NCCO)C(=O)O 269956a_100009815163_100000211926 [0,1,0,0,0,0|1,0,0]=2 516 B11R0.167 CC[C@H](C)[C@@H](NCOC)C(=O)O 269956a_100009815163_100000766300 [0,1,0,0,0,0|3,0,0]=4 517 B11R0.167 CC[C@H](C)[C@@H](NCSC)C(=O)O 269956a_100009815163_100011218213 [0,1,0,0,0,0|3,0,0]=4 518 B11R0.167 CC[C@H](C)[C@H](NCCF)C(=O)N 2230a_100000758034_100011217306 [0,1,0,0,0,0|3,0,0]=4 519 B11R0.167 CC[C@H](C)[C@H](NCCO)C(=O)N 2230a_100000758034_100000211926 [0,1,0,0,0,0|2,0,0]=3 520 B11R0.167 CO[C@H](C)[C@H](NCCF)C(=O)O 269956a_100015335849_100011217306 [0,1,0,0,0,0|3,0,0]=4 521 B11R0.167 CO[C@H](C)[C@H](NCCO)C(=O)O 269956a_100015335849_100000211926 [0,1,0,0,0,0|2,0,0]=3 522 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [0,1,0,0,0,0|2,0,1]=4 523 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [0,1,0,0,0,0|2,0,1]=4 524 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [0,1,0,0,0,0|3,0,0]=4 525 B11R0.236 CCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000758301 [0,1,0,0,0,0|3,0,0]=4 526 B11R0.236 CCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000758301 [0,1,0,0,0,0|3,0,0]=4 527 B11R0.236 CCCC(OC(C)CC)C(=O)N 34a_100011626294_100011215416 [0,1,0,0,0,0|3,0,0]=4 528 B11R0.236 CCCC(OC(C)CC)C(=O)N 7a_100011626294_100000758301 [0,1,0,0,0,0|3,0,0]=4 529 B11R0.236 CCCC(OC(C)CO)C(=O)N 34a_100011626294_100012180447 [0,1,0,0,0,0|2,0,0]=3 530 B11R0.236 CCCC(OC(C)CO)C(=O)N 7a_100011626294_100012180447 [0,1,0,0,0,0|2,0,0]=3 531 B11R0.236 CCCN(CC(O)CO)C(=O)C 240690a_200000156893_100015343762 [0,1,0,0,0,0|2,0,0]=3 532 B11R0.236 CCCN(CC(O)CO)C(=O)C 527a_200000156893_100103153847 [0,1,0,0,0,0|2,0,0]=3 533 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 240690a_100000729256_100000210174 [0,1,0,0,0,0|2,0,1]=4 534 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 527a_100000729256_100000210174 [0,1,0,0,0,0|2,0,1]=4 535 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [0,1,0,0,0,0|2,0,1]=4 536 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 2230a_100000729256_100000758301 [0,1,0,0,0,0|3,0,0]=4 537 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 34a_100000729256_100011215416 [0,1,0,0,0,0|3,0,0]=4 538 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,1,0,0,0,0|2,0,0]=3 539 B11R0.236 CCC[C@H](NC(C)CO)C(=O)N 2230a_100000729256_100012180447 [0,1,0,0,0,0|2,0,0]=3 540 B11R0.236 CCC[C@H](NC(C)CO)C(=O)N 34a_100000729256_100012180447 [0,1,0,0,0,0|2,0,0]=3 541 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,1,0,0,0,0|3,0,0]=4 542 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,1,0,0,0,0|1,0,0]=2 543 B11R0.236 COC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100011998655_100016084084 [0,1,0,0,0,0|2,0,0]=3 544 B11R0.236 CSC[C@H](N[C@H](C)CO)C(=O)O 269956a_100011421858_100016084084 [0,1,0,0,0,0|2,0,0]=3 545 B11R0.236 C[Se]C[C@H](N[C@H](C)CO)C(=O)O 269956a_100015254316_100016084084 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,0,0,1,0,0|3,0,0]=4 547 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,0,0,1,0,0|3,0,0]=4 548 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,0,0,1,0,0|3,0,0]=4 549 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,0,0,1,0,0|3,0,0]=4 550 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,0,0,1,0,0|3,0,0]=4 551 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,0,0,1,0,0|3,0,0]=4 552 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,0,0,1,0,0|3,0,0]=4 553 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,0,0,1,0,0|3,0,0]=4 554 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,0,0,1,0,0|3,0,0]=4 555 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,0,0,1,0,0|3,0,0]=4 556 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,0,0,1,0,0|3,0,0]=4 557 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,0,0,1,0,0|3,0,0]=4 558 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,0,0,1,0,0|3,0,0]=4 559 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,0,0,1,0,0|3,0,0]=4 560 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,0,0,1,0,0|3,0,0]=4 561 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,0,0,1,0,0|3,0,0]=4 562 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,0,0,1,0,0|3,0,0]=4 563 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,0,0,1,0,0|3,0,0]=4 564 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,0,0,1,0,0|3,0,0]=4 565 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [0,0,0,1,0,0|3,0,0]=4 566 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [0,0,0,1,0,0|3,0,0]=4 567 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [0,0,0,1,0,0|3,0,0]=4 568 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [0,0,0,1,0,0|3,0,0]=4 569 B11R1.17 NCCOC1CCCNC1=O 34a_100000210304_100000687798 [0,0,0,1,0,0|3,0,0]=4 570 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [0,0,0,1,0,0|3,0,0]=4 571 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [0,0,0,1,0,0|3,0,0]=4 572 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [0,0,0,1,0,0|3,0,0]=4 573 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,0,0,1,0,0|2,0,0]=3 574 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [0,0,0,1,0,0|3,0,0]=4 575 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [0,0,0,1,0,0|3,0,0]=4 576 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,0,0,1,0,0|2,0,0]=3 577 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [0,0,0,1,0,0|3,0,0]=4 578 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [0,0,0,1,0,0|3,0,0]=4 579 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,0,0,1,0,0|2,0,0]=3 580 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,0,0,1,0,0|2,0,0]=3 581 B11R1.17 O=C1CCOCC1NCCO 34a_100016990907_100012180262 [0,0,0,1,0,0|3,0,0]=4 582 B11R1.17 O=C1CCOCC1SCCO 62a_100000211926_100012180262 [0,0,0,1,0,0|3,0,0]=4 583 B11R1.17 O=C1CCOCC1SCCO 62a_100012180262_100000211926 [0,0,0,1,0,0|3,0,0]=4 584 B11R1.17 O=C1NCCCC1NCCF 2230a_100000747585_100011217306 [0,0,0,1,0,0|3,0,0]=4 585 B11R1.17 O=C1NCCCC1NCCF 34a_100000724931_100000687798 [0,0,0,1,0,0|3,0,0]=4 586 B11R1.17 O=C1NCCCC1NCCF 34a_100000747585_100011217306 [0,0,0,1,0,0|3,0,0]=4 587 B11R1.17 O=C1NCCCC1NCCO 2230a_100000747585_100000211926 [0,0,0,1,0,0|2,0,0]=3 588 B11R1.17 O=C1NCCCC1NCCO 2230a_100016997473_100000687798 [0,0,0,1,0,0|2,0,0]=3 589 B11R1.17 O=C1NCCCC1NCCO 34a_100000747585_100000211926 [0,0,0,1,0,0|2,0,0]=3 590 B11R1.17 O=C1NCCCC1NCCO 34a_100016990907_100000687798 [0,0,0,1,0,0|2,0,0]=3 591 B11R1.17 O=C1NCCCC1OCCBr 34a_100000211926_100000687798 [0,0,0,1,0,0|3,0,0]=4 592 B11R1.17 O=C1NCCCC1OCCF 34a_100000073722_100011217306 [0,0,0,1,0,0|3,0,0]=4 593 B11R1.17 O=C1NCCCC1OCCO 34a_100000073722_100000211926 [0,0,0,1,0,0|2,0,0]=3 594 B11R1.17 O=C1NCCCC1SCCF 62a_100000687798_100011217306 [0,0,0,1,0,0|3,0,0]=4 595 B11R1.17 O=C1NCCCC1SCCF 62a_100011217306_100000687798 [0,0,0,1,0,0|3,0,0]=4 596 B11R1.17 O=C1NCCCC1SCCO 62a_100000211926_100000687798 [0,0,0,1,0,0|2,0,0]=3 597 B11R1.17 O=C1NCCCC1SCCO 62a_100000687798_100000211926 [0,0,0,1,0,0|2,0,0]=3 598 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [0,0,0,1,0,0|2,0,1]=4 599 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [0,0,0,1,0,0|2,0,1]=4 600 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [0,0,0,1,0,0|2,0,1]=4 601 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [0,0,0,1,0,0|3,0,0]=4 602 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [0,0,0,1,0,0|3,0,0]=4 603 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [0,0,0,1,0,0|3,0,0]=4 604 B11R1.21 CC(=O)N1CCC(C(C1)C)O 240690a_100011998114_100015343762 [0,0,0,1,0,0|2,0,0]=3 605 B11R1.21 CC(=O)N1CCC(C(C1)C)O 527a_100011998114_100103153847 [0,0,0,1,0,0|2,0,0]=3 606 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)F)O 240690a_200016994291_100015343762 [0,0,0,1,0,0|3,0,0]=4 607 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)F)O 527a_200016994291_100103153847 [0,0,0,1,0,0|3,0,0]=4 608 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 11a_100000690696_100015343762 [0,0,0,1,0,0|3,0,0]=4 609 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 240690a_100000690696_100015343762 [0,0,0,1,0,0|3,0,0]=4 610 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 527a_100000690696_100103153847 [0,0,0,1,0,0|3,0,0]=4 611 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,0,1,0,0|3,0,0]=4 612 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,0,1,0,0|3,0,0]=4 613 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,0,1,0,0|3,0,0]=4 614 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,0,1,0,0|3,0,0]=4 615 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,0,1,0,0|3,0,0]=4 616 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,0,0,1,0,0|3,0,0]=4 617 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,0,0,1,0,0|3,0,0]=4 618 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,0,0,1,0,0|3,0,0]=4 619 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,0,1,0,0|3,0,0]=4 620 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,0,0,1,0,0|2,0,0]=3 621 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,0,0,1,0,0|3,0,0]=4 622 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,0,0,1,0,0|3,0,0]=4 623 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,0,0,1,0,0|3,0,0]=4 624 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,0,0,1,0,0|2,0,0]=3 625 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,0,0,1,0,0|3,0,0]=4 626 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,0,0,1,0,0|2,0,0]=3 627 B11R1.193 C#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000184674 [0,0,0,1,0,0|2,0,1]=4 628 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [0,0,0,1,0,0|2,0,1]=4 629 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,0,0,1,0,0|3,0,0]=4 630 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,0,0,1,0,0|2,0,0]=3 631 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [0,0,0,1,0,0|3,0,0]=4 632 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [0,0,0,1,0,0|3,0,0]=4 633 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [0,0,0,1,0,0|3,0,0]=4 634 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [0,0,0,1,0,0|3,0,0]=4 635 B11R1.193 N#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215382 [0,0,0,1,0,0|2,0,1]=4 636 B11R1.193 NC(=O)[C@@H]1CCCN1CCF 2230a_100000003125_100011217306 [0,0,0,1,0,0|3,0,0]=4 637 B11R1.193 NC(=O)[C@@H]1CCCN1CCO 2230a_100000003125_100000211926 [0,0,0,1,0,0|2,0,0]=3 638 B11R1.193 O=C(O)C1SCCN1CCF 269956a_100000035718_100011217306 [0,0,0,1,0,0|3,0,0]=4 639 B11R1.193 O=C(O)C1SCCN1CCO 269956a_100000035718_100000211926 [0,0,0,1,0,0|2,0,0]=3 640 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO 269956a_100000057196_100000211926 [0,0,0,1,0,0|1,0,2]=4 641 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [0,0,0,1,0,0|2,0,0]=3 642 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [0,0,0,1,0,0|1,0,0]=2 643 B11R1.193 O=C(O)[C@@H]1CSCN1CCF 269956a_100000743924_100011217306 [0,0,0,1,0,0|3,0,0]=4 644 B11R1.193 O=C(O)[C@@H]1CSCN1CCO 269956a_100000743924_100000211926 [0,0,0,1,0,0|2,0,0]=3 645 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [0,0,0,1,0,0|1,0,2]=4 646 B11R1.230 C#CCNC1CC(OC1=O)C 34a_100000212058_200000216747 [0,0,0,1,0,0|2,0,1]=4 647 B11R1.230 C#CCOC1CC(OC1=O)C 34a_100000210247_200000216747 [0,0,0,1,0,0|2,0,1]=4 648 B11R1.230 C#CCSC1CC(OC1=O)C 62a_100000038162_200000216747 [0,0,0,1,0,0|2,0,1]=4 649 B11R1.230 C=CCNC1CC(OC1=O)C 2230a_100020586998_200000216747 [0,0,0,1,0,0|2,0,1]=4 650 B11R1.230 C=CCOC1CC(OC1=O)C 34a_200000210373_200000216747 [0,0,0,1,0,0|2,0,1]=4 651 B11R1.230 C=CCSC1CC(OC1=O)C 62a_100000210623_200000216747 [0,0,0,1,0,0|2,0,1]=4 652 B11R1.230 C=CCSC1CC(OC1=O)C 62a_200000216747_100000210623 [0,0,0,1,0,0|2,0,1]=4 653 B11R1.230 CC1CC(C(=O)O1)NCCF 34a_100000724931_200000216747 [0,0,0,1,0,0|2,0,0]=3 654 B11R1.230 CC1CC(C(=O)O1)NCCO 2230a_100016997473_200000216747 [0,0,0,1,0,0|1,0,0]=2 655 B11R1.230 CC1CC(C(=O)O1)NCCO 34a_100016990907_200000216747 [0,0,0,1,0,0|1,0,0]=2 656 B11R1.230 CC1CC(C(=O)O1)OCCBr 34a_100000211926_200000216747 [0,0,0,1,0,0|2,0,0]=3 657 B11R1.230 CC1CC(C(=O)O1)OCCN 34a_100000210304_200000216747 [0,0,0,1,0,0|2,0,0]=3 658 B11R1.230 CC1CC(C(=O)O1)SCC#N 62a_100011215382_200000216747 [0,0,0,1,0,0|2,0,1]=4 659 B11R1.230 CC1CC(C(=O)O1)SCC#N 62a_200000216747_100011215382 [0,0,0,1,0,0|2,0,1]=4 660 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200000216747_200015260668 [0,0,0,1,0,0|1,0,2]=4 661 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200015260668_200000216747 [0,0,0,1,0,0|1,0,2]=4 662 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_100011217306_200000216747 [0,0,0,1,0,0|2,0,0]=3 663 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_200000216747_100011217306 [0,0,0,1,0,0|2,0,0]=3 664 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_100000211926_200000216747 [0,0,0,1,0,0|1,0,0]=2 665 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_200000216747_100000211926 [0,0,0,1,0,0|1,0,0]=2 666 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,0,0,1,0,0|2,0,0]=3 667 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,0,0,1,0,0|2,0,0]=3 668 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,0,0,1,0,0|2,0,0]=3 669 B11R1.230 COCSC1CC(OC1=O)C 62a_100000766300_200000216747 [0,0,0,1,0,0|3,0,0]=4 670 B11R1.230 COCSC1CC(OC1=O)C 62a_200000216747_100000766300 [0,0,0,1,0,0|3,0,0]=4 671 B11R1.230 CSCSC1CC(OC1=O)C 62a_100011218213_200000216747 [0,0,0,1,0,0|3,0,0]=4 672 B11R1.230 CSCSC1CC(OC1=O)C 62a_200000216747_100011218213 [0,0,0,1,0,0|3,0,0]=4 673 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 2230a_100015977457_100000211926 [0,0,0,1,0,0|2,0,1]=4 674 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 34a_100015977457_100000211926 [0,0,0,1,0,0|2,0,1]=4 675 B11R1.266 CC(=O)N1CCCC(C1)CF 11a_100016992999_100015343762 [0,0,0,1,0,0|3,0,0]=4 676 B11R1.266 CC(=O)N1CCCC(C1)CF 1626a_100016992999_100015343762 [0,0,0,1,0,0|3,0,0]=4 677 B11R1.266 CC(=O)N1CCCC(C1)CF 240690a_100016992999_100015343762 [0,0,0,1,0,0|3,0,0]=4 678 B11R1.266 CC(=O)N1CCCC(C1)CF 527a_100016992999_100103153847 [0,0,0,1,0,0|3,0,0]=4 679 B11R1.266 CC(=O)N1CCCC(C1)CO 240690a_100000211344_100015343762 [0,0,0,1,0,0|2,0,0]=3 680 B11R1.266 CC(=O)N1CCCC(C1)CO 527a_100000211344_100103153847 [0,0,0,1,0,0|2,0,0]=3 681 B11R1.266 CC(=O)N1CCO[C@@H](C1)CO 240690a_100015189573_100015343762 [0,0,0,1,0,0|3,0,0]=4 682 B11R1.266 CC(=O)N1CCO[C@@H](C1)CO 527a_100015189573_100103153847 [0,0,0,1,0,0|3,0,0]=4 683 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [0,0,0,1,0,0|3,0,0]=4 684 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [0,0,0,1,0,0|3,0,0]=4 685 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [0,0,0,1,0,0|3,0,0]=4 686 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [0,0,0,1,0,0|3,0,0]=4 687 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [0,0,0,1,0,0|3,0,0]=4 688 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,0,0,1,0,0|3,0,0]=4 689 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,0,0,1,0,0|3,0,0]=4 690 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,0,0,1,0,0|2,0,0]=3 691 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,0,0,1,0,0|3,0,0]=4 692 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,0,0,1,0,0|3,0,0]=4 693 B11R1.266 NC(=O)C1CCCN(C1)CF 269982a_100000195536_100015361967 [0,0,0,1,0,0|3,0,0]=4 694 B11R1.266 NC(=O)C1CCCN(C1)CF 34a_100000195536_100015361967 [0,0,0,1,0,0|3,0,0]=4 695 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,0,0,1,0,0|3,0,0]=4 696 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,0,0,1,0,0|3,0,0]=4 697 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,0,0,1,0,0|2,0,0]=3 698 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,0,0,1,0,0|3,0,0]=4 699 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,0,0,1,0,0|3,0,0]=4 700 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,0,0,1,0,0|3,0,0]=4 701 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,0,0,1,0,0|3,0,0]=4 702 B11R1.565 CC(=O)N1CCCC(CC1)O 240690a_100015186869_100015343762 [0,0,0,1,0,0|2,0,0]=3 703 B11R1.565 CC(=O)N1CCCC(CC1)O 527a_100015186869_100103153847 [0,0,0,1,0,0|2,0,0]=3 704 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,0,0,1,0,0|2,0,0]=3 705 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,0,0,1,0,0|2,0,0]=3 706 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,0,0,1,0,0|2,0,1]=4 707 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,0,0,1,0,0|3,0,0]=4 708 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,0,0,1,0,0|3,0,0]=4 709 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,0,0,1,0,0|3,0,0]=4 710 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,0,0,1,0,0|3,0,0]=4 711 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [0,0,0,1,0,0|2,0,0]=3 712 B11R1.760 O=C(O)C(NCF)C1CCC1 269956a_100000765838_100015361967 [0,0,0,1,0,0|3,0,0]=4 713 B11R1.806 CCCC(OC1CC1)C(=O)N 34a_100011626294_100000211595 [0,0,0,1,0,0|3,0,0]=4 714 B11R1.806 CCCN(CC1CC1)C(=O)C 11a_100000210729_100015343762 [0,0,0,1,0,0|3,0,0]=4 715 B11R1.806 CCCN(CC1CC1)C(=O)C 1626a_100000210729_100015343762 [0,0,0,1,0,0|3,0,0]=4 716 B11R1.806 CCCN(CC1CC1)C(=O)C 240690a_100000210729_100015343762 [0,0,0,1,0,0|3,0,0]=4 717 B11R1.806 CCCN(CC1CC1)C(=O)C 527a_100000210729_100103153847 [0,0,0,1,0,0|3,0,0]=4 718 B11R1.806 CCC[C@H](NC1CC1)C(=O)N 34a_100000729256_100000211595 [0,0,0,1,0,0|3,0,0]=4 719 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [0,0,0,1,0,0|2,0,0]=3 720 B11R1.806 COC[C@@H](NC1CC1)C(=O)O 269956a_100011998655_100000211595 [0,0,0,1,0,0|3,0,0]=4 721 B11R1.806 CSC[C@H](NC1CC1)C(=O)O 269956a_100011421858_100000211595 [0,0,0,1,0,0|3,0,0]=4 722 B11R1.806 C[Se]C[C@H](NC1CC1)C(=O)O 269956a_100015254316_100000211595 [0,0,0,1,0,0|3,0,0]=4 723 B11R1.905 C#CCNC1(CCC1)C(=O)O 269956a_100000688724_100000184674 [0,0,0,1,0,0|2,0,1]=4 724 B11R1.905 C=CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210623 [0,0,0,1,0,0|2,0,1]=4 725 B11R1.905 CCCNC1(CCC1)C(=O)O 269956a_100000688724_100000210207 [0,0,0,1,0,0|2,0,0]=3 726 B11R1.905 CCNCC1(CCC1)C(=O)O 269956a_100000729485_100000210202 [0,0,0,1,0,0|2,0,0]=3 727 B11R1.905 COCNC1(CCC1)C(=O)O 269956a_100000688724_100000766300 [0,0,0,1,0,0|3,0,0]=4 728 B11R1.905 CSCNC1(CCC1)C(=O)O 269956a_100000688724_100011218213 [0,0,0,1,0,0|3,0,0]=4 729 B11R1.905 N#CCNC1(CCC1)C(=O)O 269956a_100000688724_100011215382 [0,0,0,1,0,0|2,0,1]=4 730 B11R1.905 O=C(O)C1(CCC1)CNCF 269956a_100000729485_100015361967 [0,0,0,1,0,0|2,0,0]=3 731 B11R1.905 O=C(O)C1(CCC1)NCCF 269956a_100000688724_100011217306 [0,0,0,1,0,0|2,0,0]=3 732 B11R1.905 O=C(O)C1(CCC1)NCCO 269956a_100000688724_100000211926 [0,0,0,1,0,0|1,0,0]=2 733 B11R1.905 O=CCNC1(CCC1)C(=O)O 269956a_100000688724_200015260668 [0,0,0,1,0,0|1,0,2]=4 734 B11R1.1239 CCNC1(CCCC1)C(=O)N 2230a_100000755618_100000210202 [0,0,0,1,0,0|3,0,0]=4 735 B11R1.1239 CCNC1(CCCC1)C(=O)N 34a_100000755618_100000210202 [0,0,0,1,0,0|3,0,0]=4 736 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [0,0,0,1,0,0|2,0,0]=3 737 B11R1.1239 CNCC1(CCCC1)C(=O)O 269956a_100000695985_200000210301 [0,0,0,1,0,0|2,0,0]=3 738 B11R1.1239 O=C(O)C1(CCCC1)NCF 269956a_100000739329_100015361967 [0,0,0,1,0,0|3,0,0]=4 739 B11R1.1239 [13CH3]NCC1(CCCC1)C(=O)O 269956a_100000695985_200025704644 [0,0,0,1,0,0|2,0,0]=3 740 B11R0.47 C#CCN(CCCO)CC(=O)O 269956a_100011236498_100011215043 [0,0,0,0,0,1|1,0,2]=4 741 B11R0.47 C=CCN(CCCO)CC(=O)O 269956a_100000744315_100011215043 [0,0,0,0,0,1|1,0,2]=4 742 B11R0.47 CCCCN(CCC)CC(=O)N 2230a_200000207744_100000747473 [0,0,0,0,0,1|3,0,0]=4 743 B11R0.47 CCCCN(CCC)CC(=O)N 269982a_200000207744_100000187820 [0,0,0,0,0,1|3,0,0]=4 744 B11R0.47 CCCCN(CCC)CC(=O)[O-] 269982a_200000207744_100020667443 [0,0,0,0,0,1|2,0,1]=4 745 B11R0.47 CCCCN(CCO)CC(=O)O 269956a_100000747938_100000210211 [0,0,0,0,0,1|3,0,0]=4 746 B11R0.47 CCCN(CCC#N)CC(=O)O 269956a_100011218032_100000210207 [0,0,0,0,0,1|2,0,1]=4 747 B11R0.47 NC(=O)CN(CCO)CCCO 2230a_200000212863_100000747473 [0,0,0,0,0,1|3,0,0]=4 748 B11R0.47 NC(=O)CN(CCO)CCCO 269982a_200000212863_100000187820 [0,0,0,0,0,1|3,0,0]=4 749 B11R0.47 O=C(O)CN(CCO)CCCF 269956a_100000747938_100011934791 [0,0,0,0,0,1|3,0,0]=4 750 B11R0.47 O=C(O)CN(CCO)CCCO 269956a_100000747938_100011215043 [0,0,0,0,0,1|2,0,0]=3 751 B11R0.47 O=C([O-])CN(CCO)CCCO 269982a_200000212863_100020667443 [0,0,0,0,0,1|2,0,1]=4 752 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [2,0,0,0,0,0|2,0,0]=4 753 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [2,0,0,0,0,0|2,0,0]=4 754 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [2,0,0,0,0,0|2,0,0]=4 755 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [2,0,0,0,0,0|2,0,0]=4 756 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [2,0,0,0,0,0|2,0,0]=4 757 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [2,0,0,0,0,0|2,0,0]=4 758 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [2,0,0,0,0,0|2,0,0]=4 759 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [2,0,0,0,0,0|2,0,0]=4 760 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [2,0,0,0,0,0|2,0,0]=4 761 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [2,0,0,0,0,0|2,0,0]=4 762 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [2,0,0,0,0,0|2,0,0]=4 763 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [2,0,0,0,0,0|2,0,0]=4 764 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [2,0,0,0,0,0|2,0,0]=4 765 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [2,0,0,0,0,0|2,0,0]=4 766 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [2,0,0,0,0,0|2,0,0]=4 767 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [2,0,0,0,0,0|2,0,0]=4 768 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [2,0,0,0,0,0|2,0,0]=4 769 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [2,0,0,0,0,0|2,0,0]=4 770 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [2,0,0,0,0,0|2,0,0]=4 771 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [2,0,0,0,0,0|2,0,0]=4 772 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [2,0,0,0,0,0|2,0,0]=4 773 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [2,0,0,0,0,0|1,0,0]=3 774 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [2,0,0,0,0,0|1,0,1]=4 775 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [2,0,0,0,0,0|2,0,0]=4 776 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [2,0,0,0,0,0|2,0,0]=4 777 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [2,0,0,0,0,0|1,0,1]=4 778 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [2,0,0,0,0,0|1,0,0]=3 779 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [2,0,0,0,0,0|1,0,0]=3 780 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [2,0,0,0,0,0|1,0,0]=3 781 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [2,0,0,0,0,0|2,0,0]=4 782 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [2,0,0,0,0,0|2,0,0]=4 783 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [2,0,0,0,0,0|2,0,0]=4 784 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [2,0,0,0,0,0|2,0,0]=4 785 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 786 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 787 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 788 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [2,0,0,0,0,0|2,0,0]=4 789 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [2,0,0,0,0,0|2,0,0]=4 790 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [2,0,0,0,0,0|2,0,0]=4 791 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [2,0,0,0,0,0|1,0,0]=3 792 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [2,0,0,0,0,0|2,0,0]=4 793 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [2,0,0,0,0,0|2,0,0]=4 794 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [2,0,0,0,0,0|1,0,0]=3 795 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [2,0,0,0,0,0|2,0,0]=4 796 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [2,0,0,0,0,0|2,0,0]=4 797 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [2,0,0,0,0,0|2,0,0]=4 798 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [2,0,0,0,0,0|2,0,0]=4 799 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [2,0,0,0,0,0|2,0,0]=4 800 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [2,0,0,0,0,0|1,0,0]=3 801 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [2,0,0,0,0,0|2,0,0]=4 802 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [2,0,0,0,0,0|2,0,0]=4 803 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [2,0,0,0,0,0|1,0,0]=3 804 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [2,0,0,0,0,0|2,0,0]=4 805 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [2,0,0,0,0,0|2,0,0]=4 806 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [2,0,0,0,0,0|2,0,0]=4 807 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [2,0,0,0,0,0|2,0,0]=4 808 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [2,0,0,0,0,0|2,0,0]=4 809 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [2,0,0,0,0,0|2,0,0]=4 810 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [2,0,0,0,0,0|2,0,0]=4 811 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [2,0,0,0,0,0|2,0,0]=4 812 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [2,0,0,0,0,0|2,0,0]=4 813 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [2,0,0,0,0,0|2,0,0]=4 814 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [2,0,0,0,0,0|2,0,0]=4 815 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [2,0,0,0,0,0|2,0,0]=4 816 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [2,0,0,0,0,0|2,0,0]=4 817 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [2,0,0,0,0,0|2,0,0]=4 818 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [2,0,0,0,0,0|2,0,0]=4 819 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [2,0,0,0,0,0|2,0,0]=4 820 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [2,0,0,0,0,0|2,0,0]=4 821 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [2,0,0,0,0,0|2,0,0]=4 822 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [2,0,0,0,0,0|2,0,0]=4 823 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [2,0,0,0,0,0|2,0,0]=4 824 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [2,0,0,0,0,0|2,0,0]=4 825 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [2,0,0,0,0,0|2,0,0]=4 826 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [2,0,0,0,0,0|2,0,0]=4 827 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [2,0,0,0,0,0|2,0,0]=4 828 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [2,0,0,0,0,0|2,0,0]=4 829 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [2,0,0,0,0,0|2,0,0]=4 830 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [2,0,0,0,0,0|2,0,0]=4 831 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [2,0,0,0,0,0|2,0,0]=4 832 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [2,0,0,0,0,0|2,0,0]=4 833 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [2,0,0,0,0,0|2,0,0]=4 834 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [2,0,0,0,0,0|2,0,0]=4 835 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [2,0,0,0,0,0|2,0,0]=4 836 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [2,0,0,0,0,0|2,0,0]=4 837 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 838 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 839 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|1,0,1]=4 840 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|0,0,1]=3 841 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [2,0,0,0,0,0|1,0,1]=4 842 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [2,0,0,0,0,0|1,0,1]=4 843 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [2,0,0,0,0,0|1,0,1]=4 844 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [2,0,0,0,0,0|1,0,1]=4 845 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [2,0,0,0,0,0|1,0,1]=4 846 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [2,0,0,0,0,0|1,0,1]=4 847 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [2,0,0,0,0,0|1,0,1]=4 848 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [2,0,0,0,0,0|1,0,1]=4 849 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [2,0,0,0,0,0|1,0,1]=4 850 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [2,0,0,0,0,0|1,0,1]=4 851 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|1,0,1]=4 852 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|1,0,1]=4 853 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [2,0,0,0,0,0|1,0,1]=4 854 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [2,0,0,0,0,0|1,0,1]=4 855 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [2,0,0,0,0,0|1,0,1]=4 856 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [2,0,0,0,0,0|1,0,1]=4 857 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [2,0,0,0,0,0|1,0,1]=4 858 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [2,0,0,0,0,0|1,0,1]=4 859 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [2,0,0,0,0,0|1,0,1]=4 860 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [2,0,0,0,0,0|1,0,1]=4 861 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [2,0,0,0,0,0|1,0,1]=4 862 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [2,0,0,0,0,0|1,0,1]=4 863 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [2,0,0,0,0,0|1,0,1]=4 864 B10R0.17 CC(=O)N(CCCO)C(C)C 240690a_100000182298_100015343762 [1,1,0,0,0,0|2,0,0]=4 865 B10R0.17 CC(=O)N(CCCO)C(C)C 527a_100000182298_100103153847 [1,1,0,0,0,0|2,0,0]=4 866 B10R0.17 CC(C)C(NCCO)C(=O)N 34a_100016990907_100000230017 [1,1,0,0,0,0|2,0,0]=4 867 B10R0.17 CC(C)C(SCCO)C(=O)N 62a_100000211926_100000230017 [1,1,0,0,0,0|2,0,0]=4 868 B10R0.17 CC(C)C(SCCO)C(=O)N 62a_100000230017_100000211926 [1,1,0,0,0,0|2,0,0]=4 869 B10R0.17 CC(C)[C@@H](NCCF)C(=O)O 269956a_100000745019_100011217306 [1,1,0,0,0,0|2,0,0]=4 870 B10R0.17 CC(C)[C@@H](NCCO)C(=O)O 269956a_100000745019_100000211926 [1,1,0,0,0,0|1,0,0]=3 871 B10R0.17 CC(O)C(NCCF)C(=O)O 269956a_100000185852_100011217306 [1,1,0,0,0,0|2,0,0]=4 872 B10R0.17 CC(O)C(NCCO)C(=O)O 269956a_100000185852_100000211926 [1,1,0,0,0,0|1,0,0]=3 873 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [1,1,0,0,0,0|2,0,0]=4 874 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [1,1,0,0,0,0|2,0,0]=4 875 B10R0.17 C[C@@H](O)[C@H](NCCO)C(=O)N 2230a_100000003557_100000211926 [1,1,0,0,0,0|2,0,0]=4 876 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [1,1,0,0,0,0|2,0,0]=4 877 B10R0.53 CCC(NC(C)CO)C(=O)N 2230a_100000733705_100012180447 [1,1,0,0,0,0|2,0,0]=4 878 B10R0.53 CCC(NC(C)CO)C(=O)N 34a_100000733705_100012180447 [1,1,0,0,0,0|2,0,0]=4 879 B10R0.53 CCC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000750255 [1,1,0,0,0,0|2,0,0]=4 880 B10R0.53 CCC(SC(C)CO)C(=O)N 62a_100012180447_100000750255 [1,1,0,0,0,0|2,0,0]=4 881 B10R0.53 CCC(S[C@H](C)CO)C(=O)N 62a_100000750255_100016084084 [1,1,0,0,0,0|2,0,0]=4 882 B10R0.53 CCC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000750255 [1,1,0,0,0,0|2,0,0]=4 883 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [1,1,0,0,0,0|1,0,0]=3 884 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [1,1,0,0,0,0|2,0,0]=4 885 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [1,1,0,0,0,0|2,0,0]=4 886 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000210904_100000750255 [1,1,0,0,0,0|2,0,0]=4 887 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000733705_100011218427 [1,1,0,0,0,0|2,0,0]=4 888 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000210904_100000750255 [1,1,0,0,0,0|2,0,0]=4 889 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000733705_100011218427 [1,1,0,0,0,0|2,0,0]=4 890 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 2230a_100000733705_100009817552 [1,1,0,0,0,0|2,0,0]=4 891 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 34a_100000733705_100009817552 [1,1,0,0,0,0|2,0,0]=4 892 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100000750255_100011218427 [1,1,0,0,0,0|2,0,0]=4 893 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100011218427_100000750255 [1,1,0,0,0,0|2,0,0]=4 894 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100000750255_100009817552 [1,1,0,0,0,0|2,0,0]=4 895 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000750255 [1,1,0,0,0,0|2,0,0]=4 896 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [1,1,0,0,0,0|2,0,0]=4 897 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [1,1,0,0,0,0|1,0,0]=3 898 B10R0.84 CC[C@@H](NCC(F)F)C(=O)O 269956a_100000747097_100011934356 [1,1,0,0,0,0|2,0,0]=4 899 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [1,1,0,0,0,0|1,0,0]=3 900 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [1,1,0,0,0,0|2,0,0]=4 901 B10R0.85 C#CC(=O)C(CC)CCCC 1458a_100000211873_200011216223 [1,1,0,0,0,0|2,0,0]=4 902 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [1,1,0,0,0,0|2,0,0]=4 903 B10R0.85 CCC(=O)C(CC)OCCO 34a_200011218131_100000211926 [1,1,0,0,0,0|2,0,0]=4 904 B10R0.85 CCC(=O)C(CC)OCCO 7a_200011218131_100000211926 [1,1,0,0,0,0|2,0,0]=4 905 B10R0.85 CCC(NCCF)C(=O)OC 34a_100000724931_100000235869 [1,1,0,0,0,0|2,0,0]=4 906 B10R0.85 CCC(NCCO)C(=O)OC 2230a_100016997473_100000235869 [1,1,0,0,0,0|1,0,0]=3 907 B10R0.85 CCC(NCCO)C(=O)OC 34a_100016990907_100000235869 [1,1,0,0,0,0|1,0,0]=3 908 B10R0.85 CCC(OCCBr)C(=O)OC 34a_100000211926_100000235869 [1,1,0,0,0,0|2,0,0]=4 909 B10R0.85 CCC(OCCF)C(=O)OC 34a_100000695916_100011217306 [1,1,0,0,0,0|2,0,0]=4 910 B10R0.85 CCC(OCCF)C(=O)OC 7a_100000695916_100011217306 [1,1,0,0,0,0|2,0,0]=4 911 B10R0.85 CCC(OCCN)C(=O)OC 34a_100000210304_100000235869 [1,1,0,0,0,0|2,0,0]=4 912 B10R0.85 CCC(OCCO)C(=O)OC 34a_100000695916_100000211926 [1,1,0,0,0,0|1,0,0]=3 913 B10R0.85 CCC(OCCO)C(=O)OC 7a_100000695916_100000211926 [1,1,0,0,0,0|1,0,0]=3 914 B10R0.85 CCC(SCCF)C(=O)OC 62a_100000235869_100011217306 [1,1,0,0,0,0|2,0,0]=4 915 B10R0.85 CCC(SCCF)C(=O)OC 62a_100011217306_100000235869 [1,1,0,0,0,0|2,0,0]=4 916 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000211926_100000235869 [1,1,0,0,0,0|1,0,0]=3 917 B10R0.85 CCC(SCCO)C(=O)OC 62a_100000235869_100000211926 [1,1,0,0,0,0|1,0,0]=3 918 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [1,1,0,0,0,0|2,0,0]=4 919 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [1,1,0,0,0,0|2,0,0]=4 920 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [1,1,0,0,0,0|2,0,0]=4 921 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [1,1,0,0,0,0|1,0,0]=3 922 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [1,1,0,0,0,0|2,0,0]=4 923 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [1,1,0,0,0,0|2,0,0]=4 924 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [1,1,0,0,0,0|2,0,0]=4 925 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [1,1,0,0,0,0|2,0,0]=4 926 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [1,1,0,0,0,0|2,0,0]=4 927 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [1,1,0,0,0,0|2,0,0]=4 928 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [1,1,0,0,0,0|2,0,0]=4 929 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [1,1,0,0,0,0|2,0,0]=4 930 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [1,1,0,0,0,0|2,0,0]=4 931 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [1,1,0,0,0,0|2,0,0]=4 932 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [1,1,0,0,0,0|2,0,0]=4 933 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [1,1,0,0,0,0|2,0,0]=4 934 B10R0.85 CCCCN(CC)C(=O)CO 240690a_100000207695_100000210174 [1,1,0,0,0,0|2,0,0]=4 935 B10R0.85 CCCCN(CC)C(=O)CO 527a_100000207695_100000210174 [1,1,0,0,0,0|2,0,0]=4 936 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000210258_100000235869 [1,1,0,0,0,0|2,0,0]=4 937 B10R0.85 CCCOC(CC)C(=O)OC 34a_100000695916_100000210303 [1,1,0,0,0,0|2,0,0]=4 938 B10R0.85 CCCOC(CC)C(=O)OC 7a_100000695916_100000210303 [1,1,0,0,0,0|2,0,0]=4 939 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000210303_100000235869 [1,1,0,0,0,0|2,0,0]=4 940 B10R0.85 CCCSC(CC)C(=O)OC 62a_100000235869_100000210303 [1,1,0,0,0,0|2,0,0]=4 941 B10R0.85 CC[C@H](NCCO)C(=O)NC 2230a_106657271573_100000211926 [1,1,0,0,0,0|2,0,0]=4 942 B10R0.85 CC[C@H](NCCO)C(=O)NC 34a_106657271573_100000211926 [1,1,0,0,0,0|2,0,0]=4 943 B10R0.85 COC(=O)C(CN)OCCO 34a_100000695228_100000211926 [1,1,0,0,0,0|2,0,0]=4 944 B10R0.85 COC(=O)C(CO)NCCO 34a_100016990907_100012276630 [1,1,0,0,0,0|2,0,0]=4 945 B10R0.85 COC(=O)C(CO)SCCO 62a_100000211926_100012276630 [1,1,0,0,0,0|2,0,0]=4 946 B10R0.85 COC(=O)C(CO)SCCO 62a_100012276630_100000211926 [1,1,0,0,0,0|2,0,0]=4 947 B10R0.85 COC(=O)C(NCCO)OC 34a_100016990907_100000101307 [1,1,0,0,0,0|2,0,0]=4 948 B10R0.85 COC(=O)C(OC)OCCO 34a_100000036821_100000211926 [1,1,0,0,0,0|2,0,0]=4 949 B10R0.85 COC(=O)C(OC)SCCO 62a_100000101307_100000211926 [1,1,0,0,0,0|2,0,0]=4 950 B10R0.85 COC(=O)C(OC)SCCO 62a_100000211926_100000101307 [1,1,0,0,0,0|2,0,0]=4 951 B10R0.86 C#CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000688953 [1,1,0,0,0,0|1,0,1]=4 952 B10R0.86 C=CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000754431 [1,1,0,0,0,0|1,0,1]=4 953 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [1,1,0,0,0,0|0,0,2]=4 954 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100000733705_100011934791 [1,1,0,0,0,0|2,0,0]=4 955 B10R0.86 CCC(NCCCF)C(=O)N 2230a_100015189416_100000750255 [1,1,0,0,0,0|2,0,0]=4 956 B10R0.86 CCC(NCCCF)C(=O)N 34a_100000733705_100011934791 [1,1,0,0,0,0|2,0,0]=4 957 B10R0.86 CCC(NCCCF)C(=O)N 34a_100015189416_100000750255 [1,1,0,0,0,0|2,0,0]=4 958 B10R0.86 CCC(NCCCO)C(=O)N 2230a_100000733705_100000230001 [1,1,0,0,0,0|1,0,0]=3 959 B10R0.86 CCC(NCCCO)C(=O)N 34a_100000733705_100000230001 [1,1,0,0,0,0|1,0,0]=3 960 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000209980_100000750255 [1,1,0,0,0,0|2,0,0]=4 961 B10R0.86 CCC(NCCOC)C(=O)N 2230a_100000733705_100011201679 [1,1,0,0,0,0|2,0,0]=4 962 B10R0.86 CCC(NCCOC)C(=O)N 34a_100000733705_100011201679 [1,1,0,0,0,0|2,0,0]=4 963 B10R0.86 CCC(OCCCBr)C(=O)N 34a_100011217188_100000750255 [1,1,0,0,0,0|2,0,0]=4 964 B10R0.86 CCC(OCCCCl)C(=O)N 34a_100000230001_100000750255 [1,1,0,0,0,0|2,0,0]=4 965 B10R0.86 CCC(OCCCF)C(=O)N 34a_100000759539_100000750255 [1,1,0,0,0,0|2,0,0]=4 966 B10R0.86 CCC(OCCCN)C(=O)N 34a_100000182051_100000750255 [1,1,0,0,0,0|2,0,0]=4 967 B10R0.86 CCC(OCCOC)C(=O)N 34a_100000210237_100000750255 [1,1,0,0,0,0|2,0,0]=4 968 B10R0.86 CCC(OCCON)C(=O)N 34a_100000700252_100000750255 [1,1,0,0,0,0|2,0,0]=4 969 B10R0.86 CCC(SCCCF)C(=O)N 62a_100000750255_100011934791 [1,1,0,0,0,0|2,0,0]=4 970 B10R0.86 CCC(SCCCF)C(=O)N 62a_100011934791_100000750255 [1,1,0,0,0,0|2,0,0]=4 971 B10R0.86 CCC(SCCCO)C(=O)N 62a_100000750255_100011215043 [1,1,0,0,0,0|1,0,0]=3 972 B10R0.86 CCC(SCCCO)C(=O)N 62a_100011215043_100000750255 [1,1,0,0,0,0|1,0,0]=3 973 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000233755_100000750255 [1,1,0,0,0,0|2,0,0]=4 974 B10R0.86 CCC(SCCOC)C(=O)N 62a_100000750255_100000233755 [1,1,0,0,0,0|2,0,0]=4 975 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [1,1,0,0,0,0|2,0,0]=4 976 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [1,1,0,0,0,0|2,0,0]=4 977 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [1,1,0,0,0,0|2,0,0]=4 978 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [1,1,0,0,0,0|2,0,0]=4 979 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [1,1,0,0,0,0|2,0,0]=4 980 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [1,1,0,0,0,0|2,0,0]=4 981 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [1,1,0,0,0,0|2,0,0]=4 982 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [1,1,0,0,0,0|1,0,0]=3 983 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [1,1,0,0,0,0|2,0,0]=4 984 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [1,1,0,0,0,0|2,0,0]=4 985 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [1,1,0,0,0,0|2,0,0]=4 986 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [1,1,0,0,0,0|2,0,0]=4 987 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [1,1,0,0,0,0|2,0,0]=4 988 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [1,1,0,0,0,0|2,0,0]=4 989 B10R0.86 CC[C@@H](NCCC#N)C(=O)O 269956a_100000747097_100011215226 [1,1,0,0,0,0|1,0,1]=4 990 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [1,1,0,0,0,0|1,0,0]=3 991 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [1,1,0,0,0,0|0,0,0]=2 992 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [1,1,0,0,0,0|1,0,0]=3 993 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [1,1,0,0,0,0|1,1,0]=4 994 B10R0.86 CC[C@H](NCCCO)[C@@H](C)O 2230a_100161114882_100000230001 [1,1,0,0,0,0|1,0,1]=4 995 B10R0.86 CC[C@H](NCCCO)[C@@H](C)O 34a_100161114882_100000230001 [1,1,0,0,0,0|1,0,1]=4 996 B10R0.86 COCCNC(CO)C(=O)O 269956a_100000187304_100000233755 [1,1,0,0,0,0|2,0,0]=4 997 B10R0.86 NC(=O)[C@H](CO)NCCCO 2230a_100000729942_100000230001 [1,1,0,0,0,0|2,0,0]=4 998 B10R0.86 NC(=O)[C@H](CO)NCCCO 34a_100000729942_100000230001 [1,1,0,0,0,0|2,0,0]=4 999 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [1,1,0,0,0,0|2,0,0]=4 1000 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [1,1,0,0,0,0|1,0,0]=3 1001 B10R0.101 CCC(C(=O)N)C(=O)CCO 1458a_100011216618_100000750255 [1,1,0,0,0,0|1,0,1]=4 1002 B10R0.101 CCC(C(=O)N)N(C)CCO 2230a_100000210263_100000750255 [1,1,0,0,0,0|2,0,0]=4 1003 B10R0.101 CCC(C(=O)N)N(C)CCO 269982a_100000210263_100000750255 [1,1,0,0,0,0|2,0,0]=4 1004 B10R0.101 CCN(C(=O)C)C(C)CCO 240690a_100011935059_100015343762 [1,1,0,0,0,0|2,0,0]=4 1005 B10R0.101 CCN(C(=O)C)C(C)CCO 527a_100011935059_100103153847 [1,1,0,0,0,0|2,0,0]=4 1006 B10R0.101 CC[C@@H](C(=O)N)N(C)CCO 2230a_103436537554_100000211926 [1,1,0,0,0,0|2,0,0]=4 1007 B10R0.101 CC[C@@H](C(=O)N)N(C)CCO 269982a_103436537554_100000211926 [1,1,0,0,0,0|2,0,0]=4 1008 B10R0.101 CN(CCO)[C@@H](CO)C(=O)O 269956a_100015362447_100000211926 [1,1,0,0,0,0|2,0,0]=4 1009 B10R0.133 CCC(C)(NCCF)C(=O)O 269956a_100025756313_100011217306 [1,1,0,0,0,0|2,0,0]=4 1010 B10R0.133 CCC(C)(NCCO)C(=O)O 269956a_100025756313_100000211926 [1,1,0,0,0,0|1,0,0]=3 1011 B10R0.133 CCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210207 [1,1,0,0,0,0|2,0,0]=4 1012 B10R0.23 CC(=O)N(CCO)CC(C)C 240690a_100015185251_100015343762 [1,1,0,0,0,0|2,0,0]=4 1013 B10R0.23 CC(=O)N(CCO)CC(C)C 527a_100015185251_100103153847 [1,1,0,0,0,0|2,0,0]=4 1014 B10R0.23 CC(=O)N(CCO)CC(C)O 240690a_100000731851_100015343762 [1,1,0,0,0,0|2,0,0]=4 1015 B10R0.23 CC(=O)N(CCO)CC(C)O 527a_100000731851_100103153847 [1,1,0,0,0,0|2,0,0]=4 1016 B10R0.23 CCCC(OC(C)C)C(=O)N 34a_100011626294_100000210206 [1,1,0,0,0,0|2,0,0]=4 1017 B10R0.23 CCCC(OC(C)C)C(=O)N 7a_100011626294_100000210206 [1,1,0,0,0,0|2,0,0]=4 1018 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [1,1,0,0,0,0|2,0,0]=4 1019 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [1,1,0,0,0,0|2,0,0]=4 1020 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [1,1,0,0,0,0|1,0,0]=3 1021 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [1,1,0,0,0,0|2,0,0]=4 1022 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [1,1,0,0,0,0|2,0,0]=4 1023 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [1,1,0,0,0,0|2,0,0]=4 1024 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [1,1,0,0,0,0|2,0,0]=4 1025 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [1,1,0,0,0,0|2,0,0]=4 1026 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [1,1,0,0,0,0|2,0,0]=4 1027 B10R0.30 CCCN(C(=O)C)C(C)CC 11a_200011216551_100015343762 [1,1,0,0,0,0|2,0,0]=4 1028 B10R0.30 CCCN(C(=O)C)C(C)CC 1626a_200011216551_100015343762 [1,1,0,0,0,0|2,0,0]=4 1029 B10R0.30 CCCN(C(=O)C)C(C)CC 240690a_200011216551_100015343762 [1,1,0,0,0,0|2,0,0]=4 1030 B10R0.30 CCCN(C(=O)C)C(C)CC 527a_200011216551_100103153847 [1,1,0,0,0,0|2,0,0]=4 1031 B10R0.30 CCCN(C(=O)C)C(C)CO 240690a_100011303929_100015343762 [1,1,0,0,0,0|2,0,0]=4 1032 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [1,1,0,0,0,0|1,0,0]=3 1033 B10R0.30 CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210202 [1,1,0,0,0,0|2,0,0]=4 1034 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [1,1,0,0,0,0|2,0,0]=4 1035 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [1,1,0,0,0,0|2,0,0]=4 1036 B10R0.73 C#CC(=O)C(CCC)CCC 1458a_100000211873_200011218217 [1,1,0,0,0,0|1,0,0]=3 1037 B10R0.73 C=CC(=O)C(CCC)CCC 1458a_100000185746_200011218217 [1,1,0,0,0,0|1,0,0]=3 1038 B10R0.73 C=CC(=O)N(CCC)CCC 1626a_100000210455_100000185746 [1,1,0,0,0,0|2,0,0]=4 1039 B10R0.73 C=CC(=O)N(CCC)CCC 240690a_100000210455_200121576911 [1,1,0,0,0,0|2,0,0]=4 1040 B10R0.73 C=CC(=O)N(CCC)CCO 240690a_100000211420_200121576911 [1,1,0,0,0,0|2,0,0]=4 1041 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100000210414_200011218217 [1,1,0,0,0,0|1,0,0]=3 1042 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100011215354_100000210202 [1,1,0,0,0,0|1,0,0]=3 1043 B10R0.73 CCCC(CCC)C(=O)CF 1458a_100011215354_100015361967 [1,1,0,0,0,0|1,0,0]=3 1044 B10R0.73 CCCC(CCC)C(=O)CO 1458a_100000210174_200011218217 [1,1,0,0,0,0|0,0,0]=2 1045 B10R0.73 CCCC(CCC)C(=O)NC 11a_106832991635_100011215354 [1,1,0,0,0,0|1,0,0]=3 1046 B10R0.73 CCCC(CCC)C(=O)NC 1626a_100102657272_100011215354 [1,1,0,0,0,0|1,0,0]=3 1047 B10R0.73 CCCC(CCC)C(=O)NC 240690a_100102657272_100011215354 [1,1,0,0,0,0|1,0,0]=3 1048 B10R0.73 CCCC(CCC)C(=O)NC 527a_100102657272_100011215354 [1,1,0,0,0,0|1,0,0]=3 1049 B10R0.73 CCCC(NCC)C(=O)NC 2230a_106256046333_100000210202 [1,1,0,0,0,0|2,0,0]=4 1050 B10R0.73 CCCC(NCC)C(=O)NC 34a_106256046333_100000210202 [1,1,0,0,0,0|2,0,0]=4 1051 B10R0.73 CCCC(NCC)C(=O)OC 2230a_100015525214_200009843822 [1,1,0,0,0,0|1,0,0]=3 1052 B10R0.73 CCCC(OCC)C(=O)OC 34a_100121572206_200009843822 [1,1,0,0,0,0|1,0,0]=3 1053 B10R0.73 CCCC(SCC)C(=O)OC 62a_100000210202_200009843822 [1,1,0,0,0,0|1,0,0]=3 1054 B10R0.73 CCCC(SCC)C(=O)OC 62a_200009843822_100000210202 [1,1,0,0,0,0|1,0,0]=3 1055 B10R0.73 CCCC(SCF)C(=O)OC 62a_100015361967_200009843822 [1,1,0,0,0,0|2,0,0]=4 1056 B10R0.73 CCCC(SCF)C(=O)OC 62a_200009843822_100015361967 [1,1,0,0,0,0|2,0,0]=4 1057 B10R0.73 CCCN(CCC)C(=O)CC 11a_100000210455_100000210414 [1,1,0,0,0,0|2,0,0]=4 1058 B10R0.73 CCCN(CCC)C(=O)CC 1626a_100000210455_100000210414 [1,1,0,0,0,0|2,0,0]=4 1059 B10R0.73 CCCN(CCC)C(=O)CC 240690a_100000210455_100000210414 [1,1,0,0,0,0|2,0,0]=4 1060 B10R0.73 CCCN(CCC)C(=O)CC 527a_100000210455_100000210414 [1,1,0,0,0,0|2,0,0]=4 1061 B10R0.73 CCCN(CCC)C(=O)CO 240690a_100000210455_100000210174 [1,1,0,0,0,0|1,0,0]=3 1062 B10R0.73 CCCN(CCC)C(=O)CO 527a_100000210455_100000210174 [1,1,0,0,0,0|1,0,0]=3 1063 B10R0.73 CCCN(CCC)C(=O)NC 2708a_100102657272_100000210455 [1,1,0,0,0,0|2,0,0]=4 1064 B10R0.73 CCCN(CCC)C(=O)NC 273464a_100102657272_100000210455 [1,1,0,0,0,0|2,0,0]=4 1065 B10R0.73 CCCN(CCO)C(=O)CC 240690a_100000211420_100000210414 [1,1,0,0,0,0|2,0,0]=4 1066 B10R0.73 CCCN(CCO)C(=O)CO 240690a_100000211420_100000210174 [1,1,0,0,0,0|1,0,0]=3 1067 B10R0.73 CCCN(CCO)C(=O)NC 2708a_100102657272_100000211420 [1,1,0,0,0,0|2,0,0]=4 1068 B10R0.73 CCCN(CCO)C(=O)NC 273464a_100102657272_100000211420 [1,1,0,0,0,0|2,0,0]=4 1069 B10R0.73 CCOC(COC)C(=O)OC 34a_100121572206_100000717350 [1,1,0,0,0,0|2,0,0]=4 1070 B10R0.73 CCSC(COC)C(=O)OC 62a_100000210202_100000717350 [1,1,0,0,0,0|2,0,0]=4 1071 B10R0.73 CCSC(COC)C(=O)OC 62a_100000717350_100000210202 [1,1,0,0,0,0|2,0,0]=4 1072 B10R0.73 O=C(CO)N(CCO)CCO 240690a_100000210587_100000210174 [1,1,0,0,0,0|2,0,0]=4 1073 B10R0.16 C=CC(CCCC)OCCC 34a_200011215037_100000210303 [1,1,0,0,0,0|2,0,0]=4 1074 B10R0.16 C=CC(CCCC)OCCC 7a_200011215037_100000210303 [1,1,0,0,0,0|2,0,0]=4 1075 B10R0.16 C=CC(CCCC)OCCO 34a_200011215037_100000211926 [1,1,0,0,0,0|2,0,0]=4 1076 B10R0.16 C=CC(CCCC)OCCO 7a_200011215037_100000211926 [1,1,0,0,0,0|2,0,0]=4 1077 B10R0.16 CCCC[C@@H](CO)NCCC 2230a_100011934283_100000210303 [1,1,0,0,0,0|1,0,1]=4 1078 B10R0.16 CCCC[C@@H](CO)NCCC 34a_100011934283_100000210303 [1,1,0,0,0,0|1,0,1]=4 1079 B10R0.16 CCCC[C@@H](CO)NCCO 2230a_100011934283_100000211926 [1,1,0,0,0,0|1,0,1]=4 1080 B10R0.16 CCCC[C@@H](CO)NCCO 34a_100011934283_100000211926 [1,1,0,0,0,0|1,0,1]=4 1081 B10R0.16 CSCC[C@@H](CO)NCCO 2230a_100011827619_100000211926 [1,1,0,0,0,0|1,0,1]=4 1082 B10R0.24 C#CC(CCC)OCCCO 34a_200011217317_100000230001 [1,1,0,0,0,0|1,0,1]=4 1083 B10R0.24 C#CC(CCC)OCCCO 7a_200011217317_100011215043 [1,1,0,0,0,0|1,0,1]=4 1084 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [1,1,0,0,0,0|2,0,0]=4 1085 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [1,1,0,0,0,0|2,0,0]=4 1086 B10R0.24 C=CC(CCC)OCCCF 34a_100011216692_100011934791 [1,1,0,0,0,0|2,0,0]=4 1087 B10R0.24 C=CC(CCC)OCCCF 7a_100011216692_100011934791 [1,1,0,0,0,0|2,0,0]=4 1088 B10R0.24 C=CC(CCC)OCCCO 34a_100011216692_100000230001 [1,1,0,0,0,0|1,0,0]=3 1089 B10R0.24 C=CC(CCC)OCCCO 7a_100011216692_100011215043 [1,1,0,0,0,0|1,0,0]=3 1090 B10R0.24 C=CC(CCC)OCCOC 34a_100011216692_100011201679 [1,1,0,0,0,0|2,0,0]=4 1091 B10R0.24 C=CC(CCC)OCCOC 7a_100011216692_100000233755 [1,1,0,0,0,0|2,0,0]=4 1092 B10R0.24 CCCC(C#N)OCCCO 34a_100000686963_100000230001 [1,1,0,0,0,0|1,0,1]=4 1093 B10R0.24 CCCC(C#N)OCCCO 7a_100000686963_100011215043 [1,1,0,0,0,0|1,0,1]=4 1094 B10R0.24 CCCC(CC)NCCCO 2230a_100000747048_100000230001 [1,1,0,0,0,0|1,0,1]=4 1095 B10R0.24 CCCC(CC)NCCCO 270004a_100000182051_100000687865 [1,1,0,0,0,0|1,0,1]=4 1096 B10R0.24 CCCC(CC)OCCCO 34a_100000687864_100000230001 [1,1,0,0,0,0|1,0,1]=4 1097 B10R0.24 CCCC(CC)OCCCO 7a_100000687864_100011215043 [1,1,0,0,0,0|1,0,1]=4 1098 B10R0.24 CCCC(CC)SCCCO 62a_100011215043_100011219200 [1,1,0,0,0,0|1,0,1]=4 1099 B10R0.24 CCCC(CC)SCCCO 62a_100011219200_100011215043 [1,1,0,0,0,0|1,0,1]=4 1100 B10R0.24 CCCCN[C@H](CO)CCC 2230a_100000732646_100000210211 [1,1,0,0,0,0|1,0,1]=4 1101 B10R0.24 CCCCN[C@H](CO)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|1,0,1]=4 1102 B10R0.24 CCC[C@@H](CO)NCCCF 2230a_100000732646_100011934791 [1,1,0,0,0,0|1,0,1]=4 1103 B10R0.24 CCC[C@@H](CO)NCCCF 34a_100000732646_100011934791 [1,1,0,0,0,0|1,0,1]=4 1104 B10R0.24 CCC[C@@H](CO)NCCCO 2230a_100000732646_100000230001 [1,1,0,0,0,0|0,0,1]=3 1105 B10R0.24 CCC[C@@H](CO)NCCCO 34a_100000732646_100000230001 [1,1,0,0,0,0|0,0,1]=3 1106 B10R0.24 CCC[C@@H](CO)NCCOC 2230a_100000732646_100011201679 [1,1,0,0,0,0|1,0,1]=4 1107 B10R0.24 CCC[C@@H](CO)NCCOC 34a_100000732646_100011201679 [1,1,0,0,0,0|1,0,1]=4 1108 B10R0.24 COCC(CO)NCCCO 2230a_100000724102_100000230001 [1,1,0,0,0,0|1,0,1]=4 1109 B10R0.24 COCC(CO)NCCCO 34a_100000724102_100000230001 [1,1,0,0,0,0|1,0,1]=4 1110 B10R0.27 C=CC(CCC)OCC(C)O 34a_100011216692_100011218427 [1,1,0,0,0,0|2,0,0]=4 1111 B10R0.27 C=CC(CCC)OCC(C)O 7a_100011216692_100011218427 [1,1,0,0,0,0|2,0,0]=4 1112 B10R0.27 C=CC(CCC)OC[C@@H](C)O 34a_100011216692_100009817552 [1,1,0,0,0,0|2,0,0]=4 1113 B10R0.27 C=CC(CCC)OC[C@@H](C)O 7a_100011216692_100009817552 [1,1,0,0,0,0|2,0,0]=4 1114 B10R0.27 CCC[C@@H](CO)NCC(C)O 2230a_100000732646_100011218427 [1,1,0,0,0,0|1,0,1]=4 1115 B10R0.27 CCC[C@@H](CO)NCC(C)O 34a_100000732646_100011218427 [1,1,0,0,0,0|1,0,1]=4 1116 B10R0.27 CCC[C@@H](CO)NC[C@@H](C)O 2230a_100000732646_100009817552 [1,1,0,0,0,0|1,0,1]=4 1117 B10R0.27 CCC[C@@H](CO)NC[C@@H](C)O 34a_100000732646_100009817552 [1,1,0,0,0,0|1,0,1]=4 1118 B10R0.29 C=CC(CCC)OC(C)CO 34a_100011216692_100012180447 [1,1,0,0,0,0|2,0,0]=4 1119 B10R0.29 C=CC(CCC)OC(C)CO 7a_100011216692_100012180447 [1,1,0,0,0,0|2,0,0]=4 1120 B10R0.29 CCC[C@@H](CO)NC(C)CO 2230a_100000732646_100012180447 [1,1,0,0,0,0|1,0,1]=4 1121 B10R0.29 CCC[C@@H](CO)NC(C)CO 34a_100000732646_100012180447 [1,1,0,0,0,0|1,0,1]=4 1122 B10R0.87 C=CC(CC(C)C)OCCO 34a_100012186643_100000211926 [1,1,0,0,0,0|2,0,0]=4 1123 B10R0.87 C=CC(CC(C)C)OCCO 7a_100012186643_100000211926 [1,1,0,0,0,0|2,0,0]=4 1124 B10R0.87 CC(C)C[C@@H](CO)NCCO 2230a_100011830311_100000211926 [1,1,0,0,0,0|1,0,1]=4 1125 B10R0.87 CC(C)C[C@@H](CO)NCCO 34a_100011830311_100000211926 [1,1,0,0,0,0|1,0,1]=4 1126 B10R0.90 C/C=C/C(CCC)OCCO 34a_200016264281_100000211926 [1,1,0,0,0,0|2,0,0]=4 1127 B10R0.90 C/C=C/C(CCC)OCCO 7a_200016264281_100000211926 [1,1,0,0,0,0|2,0,0]=4 1128 B10R0.90 C=CCC(CCC)OCCO 34a_100011215139_100000211926 [1,1,0,0,0,0|2,0,0]=4 1129 B10R0.90 C=CCC(CCC)OCCO 7a_100011215139_100000211926 [1,1,0,0,0,0|2,0,0]=4 1130 B10R0.90 CCCCN(CC=O)CCC 2230a_200000207744_200015260668 [1,1,0,0,0,0|2,0,0]=4 1131 B10R0.90 CCCCN(CC=O)CCC 269982a_200000207744_200015260668 [1,1,0,0,0,0|2,0,0]=4 1132 B10R0.90 CCCN(CCO)CCCO 2230a_100000211420_100000230001 [1,1,0,0,0,0|1,0,1]=4 1133 B10R0.90 CCCN(CCO)CCCO 2230a_200000212863_100000210303 [1,1,0,0,0,0|1,0,1]=4 1134 B10R0.90 CCCN(CCO)CCCO 269982a_100000211420_100011215043 [1,1,0,0,0,0|1,0,1]=4 1135 B10R0.90 CCCN(CCO)CCCO 269982a_200000212863_100000210303 [1,1,0,0,0,0|1,0,1]=4 1136 B10R0.90 CCC[C@@H](CCO)NCCO 2230a_100015193777_100000211926 [1,1,0,0,0,0|1,0,1]=4 1137 B10R0.90 CCC[C@@H](CCO)NCCO 34a_100015193777_100000211926 [1,1,0,0,0,0|1,0,1]=4 1138 B10R0.90 O=CCN(CCO)CCCO 2230a_200000212863_200015260668 [1,1,0,0,0,0|2,0,0]=4 1139 B10R0.90 O=CCN(CCO)CCCO 269982a_200000212863_200015260668 [1,1,0,0,0,0|2,0,0]=4 1140 B12R0.10 CCCC(CC(=O)OC)OCCF 7a_100000065524_100011217306 [0,1,0,0,0,1|2,0,0]=4 1141 B12R0.10 CCCC(CC(=O)OC)OCCO 7a_100000065524_100000211926 [0,1,0,0,0,1|1,0,0]=3 1142 B12R0.10 CCCCN(CCC)CC(=O)OC 2230a_200000207744_100000747449 [0,1,0,0,0,1|2,0,0]=4 1143 B12R0.10 CCCCN(CCC)CC(=O)OC 269982a_200000207744_100000747449 [0,1,0,0,0,1|2,0,0]=4 1144 B12R0.10 CCCOC(CCC)CC(=O)OC 7a_100000065524_100000210303 [0,1,0,0,0,1|2,0,0]=4 1145 B12R0.10 COC(=O)CN(CCO)CCCO 2230a_200000212863_100000747449 [0,1,0,0,0,1|2,0,0]=4 1146 B12R0.10 COC(=O)CN(CCO)CCCO 269982a_200000212863_100000747449 [0,1,0,0,0,1|2,0,0]=4 1147 B12R0.13 CC(C(=O)O)N(CCO)CCCO 269956a_100011300695_100011215043 [0,1,0,0,0,1|2,0,0]=4 1148 B12R0.13 CCC[C@@H](NCCO)C(O)C(=O)N 2230a_200132311066_100000211926 [0,1,0,0,0,1|2,0,0]=4 1149 B12R0.52 CC(O)CCN(CCO)CC(=O)O 269956a_100000747938_100012276601 [0,1,0,0,0,1|2,0,0]=4 1150 B12R0.243 CCCCC(CCCC)NC(=O)C 11a_200011995792_100015343762 [0,1,0,0,0,1|2,0,0]=4 1151 B12R0.243 CCCCC(CCCC)NC(=O)C 1626a_200011995792_100015343762 [0,1,0,0,0,1|2,0,0]=4 1152 B12R0.243 CCCCC(CCCC)NC(=O)C 240690a_200011995792_100015343762 [0,1,0,0,0,1|2,0,0]=4 1153 B12R0.243 CCCCC(CCCC)NC(=O)C 527a_200011995792_100103153847 [0,1,0,0,0,1|2,0,0]=4 1154 B12R0.243 N#CCCN(CCCO)CC(=O)O 269956a_100011218032_100011215043 [0,1,0,0,0,1|1,0,1]=4 1155 B12R0.243 NC(=O)CN(CCCO)CCCO 2230a_100000212923_100000747473 [0,1,0,0,0,1|2,0,0]=4 1156 B12R0.243 NC(=O)CN(CCCO)CCCO 269982a_100000212923_100000187820 [0,1,0,0,0,1|2,0,0]=4 1157 B12R0.243 NC(=O)CN(CCCO)CCCO 34a_100000212923_100000187820 [0,1,0,0,0,1|2,0,0]=4 1158 B12R0.243 O=C([O-])CN(CCCO)CCCO 269982a_100000212923_100020667443 [0,1,0,0,0,1|1,0,1]=4 1159 B12R0.243 O=C([O-])CN(CCCO)CCCO 34a_100000212923_100020667443 [0,1,0,0,0,1|1,0,1]=4 1160 B12R0.247 CCCN[C@H](CC(=O)O)[C@@H](C)CC 269956a_100020625877_100000210207 [0,1,0,0,0,1|2,0,0]=4 1161 B12R0.247 CC[C@H](C)[C@@H](CC(=O)O)NCCF 269956a_100020625877_100011217306 [0,1,0,0,0,1|2,0,0]=4 1162 B12R0.247 CC[C@H](C)[C@@H](CC(=O)O)NCCO 269956a_100020625877_100000211926 [0,1,0,0,0,1|1,0,0]=3 1163 B12R0.256 COCCCN(CCO)CC(=O)O 269956a_100000747938_100000740836 [0,1,0,0,0,1|2,0,0]=4 1164 B12R0.256 O=C(O)CN(CCO)CCCCO 269956a_100000747938_100000210776 [0,1,0,0,0,1|2,0,0]=4 1165 B12R0.284 CC(CCO)N(CCO)CC(=O)O 269956a_100000747938_100009893172 [0,1,0,0,0,1|2,0,0]=4 1166 B12R0.284 CCC[C@H](NC(=O)C)C(=O)CCO 1458a_100011995990_100000211926 [0,1,0,0,0,1|1,0,1]=4 1167 B12R0.399 CCCN(CC(=O)N)CC(O)CO 2230a_200000156893_100000747473 [0,1,0,0,0,1|2,0,0]=4 1168 B12R0.399 CCCN(CC(=O)N)CC(O)CO 269982a_200000156893_100000187820 [0,1,0,0,0,1|2,0,0]=4 1169 B12R0.399 CCCN(CC(=O)[O-])CC(O)CO 269982a_200000156893_100020667443 [0,1,0,0,0,1|1,0,1]=4 1170 B12R0.399 C[C@@H](CO)CN(CCO)CC(=O)O 269956a_100000747938_100000059175 [0,1,0,0,0,1|2,0,0]=4 1171 B12R0.399 O=C(O)CN(CCO)CC(O)CO 269956a_100000747938_100011219619 [0,1,0,0,0,1|2,0,0]=4 1172 B12R0.399 O=C(O)CN(CCO)C[C@@H](O)CO 269956a_100000747938_100009815848 [0,1,0,0,0,1|2,0,0]=4 1173 B12R0.55 CC(=CCC(NCCO)C(=O)O)C 269956a_100102631519_100000211926 [0,2,0,0,0,0|1,0,1]=4 1174 B12R0.55 CCCCC(NCC(C)C)C(=O)N 2230a_100000210953_100000748834 [0,2,0,0,0,0|2,0,0]=4 1175 B12R0.55 CCCCC(NCC(C)C)C(=O)N 34a_100000210953_100000748834 [0,2,0,0,0,0|2,0,0]=4 1176 B12R0.55 CCCCC(NCC(C)O)C(=O)N 2230a_100000210904_100000748834 [0,2,0,0,0,0|2,0,0]=4 1177 B12R0.55 CCCCC(NCC(C)O)C(=O)N 34a_100000210904_100000748834 [0,2,0,0,0,0|2,0,0]=4 1178 B12R0.55 CCCCC(OCC(C)Br)C(=O)N 34a_100012180447_100000748834 [0,2,0,0,0,0|2,0,0]=4 1179 B12R0.55 CCCCC(OCC(C)C)C(=O)N 34a_100000210257_100000748834 [0,2,0,0,0,0|2,0,0]=4 1180 B12R0.55 CCCCC(OCC(C)F)C(=O)N 34a_100015925927_100000748834 [0,2,0,0,0,0|2,0,0]=4 1181 B12R0.55 CCCCC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000748834 [0,2,0,0,0,0|2,0,0]=4 1182 B12R0.55 CCCCC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000748834 [0,2,0,0,0,0|2,0,0]=4 1183 B12R0.55 CCCCC(SCC(C)C)C(=O)N 62a_100000210624_100000748834 [0,2,0,0,0,0|2,0,0]=4 1184 B12R0.55 CCCCC(SCC(C)C)C(=O)N 62a_100000748834_100000210760 [0,2,0,0,0,0|2,0,0]=4 1185 B12R0.55 CCCCC(SCC(C)O)C(=O)N 62a_100000748834_100011218427 [0,2,0,0,0,0|2,0,0]=4 1186 B12R0.55 CCCCC(SCC(C)O)C(=O)N 62a_100011218427_100000748834 [0,2,0,0,0,0|2,0,0]=4 1187 B12R0.55 CCCCC(SC[C@@H](C)O)C(=O)N 62a_100000748834_100009817552 [0,2,0,0,0,0|2,0,0]=4 1188 B12R0.55 CCCCC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000748834 [0,2,0,0,0,0|2,0,0]=4 1189 B12R0.55 CCCC[C@H](NCC(C)C)C(=O)N 2230a_100000124899_100000210760 [0,2,0,0,0,0|2,0,0]=4 1190 B12R0.55 CCCC[C@H](NCC(C)C)C(=O)N 34a_100000124899_100000210624 [0,2,0,0,0,0|2,0,0]=4 1191 B12R0.55 CCCC[C@H](NCC(C)O)C(=O)N 2230a_100000124899_100011218427 [0,2,0,0,0,0|2,0,0]=4 1192 B12R0.55 CCCC[C@H](NCC(C)O)C(=O)N 34a_100000124899_100011218427 [0,2,0,0,0,0|2,0,0]=4 1193 B12R0.55 CCCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000124899_100009817552 [0,2,0,0,0,0|2,0,0]=4 1194 B12R0.55 CCCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000124899_100009817552 [0,2,0,0,0,0|2,0,0]=4 1195 B12R0.55 CCCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210207 [0,2,0,0,0,0|2,0,0]=4 1196 B12R0.55 CCCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210207 [0,2,0,0,0,0|1,0,1]=4 1197 B12R0.55 CS(=O)CC[C@H](NCCF)C(=O)O 269956a_100015235763_100011217306 [0,2,0,0,0,0|2,0,0]=4 1198 B12R0.55 CS(=O)CC[C@H](NCCO)C(=O)O 269956a_100015235763_100000211926 [0,2,0,0,0,0|1,0,0]=3 1199 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)O 269956a_100000743919_100000210760 [0,2,0,0,0,0|2,0,0]=4 1200 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)N 2230a_100000119342_100011218427 [0,2,0,0,0,0|2,0,0]=4 1201 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)N 34a_100000119342_100011218427 [0,2,0,0,0,0|2,0,0]=4 1202 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)O 269956a_100000743919_100011218427 [0,2,0,0,0,0|1,0,0]=3 1203 B12R0.55 CSCC[C@H](NCC(F)F)C(=O)O 269956a_100000743919_100011934356 [0,2,0,0,0,0|2,0,0]=4 1204 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000119342_100009817552 [0,2,0,0,0,0|2,0,0]=4 1205 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000119342_100009817552 [0,2,0,0,0,0|2,0,0]=4 1206 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743919_100009817552 [0,2,0,0,0,0|1,0,0]=3 1207 B12R0.55 C[S+](C)CCC(NCCF)C(=O)O 269956a_100000210779_100011217306 [0,2,0,0,0,0|2,0,0]=4 1208 B12R0.55 C[S+](C)CCC(NCCO)C(=O)O 269956a_100000210779_100000211926 [0,2,0,0,0,0|1,0,0]=3 1209 B12R0.55 C[Se]CC[C@H](NCC(C)C)C(=O)O 269956a_100020619752_100000210760 [0,2,0,0,0,0|2,0,0]=4 1210 B12R0.55 C[Se]CC[C@H](NCC(C)O)C(=O)O 269956a_100020619752_100011218427 [0,2,0,0,0,0|1,0,0]=3 1211 B12R0.55 C[Se]CC[C@H](NCC(F)F)C(=O)O 269956a_100020619752_100011934356 [0,2,0,0,0,0|2,0,0]=4 1212 B12R0.55 C[Se]CC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100020619752_100009817552 [0,2,0,0,0,0|1,0,0]=3 1213 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000758301 [0,2,0,0,0,0|2,0,0]=4 1214 B12R0.129 CCC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000758301 [0,2,0,0,0,0|2,0,0]=4 1215 B12R0.129 CCCCC(NC(C)CC)C(=O)N 2230a_100000209981_100000748834 [0,2,0,0,0,0|2,0,0]=4 1216 B12R0.129 CCCCC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000748834 [0,2,0,0,0,0|2,0,0]=4 1217 B12R0.129 CCCCC(OC(C)CC)C(=O)N 7a_100000210228_100000748834 [0,2,0,0,0,0|2,0,0]=4 1218 B12R0.129 CCCCC(SC(C)CC)C(=O)N 62a_100000748834_100000758301 [0,2,0,0,0,0|2,0,0]=4 1219 B12R0.129 CCCCC(SC(C)CC)C(=O)N 62a_100000758301_100000748834 [0,2,0,0,0,0|2,0,0]=4 1220 B12R0.129 CCCCC(SC(C)CO)C(=O)N 62a_100012180447_100000748834 [0,2,0,0,0,0|2,0,0]=4 1221 B12R0.129 CCCCC(S[C@H](C)CO)C(=O)N 62a_100000748834_100016084084 [0,2,0,0,0,0|2,0,0]=4 1222 B12R0.129 CCCCC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000748834 [0,2,0,0,0,0|2,0,0]=4 1223 B12R0.129 CCCC[C@H](NC(C)CC)C(=O)N 2230a_100000124899_100000758301 [0,2,0,0,0,0|2,0,0]=4 1224 B12R0.129 CCCC[C@H](NC(C)CC)C(=O)N 34a_100000124899_100011215416 [0,2,0,0,0,0|2,0,0]=4 1225 B12R0.129 CCCC[C@H](NC(C)CO)C(=O)N 2230a_100000124899_100012180447 [0,2,0,0,0,0|2,0,0]=4 1226 B12R0.129 CCCC[C@H](NC(C)CO)C(=O)N 34a_100000124899_100012180447 [0,2,0,0,0,0|2,0,0]=4 1227 B12R0.129 CSCC[C@H](NC(C)CO)C(=O)N 2230a_100000119342_100012180447 [0,2,0,0,0,0|2,0,0]=4 1228 B12R0.129 CSCC[C@H](NC(C)CO)C(=O)N 34a_100000119342_100012180447 [0,2,0,0,0,0|2,0,0]=4 1229 B12R0.129 CSCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000743919_100016084084 [0,2,0,0,0,0|1,0,0]=3 1230 B12R0.129 C[Se]CC[C@H](N[C@H](C)CO)C(=O)O 269956a_100020619752_100016084084 [0,2,0,0,0,0|1,0,0]=3 1231 B12R0.244 C#CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000688953 [0,2,0,0,0,0|1,0,1]=4 1232 B12R0.244 C#CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000688953 [0,2,0,0,0,0|1,0,1]=4 1233 B12R0.244 C=CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000754431 [0,2,0,0,0,0|1,0,1]=4 1234 B12R0.244 C=CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000754431 [0,2,0,0,0,0|1,0,1]=4 1235 B12R0.244 CCCCC(NCCCF)C(=O)N 2230a_100015189416_100000748834 [0,2,0,0,0,0|2,0,0]=4 1236 B12R0.244 CCCCC(NCCCF)C(=O)N 34a_100015189416_100000748834 [0,2,0,0,0,0|2,0,0]=4 1237 B12R0.244 CCCCC(NCCOC)C(=O)N 2230a_100000209980_100000748834 [0,2,0,0,0,0|2,0,0]=4 1238 B12R0.244 CCCCC(NCCSC)C(=O)N 2230a_100020590264_100000748834 [0,2,0,0,0,0|2,0,0]=4 1239 B12R0.244 CCCCC(OCCCBr)C(=O)N 34a_100011217188_100000748834 [0,2,0,0,0,0|2,0,0]=4 1240 B12R0.244 CCCCC(OCCCCl)C(=O)N 34a_100000230001_100000748834 [0,2,0,0,0,0|2,0,0]=4 1241 B12R0.244 CCCCC(OCCCF)C(=O)N 34a_100000759539_100000748834 [0,2,0,0,0,0|2,0,0]=4 1242 B12R0.244 CCCCC(OCCCN)C(=O)N 34a_100000182051_100000748834 [0,2,0,0,0,0|2,0,0]=4 1243 B12R0.244 CCCCC(OCCOC)C(=O)N 34a_100000210237_100000748834 [0,2,0,0,0,0|2,0,0]=4 1244 B12R0.244 CCCCC(OCCON)C(=O)N 34a_100000700252_100000748834 [0,2,0,0,0,0|2,0,0]=4 1245 B12R0.244 CCCCC(OCCSC)C(=O)N 34a_100000230434_100000748834 [0,2,0,0,0,0|2,0,0]=4 1246 B12R0.244 CCCCC(OCCSC)C(=O)N 7a_100000230434_100000748834 [0,2,0,0,0,0|2,0,0]=4 1247 B12R0.244 CCCCC(SCCCF)C(=O)N 62a_100000748834_100011934791 [0,2,0,0,0,0|2,0,0]=4 1248 B12R0.244 CCCCC(SCCCF)C(=O)N 62a_100011934791_100000748834 [0,2,0,0,0,0|2,0,0]=4 1249 B12R0.244 CCCCC(SCCCO)C(=O)N 62a_100000748834_100011215043 [0,2,0,0,0,0|1,0,0]=3 1250 B12R0.244 CCCCC(SCCCO)C(=O)N 62a_100011215043_100000748834 [0,2,0,0,0,0|1,0,0]=3 1251 B12R0.244 CCCCC(SCCOC)C(=O)N 62a_100000233755_100000748834 [0,2,0,0,0,0|2,0,0]=4 1252 B12R0.244 CCCCC(SCCOC)C(=O)N 62a_100000748834_100000233755 [0,2,0,0,0,0|2,0,0]=4 1253 B12R0.244 CCCCC(SCCSC)C(=O)N 62a_100000212216_100000748834 [0,2,0,0,0,0|2,0,0]=4 1254 B12R0.244 CCCCC(SCCSC)C(=O)N 62a_100000748834_100000751147 [0,2,0,0,0,0|2,0,0]=4 1255 B12R0.244 CCCCC(SCOCC)C(=O)N 62a_100000739092_100000748834 [0,2,0,0,0,0|2,0,0]=4 1256 B12R0.244 CCCCC(SCOCC)C(=O)N 62a_100000748834_100000739092 [0,2,0,0,0,0|2,0,0]=4 1257 B12R0.244 CCCCN(CCCCO)C(=O)C 240690a_200011216965_100015343762 [0,2,0,0,0,0|2,0,0]=4 1258 B12R0.244 CCCCNC(CCCC)C(=O)N 2230a_100000102301_100000748834 [0,2,0,0,0,0|2,0,0]=4 1259 B12R0.244 CCCCNC(CCCC)C(=O)N 7a_106832991798_100000748834 [0,2,0,0,0,0|2,0,0]=4 1260 B12R0.244 CCCCN[C@@H](CCCC)C(=O)N 2230a_100000124899_100000210211 [0,2,0,0,0,0|2,0,0]=4 1261 B12R0.244 CCCCN[C@@H](CCCC)C(=O)N 34a_100000124899_100000210210 [0,2,0,0,0,0|2,0,0]=4 1262 B12R0.244 CCCCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210211 [0,2,0,0,0,0|2,0,0]=4 1263 B12R0.244 CCCCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210210 [0,2,0,0,0,0|2,0,0]=4 1264 B12R0.244 CCCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210211 [0,2,0,0,0,0|1,0,0]=3 1265 B12R0.244 CCCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210211 [0,2,0,0,0,0|1,0,0]=3 1266 B12R0.244 CCCCOC(CCCC)C(=O)N 34a_100000210227_100000748834 [0,2,0,0,0,0|2,0,0]=4 1267 B12R0.244 CCCCOC(CCCC)C(=O)N 7a_100000210227_100000748834 [0,2,0,0,0,0|2,0,0]=4 1268 B12R0.244 CCCCSC(CCCC)C(=O)N 62a_100000210211_100000748834 [0,2,0,0,0,0|2,0,0]=4 1269 B12R0.244 CCCCSC(CCCC)C(=O)N 62a_100000748834_100000210210 [0,2,0,0,0,0|2,0,0]=4 1270 B12R0.244 CCCC[C@H](NCCCF)C(=O)N 2230a_100000124899_100011934791 [0,2,0,0,0,0|2,0,0]=4 1271 B12R0.244 CCCC[C@H](NCCCF)C(=O)N 34a_100000124899_100011934791 [0,2,0,0,0,0|2,0,0]=4 1272 B12R0.244 CCCC[C@H](NCCCO)C(=O)N 2230a_100000124899_100000230001 [0,2,0,0,0,0|1,0,0]=3 1273 B12R0.244 CCCC[C@H](NCCCO)C(=O)N 34a_100000124899_100000230001 [0,2,0,0,0,0|1,0,0]=3 1274 B12R0.244 CCCC[C@H](NCCOC)C(=O)N 2230a_100000124899_100011201679 [0,2,0,0,0,0|2,0,0]=4 1275 B12R0.244 CCCC[C@H](NCCOC)C(=O)N 34a_100000124899_100011201679 [0,2,0,0,0,0|2,0,0]=4 1276 B12R0.244 CCCC[C@H](NCCSC)C(=O)N 2230a_100000124899_100000751147 [0,2,0,0,0,0|2,0,0]=4 1277 B12R0.244 CCCC[C@H](NCCSC)C(=O)N 34a_100000124899_100000212216 [0,2,0,0,0,0|2,0,0]=4 1278 B12R0.244 CCOCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000739092 [0,2,0,0,0,0|2,0,0]=4 1279 B12R0.244 CCOCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000739092 [0,2,0,0,0,0|2,0,0]=4 1280 B12R0.244 COCCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100011201679 [0,2,0,0,0,0|2,0,0]=4 1281 B12R0.244 COCCN[C@@H](CCSC)C(=O)N 34a_100000119342_100011201679 [0,2,0,0,0,0|2,0,0]=4 1282 B12R0.244 COCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000233755 [0,2,0,0,0,0|1,0,0]=3 1283 B12R0.244 COCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000233755 [0,2,0,0,0,0|1,0,0]=3 1284 B12R0.244 CSCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000212216 [0,2,0,0,0,0|1,1,0]=4 1285 B12R0.244 CSCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000212216 [0,2,0,0,0,0|1,1,0]=4 1286 B12R0.244 CSCC[C@H](NCCC#N)C(=O)O 269956a_100000743919_100011215226 [0,2,0,0,0,0|1,0,1]=4 1287 B12R0.244 CSCC[C@H](NCCCF)C(=O)N 2230a_100000119342_100011934791 [0,2,0,0,0,0|2,0,0]=4 1288 B12R0.244 CSCC[C@H](NCCCF)C(=O)N 34a_100000119342_100011934791 [0,2,0,0,0,0|2,0,0]=4 1289 B12R0.244 CSCC[C@H](NCCCF)C(=O)O 269956a_100000743919_100011934791 [0,2,0,0,0,0|1,0,0]=3 1290 B12R0.244 CSCC[C@H](NCCCO)C(=O)N 2230a_100000119342_100000230001 [0,2,0,0,0,0|1,0,0]=3 1291 B12R0.244 CSCC[C@H](NCCCO)C(=O)N 34a_100000119342_100000230001 [0,2,0,0,0,0|1,0,0]=3 1292 B12R0.244 CSCC[C@H](NCCCO)C(=O)O 269956a_100000743919_100011215043 [0,2,0,0,0,0|0,0,0]=2 1293 B12R0.244 C[Se]CC[C@H](NCCC#N)C(=O)O 269956a_100020619752_100011215226 [0,2,0,0,0,0|1,0,1]=4 1294 B12R0.244 C[Se]CC[C@H](NCCCF)C(=O)O 269956a_100020619752_100011934791 [0,2,0,0,0,0|1,0,0]=3 1295 B12R0.244 C[Se]CC[C@H](NCCCO)C(=O)O 269956a_100020619752_100011215043 [0,2,0,0,0,0|0,0,0]=2 1296 B12R0.250 C=CC(=O)N(CCCO)CCCO 240690a_100000212923_200121576911 [0,2,0,0,0,0|2,0,0]=4 1297 B12R0.250 CCC(=O)N(CCCO)CCCO 240690a_100000212923_100000210414 [0,2,0,0,0,0|2,0,0]=4 1298 B12R0.250 CCC(=O)N(CCCO)CCCO 527a_100000212923_100000210414 [0,2,0,0,0,0|2,0,0]=4 1299 B12R0.250 CCCCC(CCCC)C(=O)CC 1458a_100000078208_100000210202 [0,2,0,0,0,0|2,0,0]=4 1300 B12R0.250 CCCCC(CCCC)C(=O)CF 1458a_100000078208_100015361967 [0,2,0,0,0,0|2,0,0]=4 1301 B12R0.250 CCCCC(CCCC)C(=O)NC 11a_106832991635_100000078208 [0,2,0,0,0,0|2,0,0]=4 1302 B12R0.250 CCCCC(CCCC)C(=O)NC 1626a_100102657272_100000078208 [0,2,0,0,0,0|2,0,0]=4 1303 B12R0.250 CCCCC(CCCC)C(=O)NC 240690a_100102657272_100000078208 [0,2,0,0,0,0|2,0,0]=4 1304 B12R0.250 CCCCC(CCCC)C(=O)NC 527a_100102657272_100000078208 [0,2,0,0,0,0|2,0,0]=4 1305 B12R0.250 CCCCC(NCCF)C(=O)OC 34a_100000724931_100000750740 [0,2,0,0,0,0|2,0,0]=4 1306 B12R0.250 CCCCC(NCCO)C(=O)OC 2230a_100016997473_100000750740 [0,2,0,0,0,0|1,0,0]=3 1307 B12R0.250 CCCCC(NCCO)C(=O)OC 34a_100016990907_100000750740 [0,2,0,0,0,0|1,0,0]=3 1308 B12R0.250 CCCCC(OCCBr)C(=O)OC 34a_100000211926_100000750740 [0,2,0,0,0,0|2,0,0]=4 1309 B12R0.250 CCCCC(OCCC)C(=O)OC 34a_100000210258_100000750740 [0,2,0,0,0,0|1,0,0]=3 1310 B12R0.250 CCCCC(OCCN)C(=O)OC 34a_100000210304_100000750740 [0,2,0,0,0,0|2,0,0]=4 1311 B12R0.250 CCCCC(SCCC)C(=O)OC 62a_100000210303_100000750740 [0,2,0,0,0,0|1,0,0]=3 1312 B12R0.250 CCCCC(SCCC)C(=O)OC 62a_100000750740_100000210303 [0,2,0,0,0,0|1,0,0]=3 1313 B12R0.250 CCCCC(SCCF)C(=O)OC 62a_100000750740_100011217306 [0,2,0,0,0,0|2,0,0]=4 1314 B12R0.250 CCCCC(SCCF)C(=O)OC 62a_100011217306_100000750740 [0,2,0,0,0,0|2,0,0]=4 1315 B12R0.250 CCCCC(SCCO)C(=O)OC 62a_100000211926_100000750740 [0,2,0,0,0,0|1,0,0]=3 1316 B12R0.250 CCCCC(SCCO)C(=O)OC 62a_100000750740_100000211926 [0,2,0,0,0,0|1,0,0]=3 1317 B12R0.250 CCCCC(SCOC)C(=O)OC 62a_100000750740_100000766300 [0,2,0,0,0,0|2,0,0]=4 1318 B12R0.250 CCCCC(SCOC)C(=O)OC 62a_100000766300_100000750740 [0,2,0,0,0,0|2,0,0]=4 1319 B12R0.250 CCCCC(SCSC)C(=O)OC 62a_100000750740_100011218213 [0,2,0,0,0,0|2,0,0]=4 1320 B12R0.250 CCCCC(SCSC)C(=O)OC 62a_100011218213_100000750740 [0,2,0,0,0,0|2,0,0]=4 1321 B12R0.250 CCCCN(CCCC)C(=O)CO 240690a_100000684618_100000210174 [0,2,0,0,0,0|2,0,0]=4 1322 B12R0.250 CCCCN(CCCC)C(=O)CO 527a_100000684618_100000210174 [0,2,0,0,0,0|2,0,0]=4 1323 B12R0.250 CCCCN(CCOC)C(=O)CO 240690a_100000207391_100000210174 [0,2,0,0,0,0|2,0,0]=4 1324 B12R0.250 CCCCN(CCOC)C(=O)CO 527a_100000207391_100000210174 [0,2,0,0,0,0|2,0,0]=4 1325 B12R0.250 CNC(=O)N(CCCO)CCCO 2708a_100102657272_100000212923 [0,2,0,0,0,0|2,0,0]=4 1326 B12R0.250 CNC(=O)N(CCCO)CCCO 273464a_100102657272_100000212923 [0,2,0,0,0,0|2,0,0]=4 1327 B12R0.250 O=C(CO)N(CCCO)CCCO 240690a_100000212923_100000210174 [0,2,0,0,0,0|1,0,0]=3 1328 B12R0.250 O=C(CO)N(CCCO)CCCO 527a_100000212923_100000210174 [0,2,0,0,0,0|1,0,0]=3 1329 B12R0.337 CCCCC(C(=O)N)C(=O)CCC 1458a_100000211992_100000748834 [0,2,0,0,0,0|2,0,0]=4 1330 B12R0.337 CCCCC(C(=O)N)C(=O)CCO 1458a_100011216618_100000748834 [0,2,0,0,0,0|1,0,1]=4 1331 B12R0.337 CCCCC(C(=O)N)N(C)CCC 2230a_100000747261_100000748834 [0,2,0,0,0,0|2,0,0]=4 1332 B12R0.337 CCCCC(C(=O)N)N(C)CCC 269982a_100000747261_100000748834 [0,2,0,0,0,0|2,0,0]=4 1333 B12R0.337 CCCCC(C(=O)N)N(C)CCO 2230a_100000210263_100000748834 [0,2,0,0,0,0|2,0,0]=4 1334 B12R0.337 CCCCC(C(=O)N)N(C)CCO 269982a_100000210263_100000748834 [0,2,0,0,0,0|2,0,0]=4 1335 B12R0.337 CCCOC(C(=O)N)[C@H](N)CCC 34a_200132311066_100000210303 [0,2,0,0,0,0|2,0,0]=4 1336 B12R0.337 CCC[C@@H](N)C(OCCO)C(=O)N 34a_200132311066_100000211926 [0,2,0,0,0,0|2,0,0]=4 1337 B12R0.11 C#CCC(=O)C(CCC)CCCC 1458a_100011220946_100000211913 [0,2,0,0,0,0|2,0,0]=4 1338 B12R0.11 C=CCC(=O)C(CCC)CCCC 1458a_100000210193_100000211913 [0,2,0,0,0,0|2,0,0]=4 1339 B12R0.11 CC#CC(=O)C(CCC)CCCC 1458a_100000763181_100000211913 [0,2,0,0,0,0|2,0,0]=4 1340 B12R0.11 CC=CC(=O)C(CCC)CCCC 1458a_100000210699_100000211913 [0,2,0,0,0,0|2,0,0]=4 1341 B12R0.11 CCCC(=O)C(CCC)OCCO 34a_200011216804_100000211926 [0,2,0,0,0,0|2,0,0]=4 1342 B12R0.11 CCCC(=O)C(CCC)OCCO 7a_200011216804_100000211926 [0,2,0,0,0,0|2,0,0]=4 1343 B12R0.11 CCCC(NCCF)C(=O)OCC 34a_100000724931_100000695697 [0,2,0,0,0,0|2,0,0]=4 1344 B12R0.11 CCCC(NCCO)C(=O)OCC 2230a_100016997473_100000695697 [0,2,0,0,0,0|1,0,0]=3 1345 B12R0.11 CCCC(NCCO)C(=O)OCC 34a_100016990907_100000695697 [0,2,0,0,0,0|1,0,0]=3 1346 B12R0.11 CCCC(OCCBr)C(=O)OCC 34a_100000211926_100000695697 [0,2,0,0,0,0|2,0,0]=4 1347 B12R0.11 CCCC(OCCF)C(=O)OCC 34a_200011218214_100011217306 [0,2,0,0,0,0|2,0,0]=4 1348 B12R0.11 CCCC(OCCF)C(=O)OCC 7a_200011218214_100011217306 [0,2,0,0,0,0|2,0,0]=4 1349 B12R0.11 CCCC(OCCN)C(=O)OCC 34a_100000210304_100000695697 [0,2,0,0,0,0|2,0,0]=4 1350 B12R0.11 CCCC(OCCO)C(=O)OCC 34a_200011218214_100000211926 [0,2,0,0,0,0|1,0,0]=3 1351 B12R0.11 CCCC(OCCO)C(=O)OCC 7a_200011218214_100000211926 [0,2,0,0,0,0|1,0,0]=3 1352 B12R0.11 CCCC(SCCF)C(=O)OCC 62a_100000695697_100011217306 [0,2,0,0,0,0|2,0,0]=4 1353 B12R0.11 CCCC(SCCF)C(=O)OCC 62a_100011217306_100000695697 [0,2,0,0,0,0|2,0,0]=4 1354 B12R0.11 CCCC(SCCO)C(=O)OCC 62a_100000211926_100000695697 [0,2,0,0,0,0|1,0,0]=3 1355 B12R0.11 CCCC(SCCO)C(=O)OCC 62a_100000695697_100000211926 [0,2,0,0,0,0|1,0,0]=3 1356 B12R0.11 CCCCC(CCC)C(=O)C=CBr 1458a_100016273825_100000211913 [0,2,0,0,0,0|2,0,0]=4 1357 B12R0.11 CCCCC(CCC)C(=O)C=CCl 1458a_200016279998_100000211913 [0,2,0,0,0,0|2,0,0]=4 1358 B12R0.11 CCCCC(CCC)C(=O)C=CI 1458a_100016256311_100000211913 [0,2,0,0,0,0|2,0,0]=4 1359 B12R0.11 CCCCC(CCC)C(=O)CC#N 1458a_100051588842_100000211913 [0,2,0,0,0,0|2,0,0]=4 1360 B12R0.11 CCCCC(CCC)C(=O)CCC 1458a_100000211992_100000211913 [0,2,0,0,0,0|2,0,0]=4 1361 B12R0.11 CCCCC(CCC)C(=O)CCO 1458a_100011216618_100000211913 [0,2,0,0,0,0|1,0,0]=3 1362 B12R0.11 CCCCC(CCC)C(=O)COC 1458a_100000210968_100000211913 [0,2,0,0,0,0|1,0,0]=3 1363 B12R0.11 CCCCC(CCC)C(=O)CSC 1458a_100000184570_100000211913 [0,2,0,0,0,0|1,1,0]=4 1364 B12R0.11 CCCCC(NCC)C(=O)OCC 2230a_100015525214_200009813700 [0,2,0,0,0,0|2,0,0]=4 1365 B12R0.11 CCCCC(OCC)C(=O)OCC 34a_100121572206_200009813700 [0,2,0,0,0,0|2,0,0]=4 1366 B12R0.11 CCCCC(OCC)C(=O)OCC 34a_200011215408_100000210202 [0,2,0,0,0,0|2,0,0]=4 1367 B12R0.11 CCCCC(OCC)C(=O)OCC 7a_200011215408_100000210202 [0,2,0,0,0,0|2,0,0]=4 1368 B12R0.11 CCCCC(SCC)C(=O)OCC 62a_100000210202_200009813700 [0,2,0,0,0,0|2,0,0]=4 1369 B12R0.11 CCCCC(SCC)C(=O)OCC 62a_200009813700_100000210202 [0,2,0,0,0,0|2,0,0]=4 1370 B12R0.11 CCCCN(CCC)C(=O)CCO 240690a_200000207744_100011216618 [0,2,0,0,0,0|2,0,0]=4 1371 B12R0.11 CCCCN(CCC)C(=O)COC 11a_200000207744_100000210968 [0,2,0,0,0,0|2,0,0]=4 1372 B12R0.11 CCCCN(CCC)C(=O)COC 1626a_200000207744_100000210968 [0,2,0,0,0,0|2,0,0]=4 1373 B12R0.11 CCCCN(CCC)C(=O)COC 240690a_200000207744_100000210968 [0,2,0,0,0,0|2,0,0]=4 1374 B12R0.11 CCCCN(CCC)C(=O)COC 527a_200000207744_100000210968 [0,2,0,0,0,0|2,0,0]=4 1375 B12R0.11 CCCOC(CCC)C(=O)OCC 34a_100000210258_100000695697 [0,2,0,0,0,0|2,0,0]=4 1376 B12R0.11 CCCOC(CCC)C(=O)OCC 34a_200011218214_100000210303 [0,2,0,0,0,0|2,0,0]=4 1377 B12R0.11 CCCOC(CCC)C(=O)OCC 7a_200011218214_100000210303 [0,2,0,0,0,0|2,0,0]=4 1378 B12R0.11 CCCSC(CCC)C(=O)OCC 62a_100000210303_100000695697 [0,2,0,0,0,0|2,0,0]=4 1379 B12R0.11 CCCSC(CCC)C(=O)OCC 62a_100000695697_100000210303 [0,2,0,0,0,0|2,0,0]=4 1380 B12R0.11 CCOC(=O)C(NCCO)OCC 34a_100016990907_100000033883 [0,2,0,0,0,0|2,0,0]=4 1381 B12R0.11 CCOC(=O)C(OCC)SCCO 62a_100000033883_100000211926 [0,2,0,0,0,0|2,0,0]=4 1382 B12R0.11 CCOC(=O)C(OCC)SCCO 62a_100000211926_100000033883 [0,2,0,0,0,0|2,0,0]=4 1383 B12R0.11 COCC(=O)N(CCO)CCCO 240690a_200000212863_100000210968 [0,2,0,0,0,0|2,0,0]=4 1384 B12R0.11 O=C(CCO)N(CCO)CCCO 240690a_200000212863_100011216618 [0,2,0,0,0,0|2,0,0]=4 1385 B12R0.51 CCCC(NCC(C)C)C(=O)OC 2230a_100000210953_200009843822 [0,2,0,0,0,0|2,0,0]=4 1386 B12R0.51 CCCC(NCC(C)C)C(=O)OC 34a_100000210953_200009843822 [0,2,0,0,0,0|2,0,0]=4 1387 B12R0.51 CCCC(NCC(C)O)C(=O)NC 2230a_106256046333_100011218427 [0,2,0,0,0,0|2,0,0]=4 1388 B12R0.51 CCCC(NCC(C)O)C(=O)NC 34a_106256046333_100011218427 [0,2,0,0,0,0|2,0,0]=4 1389 B12R0.51 CCCC(NCC(C)O)C(=O)OC 2230a_100000210904_200009843822 [0,2,0,0,0,0|1,0,0]=3 1390 B12R0.51 CCCC(NCC(C)O)C(=O)OC 34a_100000210904_200009843822 [0,2,0,0,0,0|1,0,0]=3 1391 B12R0.51 CCCC(NCC(F)F)C(=O)OC 34a_100000765723_200009843822 [0,2,0,0,0,0|2,0,0]=4 1392 B12R0.51 CCCC(NC[C@@H](C)O)C(=O)NC 2230a_106256046333_100009817552 [0,2,0,0,0,0|2,0,0]=4 1393 B12R0.51 CCCC(NC[C@@H](C)O)C(=O)NC 34a_106256046333_100009817552 [0,2,0,0,0,0|2,0,0]=4 1394 B12R0.51 CCCC(OCC(C)Br)C(=O)OC 34a_100012180447_200009843822 [0,2,0,0,0,0|2,0,0]=4 1395 B12R0.51 CCCC(OCC(C)C)C(=O)OC 34a_100000210257_200009843822 [0,2,0,0,0,0|2,0,0]=4 1396 B12R0.51 CCCC(OCC(C)F)C(=O)OC 34a_100015925927_200009843822 [0,2,0,0,0,0|2,0,0]=4 1397 B12R0.51 CCCC(OCC(F)F)C(=O)OC 34a_100000743014_200009843822 [0,2,0,0,0,0|2,0,0]=4 1398 B12R0.51 CCCC(OC[C@@H](C)Cl)C(=O)OC 34a_100016084084_200009843822 [0,2,0,0,0,0|2,0,0]=4 1399 B12R0.51 CCCC(OC[C@@H](C)N)C(=O)OC 34a_100000737577_200009843822 [0,2,0,0,0,0|2,0,0]=4 1400 B12R0.51 CCCC(SCC(C)C)C(=O)OC 62a_100000210624_200009843822 [0,2,0,0,0,0|2,0,0]=4 1401 B12R0.51 CCCC(SCC(C)C)C(=O)OC 62a_200009843822_100000210760 [0,2,0,0,0,0|2,0,0]=4 1402 B12R0.51 CCCC(SCC(C)O)C(=O)OC 62a_100011218427_200009843822 [0,2,0,0,0,0|1,0,0]=3 1403 B12R0.51 CCCC(SCC(C)O)C(=O)OC 62a_200009843822_100011218427 [0,2,0,0,0,0|1,0,0]=3 1404 B12R0.51 CCCC(SCC(F)F)C(=O)OC 62a_100011934356_200009843822 [0,2,0,0,0,0|2,0,0]=4 1405 B12R0.51 CCCC(SCC(F)F)C(=O)OC 62a_200009843822_100011934356 [0,2,0,0,0,0|2,0,0]=4 1406 B12R0.51 CCCC(SC[C@@H](C)O)C(=O)OC 62a_100009817552_200009843822 [0,2,0,0,0,0|1,0,0]=3 1407 B12R0.51 CCCC(SC[C@@H](C)O)C(=O)OC 62a_200009843822_100009817552 [0,2,0,0,0,0|1,0,0]=3 1408 B12R0.51 COCC(NCC(C)O)C(=O)OC 34a_100000210904_100000717350 [0,2,0,0,0,0|2,0,0]=4 1409 B12R0.51 COCC(SCC(C)O)C(=O)OC 62a_100000717350_100011218427 [0,2,0,0,0,0|2,0,0]=4 1410 B12R0.51 COCC(SCC(C)O)C(=O)OC 62a_100011218427_100000717350 [0,2,0,0,0,0|2,0,0]=4 1411 B12R0.51 COCC(SC[C@@H](C)O)C(=O)OC 62a_100000717350_100009817552 [0,2,0,0,0,0|2,0,0]=4 1412 B12R0.51 COCC(SC[C@@H](C)O)C(=O)OC 62a_100009817552_100000717350 [0,2,0,0,0,0|2,0,0]=4 1413 B12R0.246 C#CCCNC(CCC)C(=O)OC 34a_100000755551_200009843822 [0,2,0,0,0,0|1,0,1]=4 1414 B12R0.246 C#CCCOC(CCC)C(=O)OC 34a_100011215631_200009843822 [0,2,0,0,0,0|1,0,1]=4 1415 B12R0.246 C#CCCSC(CCC)C(=O)OC 62a_100000688953_200009843822 [0,2,0,0,0,0|1,0,1]=4 1416 B12R0.246 C#CCCSC(CCC)C(=O)OC 62a_200009843822_100000688953 [0,2,0,0,0,0|1,0,1]=4 1417 B12R0.246 C=CCCNC(CCC)C(=O)OC 2230a_100015191253_200009843822 [0,2,0,0,0,0|1,0,1]=4 1418 B12R0.246 C=CCCOC(CCC)C(=O)OC 34a_100011205117_200009843822 [0,2,0,0,0,0|1,0,1]=4 1419 B12R0.246 C=CCCSC(CCC)C(=O)OC 62a_100000754431_200009843822 [0,2,0,0,0,0|1,0,1]=4 1420 B12R0.246 C=CCCSC(CCC)C(=O)OC 62a_200009843822_100000754431 [0,2,0,0,0,0|1,0,1]=4 1421 B12R0.246 CCCC(=NNCCO)C(=O)OC 4a_100000210001_200000070466 [0,2,0,0,0,0|1,0,1]=4 1422 B12R0.246 CCCC(NCCCF)C(=O)NC 2230a_106256046333_100011934791 [0,2,0,0,0,0|2,0,0]=4 1423 B12R0.246 CCCC(NCCCF)C(=O)NC 34a_106256046333_100011934791 [0,2,0,0,0,0|2,0,0]=4 1424 B12R0.246 CCCC(NCCCF)C(=O)OC 2230a_100015189416_200009843822 [0,2,0,0,0,0|1,0,0]=3 1425 B12R0.246 CCCC(NCCCF)C(=O)OC 34a_100015189416_200009843822 [0,2,0,0,0,0|1,0,0]=3 1426 B12R0.246 CCCC(NCCCO)C(=O)NC 2230a_106256046333_100000230001 [0,2,0,0,0,0|1,0,0]=3 1427 B12R0.246 CCCC(NCCCO)C(=O)NC 34a_106256046333_100000230001 [0,2,0,0,0,0|1,0,0]=3 1428 B12R0.246 CCCC(NCCOC)C(=O)NC 2230a_106256046333_100011201679 [0,2,0,0,0,0|2,0,0]=4 1429 B12R0.246 CCCC(NCCOC)C(=O)NC 34a_106256046333_100011201679 [0,2,0,0,0,0|2,0,0]=4 1430 B12R0.246 CCCC(NCCOC)C(=O)OC 2230a_100000209980_200009843822 [0,2,0,0,0,0|1,0,0]=3 1431 B12R0.246 CCCC(NCCSC)C(=O)OC 2230a_100020590264_200009843822 [0,2,0,0,0,0|1,1,0]=4 1432 B12R0.246 CCCC(OCCCBr)C(=O)OC 34a_100011217188_200009843822 [0,2,0,0,0,0|1,0,0]=3 1433 B12R0.246 CCCC(OCCCCl)C(=O)OC 34a_100000230001_200009843822 [0,2,0,0,0,0|1,0,0]=3 1434 B12R0.246 CCCC(OCCCF)C(=O)OC 34a_100000759539_200009843822 [0,2,0,0,0,0|1,0,0]=3 1435 B12R0.246 CCCC(OCCCN)C(=O)OC 34a_100000182051_200009843822 [0,2,0,0,0,0|1,0,0]=3 1436 B12R0.246 CCCC(OCCOC)C(=O)OC 34a_100000210237_200009843822 [0,2,0,0,0,0|1,0,0]=3 1437 B12R0.246 CCCC(OCCON)C(=O)OC 34a_100000700252_200009843822 [0,2,0,0,0,0|1,0,0]=3 1438 B12R0.246 CCCC(OCCSC)C(=O)OC 34a_100000230434_200009843822 [0,2,0,0,0,0|1,1,0]=4 1439 B12R0.246 CCCC(OCCSC)C(=O)OC 7a_100000230434_200009843822 [0,2,0,0,0,0|1,1,0]=4 1440 B12R0.246 CCCC(SCCC#N)C(=O)OC 62a_100011215226_200009843822 [0,2,0,0,0,0|1,0,1]=4 1441 B12R0.246 CCCC(SCCC#N)C(=O)OC 62a_200009843822_100011215226 [0,2,0,0,0,0|1,0,1]=4 1442 B12R0.246 CCCC(SCCCF)C(=O)OC 62a_100011934791_200009843822 [0,2,0,0,0,0|1,0,0]=3 1443 B12R0.246 CCCC(SCCCF)C(=O)OC 62a_200009843822_100011934791 [0,2,0,0,0,0|1,0,0]=3 1444 B12R0.246 CCCC(SCCCO)C(=O)OC 62a_100011215043_200009843822 [0,2,0,0,0,0|0,0,0]=2 1445 B12R0.246 CCCC(SCCCO)C(=O)OC 62a_200009843822_100011215043 [0,2,0,0,0,0|0,0,0]=2 1446 B12R0.246 CCCC(SCCOC)C(=O)OC 62a_100000233755_200009843822 [0,2,0,0,0,0|1,0,0]=3 1447 B12R0.246 CCCC(SCCOC)C(=O)OC 62a_200009843822_100000233755 [0,2,0,0,0,0|1,0,0]=3 1448 B12R0.246 CCCC(SCCSC)C(=O)OC 62a_100000212216_200009843822 [0,2,0,0,0,0|1,1,0]=4 1449 B12R0.246 CCCC(SCCSC)C(=O)OC 62a_200009843822_100000751147 [0,2,0,0,0,0|1,1,0]=4 1450 B12R0.246 CCCC(SCOCC)C(=O)OC 62a_100000739092_200009843822 [0,2,0,0,0,0|2,0,0]=4 1451 B12R0.246 CCCC(SCOCC)C(=O)OC 62a_200009843822_100000739092 [0,2,0,0,0,0|2,0,0]=4 1452 B12R0.246 CCCCCC(CCC)C(=O)CC 1458a_200011416452_100000210202 [0,2,0,0,0,0|2,0,0]=4 1453 B12R0.246 CCCCCC(CCC)C(=O)CF 1458a_200011416452_100015361967 [0,2,0,0,0,0|2,0,0]=4 1454 B12R0.246 CCCCCC(CCC)C(=O)NC 11a_106832991635_200011416452 [0,2,0,0,0,0|2,0,0]=4 1455 B12R0.246 CCCCCC(CCC)C(=O)NC 1626a_100102657272_200011416452 [0,2,0,0,0,0|2,0,0]=4 1456 B12R0.246 CCCCCC(CCC)C(=O)NC 240690a_100102657272_200011416452 [0,2,0,0,0,0|2,0,0]=4 1457 B12R0.246 CCCCCC(CCC)C(=O)NC 527a_100102657272_200011416452 [0,2,0,0,0,0|2,0,0]=4 1458 B12R0.246 CCCCCN(CCC)C(=O)CO 240690a_200000226819_100000210174 [0,2,0,0,0,0|2,0,0]=4 1459 B12R0.246 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[0,2,0,0,0,0|2,0,0]=4 1471 B12R0.246 COCC(NCCCF)C(=O)OC 34a_100015189416_100000717350 [0,2,0,0,0,0|2,0,0]=4 1472 B12R0.246 COCC(OCCCBr)C(=O)OC 34a_100011217188_100000717350 [0,2,0,0,0,0|2,0,0]=4 1473 B12R0.246 COCC(OCCCCl)C(=O)OC 34a_100000230001_100000717350 [0,2,0,0,0,0|2,0,0]=4 1474 B12R0.246 COCC(OCCCF)C(=O)OC 34a_100000759539_100000717350 [0,2,0,0,0,0|2,0,0]=4 1475 B12R0.246 COCC(OCCCN)C(=O)OC 34a_100000182051_100000717350 [0,2,0,0,0,0|2,0,0]=4 1476 B12R0.246 COCC(OCCON)C(=O)OC 34a_100000700252_100000717350 [0,2,0,0,0,0|2,0,0]=4 1477 B12R0.246 COCC(SCCCF)C(=O)OC 62a_100000717350_100011934791 [0,2,0,0,0,0|2,0,0]=4 1478 B12R0.246 COCC(SCCCF)C(=O)OC 62a_100011934791_100000717350 [0,2,0,0,0,0|2,0,0]=4 1479 B12R0.246 COCC(SCCCO)C(=O)OC 62a_100000717350_100011215043 [0,2,0,0,0,0|1,0,0]=3 1480 B12R0.246 COCC(SCCCO)C(=O)OC 62a_100011215043_100000717350 [0,2,0,0,0,0|1,0,0]=3 1481 B12R0.246 COCCOC(COC)C(=O)OC 34a_100000210237_100000717350 [0,2,0,0,0,0|2,0,0]=4 1482 B12R0.246 COCCSC(COC)C(=O)OC 62a_100000233755_100000717350 [0,2,0,0,0,0|2,0,0]=4 1483 B12R0.246 COCCSC(COC)C(=O)OC 62a_100000717350_100000233755 [0,2,0,0,0,0|2,0,0]=4 1484 B12R0.249 CCC(=O)C(SCCO)C(=O)OC 62a_100000056495_100000211926 [0,2,0,0,0,0|1,0,1]=4 1485 B12R0.249 CCC(=O)C(SCCO)C(=O)OC 62a_100000211926_100000056495 [0,2,0,0,0,0|1,0,1]=4 1486 B12R0.249 CCCCC(C(=O)CC)C(=O)OC 1458a_100000210414_100000750740 [0,2,0,0,0,0|1,0,1]=4 1487 B12R0.249 CCCCC(C(=O)OC)N(C)CC 2230a_100000225621_100000750740 [0,2,0,0,0,0|2,0,0]=4 1488 B12R0.249 CCCCC(C(=O)OC)N(C)CC 269982a_100000225621_100000750740 [0,2,0,0,0,0|2,0,0]=4 1489 B12R0.249 CCCCN(C(=O)CO)C(C)CC 240690a_100000207357_100000210174 [0,2,0,0,0,0|2,0,0]=4 1490 B12R0.249 CCCCN(C(=O)CO)C(C)CC 527a_100000207357_100000210174 [0,2,0,0,0,0|2,0,0]=4 1491 B12R0.274 CCCC(=O)C(CCC)C(=O)OC 1458a_100000211992_200009843822 [0,2,0,0,0,0|1,0,1]=4 1492 B12R0.274 CCCC(C(=O)CCO)C(=O)OC 1458a_100011216618_200009843822 [0,2,0,0,0,0|0,0,1]=3 1493 B12R0.274 CCCC(C(=O)OC)N(C)CCC 2230a_100000747261_200009843822 [0,2,0,0,0,0|2,0,0]=4 1494 B12R0.274 CCCC(C(=O)OC)N(C)CCC 269982a_100000747261_200009843822 [0,2,0,0,0,0|2,0,0]=4 1495 B12R0.274 CCCC(C(=O)OC)N(C)CCO 2230a_100000210263_200009843822 [0,2,0,0,0,0|1,0,0]=3 1496 B12R0.274 CCCC(C(=O)OC)N(C)CCO 269982a_100000210263_200009843822 [0,2,0,0,0,0|1,0,0]=3 1497 B12R0.274 COCC(C(=O)CCO)C(=O)OC 1458a_100011216618_100000717350 [0,2,0,0,0,0|1,0,1]=4 1498 B12R0.407 C=CC(=O)N(CCC)CC(O)CO 240690a_200000156893_200121576911 [0,2,0,0,0,0|2,0,0]=4 1499 B12R0.407 CCCC(NC(=O)CO)C(=O)OC 188690a_100000696665_100000210174 [0,2,0,0,0,0|1,0,1]=4 1500 B12R0.407 CCCC(NC(C)CC)C(=O)OC 2230a_100000209981_200009843822 [0,2,0,0,0,0|2,0,0]=4 1501 B12R0.407 CCCC(NC(C)CO)C(=O)NC 2230a_106256046333_100012180447 [0,2,0,0,0,0|2,0,0]=4 1502 B12R0.407 CCCC(NC(C)CO)C(=O)NC 34a_106256046333_100012180447 [0,2,0,0,0,0|2,0,0]=4 1503 B12R0.407 CCCC(N[C@H](C)CO)C(=O)OC 2230a_100000737577_200009843822 [0,2,0,0,0,0|1,0,0]=3 1504 B12R0.407 CCCC(OC(C)CC)C(=O)OC 7a_100000210228_200009843822 [0,2,0,0,0,0|2,0,0]=4 1505 B12R0.407 CCCC(OC(C)CF)C(=O)OC 34a_100016041109_200009843822 [0,2,0,0,0,0|2,0,0]=4 1506 B12R0.407 CCCC(OC(C)CF)C(=O)OC 7a_100016041109_200009843822 [0,2,0,0,0,0|2,0,0]=4 1507 B12R0.407 CCCC(OC(C)CN)C(=O)OC 34a_100000210904_200009843822 [0,2,0,0,0,0|2,0,0]=4 1508 B12R0.407 CCCC(SC(C)CC)C(=O)OC 62a_100000758301_200009843822 [0,2,0,0,0,0|2,0,0]=4 1509 B12R0.407 CCCC(SC(C)CC)C(=O)OC 62a_200009843822_100000758301 [0,2,0,0,0,0|2,0,0]=4 1510 B12R0.407 CCCC(SC(C)CO)C(=O)OC 62a_100012180447_200009843822 [0,2,0,0,0,0|1,0,0]=3 1511 B12R0.407 CCCC(S[C@H](C)CO)C(=O)OC 62a_100016084084_200009843822 [0,2,0,0,0,0|1,0,0]=3 1512 B12R0.407 CCCC(S[C@H](C)CO)C(=O)OC 62a_200009843822_100016084084 [0,2,0,0,0,0|1,0,0]=3 1513 B12R0.407 CCCN(CC(O)CO)C(=O)CC 240690a_200000156893_100000210414 [0,2,0,0,0,0|2,0,0]=4 1514 B12R0.407 CCCN(CC(O)CO)C(=O)CC 527a_200000156893_100000210414 [0,2,0,0,0,0|2,0,0]=4 1515 B12R0.407 CCCN(CC(O)CO)C(=O)CO 240690a_200000156893_100000210174 [0,2,0,0,0,0|1,0,0]=3 1516 B12R0.407 CCCN(CC(O)CO)C(=O)CO 527a_200000156893_100000210174 [0,2,0,0,0,0|1,0,0]=3 1517 B12R0.407 CCCN(CC(O)CO)C(=O)NC 2708a_100102657272_200000156893 [0,2,0,0,0,0|2,0,0]=4 1518 B12R0.407 CCCN(CC(O)CO)C(=O)NC 273464a_100102657272_200000156893 [0,2,0,0,0,0|2,0,0]=4 1519 B12R0.407 COCC(SC(C)CO)C(=O)OC 62a_100012180447_100000717350 [0,2,0,0,0,0|2,0,0]=4 1520 B12R0.407 COCC(S[C@H](C)CO)C(=O)OC 62a_100000717350_100016084084 [0,2,0,0,0,0|2,0,0]=4 1521 B12R0.407 COCC(S[C@H](C)CO)C(=O)OC 62a_100016084084_100000717350 [0,2,0,0,0,0|2,0,0]=4 1522 B12R0.81 CCC(C)C(C(=O)O)N(C)CCF 269956a_100000694001_100011217306 [0,2,0,0,0,0|2,0,0]=4 1523 B12R0.81 CCC(C)C(C(=O)O)N(C)CCO 269956a_100000694001_100000211926 [0,2,0,0,0,0|1,0,0]=3 1524 B12R0.81 CCCN(C)C(C(=O)O)C(C)CC 269956a_100000694001_100000210207 [0,2,0,0,0,0|2,0,0]=4 1525 B12R0.19 CCCC(C)N[C@@H](CCC)C(=O)N 2230a_100000729256_100000766640 [0,2,0,0,0,0|2,0,0]=4 1526 B12R0.19 CCCC(C)N[C@@H](CCC)C(=O)N 34a_100000729256_100000766640 [0,2,0,0,0,0|2,0,0]=4 1527 B12R0.19 CCCC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100000766640 [0,2,0,0,0,0|1,0,0]=3 1528 B12R0.19 CCCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000766640 [0,2,0,0,0,0|2,0,0]=4 1529 B12R0.19 CCCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766640 [0,2,0,0,0,0|2,0,0]=4 1530 B12R0.19 CCCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000766640 [0,2,0,0,0,0|2,0,0]=4 1531 B12R0.19 CCCC(C)OC(CCC)C(=O)N 34a_100011626294_100000766640 [0,2,0,0,0,0|2,0,0]=4 1532 B12R0.19 CCCC(C)OC(CCC)C(=O)N 7a_100011626294_100000766640 [0,2,0,0,0,0|2,0,0]=4 1533 B12R0.19 CCCC(OC(C)CCO)C(=O)N 34a_100011626294_100009893172 [0,2,0,0,0,0|1,0,0]=3 1534 B12R0.19 CCCC(OC(C)CCO)C(=O)N 7a_100011626294_100009893172 [0,2,0,0,0,0|1,0,0]=3 1535 B12R0.19 CCCC(OC(C)COC)C(=O)N 34a_100011626294_100000765312 [0,2,0,0,0,0|2,0,0]=4 1536 B12R0.19 CCCC(OC(C)COC)C(=O)N 7a_100011626294_100000765312 [0,2,0,0,0,0|2,0,0]=4 1537 B12R0.19 CCC[C@H](NC(=O)CCO)C(=O)N 240690a_100000729256_100011216618 [0,2,0,0,0,0|1,0,1]=4 1538 B12R0.19 CCC[C@H](NC(C)CC#N)C(=O)O 269956a_100000750406_100009813641 [0,2,0,0,0,0|1,0,1]=4 1539 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)N 2230a_100000729256_100009893172 [0,2,0,0,0,0|1,0,0]=3 1540 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)N 34a_100000729256_100009893172 [0,2,0,0,0,0|1,0,0]=3 1541 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)O 269956a_100000750406_100009893172 [0,2,0,0,0,0|0,0,0]=2 1542 B12R0.19 CCC[C@H](NC(C)COC)C(=O)N 2230a_100000729256_100000765312 [0,2,0,0,0,0|2,0,0]=4 1543 B12R0.19 CCC[C@H](NC(C)COC)C(=O)N 34a_100000729256_100000765312 [0,2,0,0,0,0|2,0,0]=4 1544 B12R0.19 CCC[C@H](NC(C)COC)C(=O)O 269956a_100000750406_100000765312 [0,2,0,0,0,0|1,0,0]=3 1545 B12R0.19 COCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000765312 [0,2,0,0,0,0|2,0,0]=4 1546 B12R0.19 COCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000765312 [0,2,0,0,0,0|2,0,0]=4 1547 B12R0.19 COCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000765312 [0,2,0,0,0,0|2,0,0]=4 1548 B12R0.19 COC[C@@H](NC(C)CCO)C(=O)O 269956a_100011998655_100009893172 [0,2,0,0,0,0|1,0,0]=3 1549 B12R0.19 CSC[C@H](NC(C)CCO)C(=O)O 269956a_100011421858_100009893172 [0,2,0,0,0,0|1,0,0]=3 1550 B12R0.19 C[Se]C[C@H](NC(C)CCO)C(=O)O 269956a_100015254316_100009893172 [0,2,0,0,0,0|1,0,0]=3 1551 B12R0.120 CC(C)C[C@H](NCCCF)C(=O)N 2230a_100016989234_100011934791 [0,2,0,0,0,0|2,0,0]=4 1552 B12R0.120 CC(C)C[C@H](NCCCF)C(=O)N 34a_100016989234_100011934791 [0,2,0,0,0,0|2,0,0]=4 1553 B12R0.120 CC(C)C[C@H](NCCCO)C(=O)N 2230a_100016989234_100000230001 [0,2,0,0,0,0|1,0,0]=3 1554 B12R0.120 CC(C)C[C@H](NCCCO)C(=O)N 34a_100016989234_100000230001 [0,2,0,0,0,0|1,0,0]=3 1555 B12R0.120 CCCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210211 [0,2,0,0,0,0|2,0,0]=4 1556 B12R0.120 CCCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210210 [0,2,0,0,0,0|2,0,0]=4 1557 B12R0.120 CCCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210211 [0,2,0,0,0,0|2,0,0]=4 1558 B12R0.120 COCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100011201679 [0,2,0,0,0,0|2,0,0]=4 1559 B12R0.120 COCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011201679 [0,2,0,0,0,0|2,0,0]=4 1560 B12R0.120 COCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000233755 [0,2,0,0,0,0|2,0,0]=4 1561 B12R0.120 CS(=O)C[C@H](NCCCF)C(=O)O 269956a_100009817418_100011934791 [0,2,0,0,0,0|2,0,0]=4 1562 B12R0.120 CS(=O)C[C@H](NCCCO)C(=O)O 269956a_100009817418_100011215043 [0,2,0,0,0,0|1,0,0]=3 1563 B12R0.127 C#CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000688953 [0,2,0,0,0,0|1,0,1]=4 1564 B12R0.127 C=CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000754431 [0,2,0,0,0,0|1,0,1]=4 1565 B12R0.127 CCCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210211 [0,2,0,0,0,0|1,0,0]=3 1566 B12R0.127 CCCCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210211 [0,2,0,0,0,0|2,0,0]=4 1567 B12R0.127 CCCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210211 [0,2,0,0,0,0|2,0,0]=4 1568 B12R0.127 CCOCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000739092 [0,2,0,0,0,0|2,0,0]=4 1569 B12R0.127 CC[C@H](C)[C@@H](NCCC#N)C(=O)O 269956a_100009815163_100011215226 [0,2,0,0,0,0|1,0,1]=4 1570 B12R0.127 CC[C@H](C)[C@@H](NCCCF)C(=O)O 269956a_100009815163_100011934791 [0,2,0,0,0,0|1,0,0]=3 1571 B12R0.127 CC[C@H](C)[C@@H](NCCCO)C(=O)O 269956a_100009815163_100011215043 [0,2,0,0,0,0|0,0,0]=2 1572 B12R0.127 CC[C@H](C)[C@@H](NCCOC)C(=O)O 269956a_100009815163_100000233755 [0,2,0,0,0,0|1,0,0]=3 1573 B12R0.127 CC[C@H](C)[C@@H](NCCSC)C(=O)O 269956a_100009815163_100000212216 [0,2,0,0,0,0|1,1,0]=4 1574 B12R0.127 CC[C@H](C)[C@H](NCCCF)C(=O)N 2230a_100000758034_100011934791 [0,2,0,0,0,0|2,0,0]=4 1575 B12R0.127 CC[C@H](C)[C@H](NCCCO)C(=O)N 2230a_100000758034_100000230001 [0,2,0,0,0,0|1,0,0]=3 1576 B12R0.127 CC[C@H](C)[C@H](NCCOC)C(=O)N 2230a_100000758034_100011201679 [0,2,0,0,0,0|2,0,0]=4 1577 B12R0.127 COCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000233755 [0,2,0,0,0,0|2,0,0]=4 1578 B12R0.127 CO[C@H](C)[C@H](NCCCF)C(=O)O 269956a_100015335849_100011934791 [0,2,0,0,0,0|2,0,0]=4 1579 B12R0.127 CO[C@H](C)[C@H](NCCCO)C(=O)O 269956a_100015335849_100011215043 [0,2,0,0,0,0|1,0,0]=3 1580 B12R0.203 C#CCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000731252 [0,2,0,0,0,0|2,0,0]=4 1581 B12R0.203 C#CCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000695029 [0,2,0,0,0,0|2,0,0]=4 1582 B12R0.203 C#CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100011215417 [0,2,0,0,0,0|1,0,0]=3 1583 B12R0.203 C#CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011215417 [0,2,0,0,0,0|2,0,0]=4 1584 B12R0.203 C#CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011215417 [0,2,0,0,0,0|2,0,0]=4 1585 B12R0.203 C#CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100011215417 [0,2,0,0,0,0|2,0,0]=4 1586 B12R0.203 C#CCCCOC(CCC)C(=O)N 34a_100011626294_100000695029 [0,2,0,0,0,0|2,0,0]=4 1587 B12R0.203 C#CCCCOC(CCC)C(=O)N 7a_100011626294_100011215417 [0,2,0,0,0,0|2,0,0]=4 1588 B12R0.203 C=CCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100011713584 [0,2,0,0,0,0|2,0,0]=4 1589 B12R0.203 C=CCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000757094 [0,2,0,0,0,0|2,0,0]=4 1590 B12R0.203 C=CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100011713584 [0,2,0,0,0,0|1,0,0]=3 1591 B12R0.203 C=CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011713584 [0,2,0,0,0,0|2,0,0]=4 1592 B12R0.203 C=CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011713584 [0,2,0,0,0,0|2,0,0]=4 1593 B12R0.203 C=CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100011713584 [0,2,0,0,0,0|2,0,0]=4 1594 B12R0.203 C=CCCCOC(CCC)C(=O)N 34a_100011626294_100000757094 [0,2,0,0,0,0|2,0,0]=4 1595 B12R0.203 C=CCCCOC(CCC)C(=O)N 7a_100011626294_100000757094 [0,2,0,0,0,0|2,0,0]=4 1596 B12R0.203 C=COCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000039644 [0,2,0,0,0,0|2,0,0]=4 1597 B12R0.203 C=COCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000039644 [0,2,0,0,0,0|2,0,0]=4 1598 B12R0.203 C=COCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000039644 [0,2,0,0,0,0|1,0,0]=3 1599 B12R0.203 C=COCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000039644 [0,2,0,0,0,0|2,0,0]=4 1600 B12R0.203 C=COCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000039644 [0,2,0,0,0,0|2,0,0]=4 1601 B12R0.203 C=COCCN[C@H](COC)C(=O)O 269956a_100011998655_100000039644 [0,2,0,0,0,0|2,0,0]=4 1602 B12R0.203 C=COCCOC(CCC)C(=O)N 34a_100011626294_100000039644 [0,2,0,0,0,0|2,0,0]=4 1603 B12R0.203 C=COCCOC(CCC)C(=O)N 7a_100011626294_100000039644 [0,2,0,0,0,0|2,0,0]=4 1604 B12R0.203 CC/C=C\CN[C@@H](CCC)C(=O)O 269956a_100000750406_100103147603 [0,2,0,0,0,0|1,0,1]=4 1605 B12R0.203 CCC#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100009813939 [0,2,0,0,0,0|1,0,1]=4 1606 B12R0.203 CCCC(OCC#CCO)C(=O)N 34a_100011626294_200000047223 [0,2,0,0,0,0|1,0,1]=4 1607 B12R0.203 CCCC(OCC#CCO)C(=O)N 7a_100011626294_200000047223 [0,2,0,0,0,0|1,0,1]=4 1608 B12R0.203 CCCC(OCCCC#N)C(=O)N 7a_100011626294_100000687738 [0,2,0,0,0,0|2,0,0]=4 1609 B12R0.203 CCCC(OCCCC=O)C(=O)N 7a_100011626294_200011292268 [0,2,0,0,0,0|1,0,1]=4 1610 B12R0.203 CCCC(OCCCCF)C(=O)N 34a_100011626294_100000729493 [0,2,0,0,0,0|2,0,0]=4 1611 B12R0.203 CCCC(OCCCCF)C(=O)N 7a_100011626294_100000729493 [0,2,0,0,0,0|2,0,0]=4 1612 B12R0.203 CCCC(OCCCCO)C(=O)N 34a_100011626294_100011216708 [0,2,0,0,0,0|1,0,0]=3 1613 B12R0.203 CCCC(OCCCCO)C(=O)N 7a_100011626294_100000210776 [0,2,0,0,0,0|1,0,0]=3 1614 B12R0.203 CCCC(OCCCOC)C(=O)N 34a_100011626294_100000740836 [0,2,0,0,0,0|1,0,0]=3 1615 B12R0.203 CCCC(OCCCOC)C(=O)N 7a_100011626294_100000740836 [0,2,0,0,0,0|1,0,0]=3 1616 B12R0.203 CCCC(OCCOCC)C(=O)N 34a_100011626294_100000210147 [0,2,0,0,0,0|2,0,0]=4 1617 B12R0.203 CCCC(OCCOCC)C(=O)N 7a_100011626294_100011215890 [0,2,0,0,0,0|2,0,0]=4 1618 B12R0.203 CCCC(OCCSCC)C(=O)N 34a_100011626294_100000757381 [0,2,0,0,0,0|2,0,0]=4 1619 B12R0.203 CCCC(OCCSCC)C(=O)N 7a_100011626294_100000757381 [0,2,0,0,0,0|2,0,0]=4 1620 B12R0.203 CCCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210326 [0,2,0,0,0,0|2,0,0]=4 1621 B12R0.203 CCCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000718602 [0,2,0,0,0,0|2,0,0]=4 1622 B12R0.203 CCCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210326 [0,2,0,0,0,0|1,0,0]=3 1623 B12R0.203 CCCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210326 [0,2,0,0,0,0|2,0,0]=4 1624 B12R0.203 CCCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210326 [0,2,0,0,0,0|2,0,0]=4 1625 B12R0.203 CCCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210326 [0,2,0,0,0,0|2,0,0]=4 1626 B12R0.203 CCCCCOC(CCC)C(=O)N 34a_100011626294_100000718602 [0,2,0,0,0,0|2,0,0]=4 1627 B12R0.203 CCCCCOC(CCC)C(=O)N 7a_100011626294_100000210326 [0,2,0,0,0,0|2,0,0]=4 1628 B12R0.203 CCC[C@H](NCC#CCO)C(=O)N 2230a_100000729256_200000047223 [0,2,0,0,0,0|1,0,1]=4 1629 B12R0.203 CCC[C@H](NCC#CCO)C(=O)N 34a_100000729256_200000047223 [0,2,0,0,0,0|1,0,1]=4 1630 B12R0.203 CCC[C@H](NCC#CCO)C(=O)O 269956a_100000750406_200000047223 [0,2,0,0,0,0|0,0,1]=3 1631 B12R0.203 CCC[C@H](NCCCC#N)C(=O)N 2230a_100000729256_100000687738 [0,2,0,0,0,0|2,0,0]=4 1632 B12R0.203 CCC[C@H](NCCCC#N)C(=O)O 269956a_100000750406_100000687738 [0,2,0,0,0,0|1,0,0]=3 1633 B12R0.203 CCC[C@H](NCCCC=O)C(=O)N 2230a_100000729256_200011292268 [0,2,0,0,0,0|1,0,1]=4 1634 B12R0.203 CCC[C@H](NCCCC=O)C(=O)O 269956a_100000750406_200011292268 [0,2,0,0,0,0|0,0,1]=3 1635 B12R0.203 CCC[C@H](NCCCCF)C(=O)N 2230a_100000729256_100000729493 [0,2,0,0,0,0|2,0,0]=4 1636 B12R0.203 CCC[C@H](NCCCCF)C(=O)N 34a_100000729256_100000729493 [0,2,0,0,0,0|2,0,0]=4 1637 B12R0.203 CCC[C@H](NCCCCF)C(=O)O 269956a_100000750406_100000729493 [0,2,0,0,0,0|1,0,0]=3 1638 B12R0.203 CCC[C@H](NCCCCO)C(=O)N 2230a_100000729256_100000210776 [0,2,0,0,0,0|1,0,0]=3 1639 B12R0.203 CCC[C@H](NCCCCO)C(=O)N 34a_100000729256_100011216708 [0,2,0,0,0,0|1,0,0]=3 1640 B12R0.203 CCC[C@H](NCCCCO)C(=O)O 269956a_100000750406_100000210776 [0,2,0,0,0,0|0,0,0]=2 1641 B12R0.203 CCC[C@H](NCCCOC)C(=O)N 2230a_100000729256_100000740836 [0,2,0,0,0,0|1,0,0]=3 1642 B12R0.203 CCC[C@H](NCCCOC)C(=O)N 34a_100000729256_100000740836 [0,2,0,0,0,0|1,0,0]=3 1643 B12R0.203 CCC[C@H](NCCCOC)C(=O)O 269956a_100000750406_100000740836 [0,2,0,0,0,0|0,0,0]=2 1644 B12R0.203 CCC[C@H](NCCOCC)C(=O)N 2230a_100000729256_100011215890 [0,2,0,0,0,0|2,0,0]=4 1645 B12R0.203 CCC[C@H](NCCOCC)C(=O)N 34a_100000729256_100000210147 [0,2,0,0,0,0|2,0,0]=4 1646 B12R0.203 CCC[C@H](NCCOCC)C(=O)O 269956a_100000750406_100000210147 [0,2,0,0,0,0|1,0,0]=3 1647 B12R0.203 CCC[C@H](NCCSC#N)C(=O)O 269956a_100000750406_100000034367 [0,2,0,0,0,0|1,0,1]=4 1648 B12R0.203 CCC[C@H](NCCSCC)C(=O)N 2230a_100000729256_100000757381 [0,2,0,0,0,0|2,0,0]=4 1649 B12R0.203 CCC[C@H](NCCSCC)C(=O)N 34a_100000729256_100000757381 [0,2,0,0,0,0|2,0,0]=4 1650 B12R0.203 CCC[C@H](NCCSCC)C(=O)O 269956a_100000750406_100000757381 [0,2,0,0,0,0|1,0,0]=3 1651 B12R0.203 CCOCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210147 [0,2,0,0,0,0|2,0,0]=4 1652 B12R0.203 CCOCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210147 [0,2,0,0,0,0|2,0,0]=4 1653 B12R0.203 CCOCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210147 [0,2,0,0,0,0|2,0,0]=4 1654 B12R0.203 CCSCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000757381 [0,2,0,0,0,0|2,0,0]=4 1655 B12R0.203 CCSCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000757381 [0,2,0,0,0,0|2,0,0]=4 1656 B12R0.203 CCSCCN[C@H](COC)C(=O)O 269956a_100011998655_100000757381 [0,2,0,0,0,0|2,0,0]=4 1657 B12R0.203 COCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000740836 [0,2,0,0,0,0|1,0,0]=3 1658 B12R0.203 COCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000740836 [0,2,0,0,0,0|1,0,0]=3 1659 B12R0.203 COCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000740836 [0,2,0,0,0,0|1,0,0]=3 1660 B12R0.203 COC[C@@H](NCC#CCO)C(=O)O 269956a_100011998655_200000047223 [0,2,0,0,0,0|1,0,1]=4 1661 B12R0.203 COC[C@@H](NCCCC#N)C(=O)O 269956a_100011998655_100000687738 [0,2,0,0,0,0|2,0,0]=4 1662 B12R0.203 COC[C@@H](NCCCC=O)C(=O)O 269956a_100011998655_200011292268 [0,2,0,0,0,0|1,0,1]=4 1663 B12R0.203 COC[C@@H](NCCCCF)C(=O)O 269956a_100011998655_100000729493 [0,2,0,0,0,0|2,0,0]=4 1664 B12R0.203 COC[C@@H](NCCCCO)C(=O)O 269956a_100011998655_100000210776 [0,2,0,0,0,0|1,0,0]=3 1665 B12R0.203 CSC[C@H](NCC#CCO)C(=O)O 269956a_100011421858_200000047223 [0,2,0,0,0,0|1,0,1]=4 1666 B12R0.203 CSC[C@H](NCCCC#N)C(=O)O 269956a_100011421858_100000687738 [0,2,0,0,0,0|2,0,0]=4 1667 B12R0.203 CSC[C@H](NCCCC=O)C(=O)O 269956a_100011421858_200011292268 [0,2,0,0,0,0|1,0,1]=4 1668 B12R0.203 CSC[C@H](NCCCCF)C(=O)O 269956a_100011421858_100000729493 [0,2,0,0,0,0|2,0,0]=4 1669 B12R0.203 CSC[C@H](NCCCCO)C(=O)O 269956a_100011421858_100000210776 [0,2,0,0,0,0|1,0,0]=3 1670 B12R0.203 C[Se]C[C@H](NCC#CCO)C(=O)O 269956a_100015254316_200000047223 [0,2,0,0,0,0|1,0,1]=4 1671 B12R0.203 C[Se]C[C@H](NCCCC#N)C(=O)O 269956a_100015254316_100000687738 [0,2,0,0,0,0|2,0,0]=4 1672 B12R0.203 C[Se]C[C@H](NCCCC=O)C(=O)O 269956a_100015254316_200011292268 [0,2,0,0,0,0|1,0,1]=4 1673 B12R0.203 C[Se]C[C@H](NCCCCF)C(=O)O 269956a_100015254316_100000729493 [0,2,0,0,0,0|2,0,0]=4 1674 B12R0.203 C[Se]C[C@H](NCCCCO)C(=O)O 269956a_100015254316_100000210776 [0,2,0,0,0,0|1,0,0]=3 1675 B12R0.397 C=C(C)CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730704 [0,2,0,0,0,0|1,0,1]=4 1676 B12R0.397 CCCC(OCCC(C)C)C(=O)N 34a_100011626294_100000210312 [0,2,0,0,0,0|2,0,0]=4 1677 B12R0.397 CCCC(OCCC(C)C)C(=O)N 7a_100011626294_100000210626 [0,2,0,0,0,0|2,0,0]=4 1678 B12R0.397 CCCC(OCCC(C)O)C(=O)N 34a_100011626294_100012276601 [0,2,0,0,0,0|1,0,0]=3 1679 B12R0.397 CCCC(OCCC(C)O)C(=O)N 7a_100011626294_100012276601 [0,2,0,0,0,0|1,0,0]=3 1680 B12R0.397 CCC[C@H](NCCC(=O)C)C(=O)O 269956a_100000750406_100000053229 [0,2,0,0,0,0|0,0,2]=4 1681 B12R0.397 CCC[C@H](NCCC(=O)N)C(=O)O 269956a_100000750406_100000744528 [0,2,0,0,0,0|0,0,2]=4 1682 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)N 2230a_100000729256_100000210312 [0,2,0,0,0,0|2,0,0]=4 1683 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)N 34a_100000729256_100000210312 [0,2,0,0,0,0|2,0,0]=4 1684 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)O 269956a_100000750406_100000210312 [0,2,0,0,0,0|1,0,0]=3 1685 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)N 2230a_100000729256_100012276601 [0,2,0,0,0,0|1,0,0]=3 1686 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)N 34a_100000729256_100012276601 [0,2,0,0,0,0|1,0,0]=3 1687 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)O 269956a_100000750406_100012276601 [0,2,0,0,0,0|0,0,0]=2 1688 B12R0.397 CCC[C@H](NCCN(C)C)C(=O)O 269956a_100000750406_100000755713 [0,2,0,0,0,0|2,0,0]=4 1689 B12R0.397 CCC[C@H](NCOC(C)C)C(=O)O 269956a_100000750406_100000709892 [0,2,0,0,0,0|2,0,0]=4 1690 B12R0.397 COC[C@@H](NCCC(C)C)C(=O)O 269956a_100011998655_100000210312 [0,2,0,0,0,0|2,0,0]=4 1691 B12R0.397 COC[C@@H](NCCC(C)O)C(=O)O 269956a_100011998655_100012276601 [0,2,0,0,0,0|1,0,0]=3 1692 B12R0.397 CSC[C@H](NCCC(C)C)C(=O)O 269956a_100011421858_100000210312 [0,2,0,0,0,0|2,0,0]=4 1693 B12R0.397 CSC[C@H](NCCC(C)O)C(=O)O 269956a_100011421858_100012276601 [0,2,0,0,0,0|1,0,0]=3 1694 B12R0.397 C[Se]C[C@H](NCCC(C)C)C(=O)O 269956a_100015254316_100000210312 [0,2,0,0,0,0|2,0,0]=4 1695 B12R0.397 C[Se]C[C@H](NCCC(C)O)C(=O)O 269956a_100015254316_100012276601 [0,2,0,0,0,0|1,0,0]=3 1696 B12R0.403 C=CC(O)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100000730141 [0,2,0,0,0,0|2,0,0]=4 1697 B12R0.403 C=CC(O)CN[C@@H](CCC)C(=O)N 34a_100000729256_100000730141 [0,2,0,0,0,0|2,0,0]=4 1698 B12R0.403 C=CC(O)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730141 [0,2,0,0,0,0|1,0,0]=3 1699 B12R0.403 C=CC(O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000730141 [0,2,0,0,0,0|2,0,0]=4 1700 B12R0.403 C=CC(O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000730141 [0,2,0,0,0,0|2,0,0]=4 1701 B12R0.403 C=CC(O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000730141 [0,2,0,0,0,0|2,0,0]=4 1702 B12R0.403 C=CC(O)COC(CCC)C(=O)N 34a_100011626294_100000730141 [0,2,0,0,0,0|2,0,0]=4 1703 B12R0.403 C=CC(O)COC(CCC)C(=O)N 7a_100011626294_100000730141 [0,2,0,0,0,0|2,0,0]=4 1704 B12R0.403 CCC(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748023 [0,2,0,0,0,0|2,0,0]=4 1705 B12R0.403 CCC(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748023 [0,2,0,0,0,0|2,0,0]=4 1706 B12R0.403 CCC(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748023 [0,2,0,0,0,0|2,0,0]=4 1707 B12R0.403 CCC(O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218378 [0,2,0,0,0,0|2,0,0]=4 1708 B12R0.403 CCC(O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218378 [0,2,0,0,0,0|2,0,0]=4 1709 B12R0.403 CCC(O)CN[C@H](COC)C(=O)O 269956a_100011998655_100011218378 [0,2,0,0,0,0|2,0,0]=4 1710 B12R0.403 CCCC(OCC(C)CC)C(=O)N 34a_100011626294_100000748023 [0,2,0,0,0,0|2,0,0]=4 1711 B12R0.403 CCCC(OCC(C)CC)C(=O)N 7a_100011626294_100000748023 [0,2,0,0,0,0|2,0,0]=4 1712 B12R0.403 CCCC(OCC(O)CC)C(=O)N 34a_100011626294_100011218378 [0,2,0,0,0,0|2,0,0]=4 1713 B12R0.403 CCCC(OCC(O)CC)C(=O)N 7a_100011626294_100011218378 [0,2,0,0,0,0|2,0,0]=4 1714 B12R0.403 CCCC(OCC(O)CO)C(=O)N 34a_100011626294_100011219619 [0,2,0,0,0,0|1,0,0]=3 1715 B12R0.403 CCCC(OCC(O)CO)C(=O)N 7a_100011626294_100011219619 [0,2,0,0,0,0|1,0,0]=3 1716 B12R0.403 CCCC(OC[C@@H](C)CC)C(=O)N 34a_100011626294_100009816398 [0,2,0,0,0,0|2,0,0]=4 1717 B12R0.403 CCCC(OC[C@@H](C)CC)C(=O)N 7a_100011626294_100009816398 [0,2,0,0,0,0|2,0,0]=4 1718 B12R0.403 CCCC(OC[C@@H](C)CO)C(=O)N 34a_100011626294_100000059175 [0,2,0,0,0,0|1,0,0]=3 1719 B12R0.403 CCCC(OC[C@@H](C)CO)C(=O)N 7a_100011626294_100000059175 [0,2,0,0,0,0|1,0,0]=3 1720 B12R0.403 CCCC(OC[C@@H](O)CF)C(=O)N 34a_100011626294_100015614560 [0,2,0,0,0,0|2,0,0]=4 1721 B12R0.403 CCCC(OC[C@@H](O)CF)C(=O)N 7a_100011626294_100015614560 [0,2,0,0,0,0|2,0,0]=4 1722 B12R0.403 CCCC(OC[C@@H](O)CO)C(=O)N 34a_100011626294_100009815848 [0,2,0,0,0,0|1,0,0]=3 1723 B12R0.403 CCCC(OC[C@@H](O)CO)C(=O)N 7a_100011626294_100009815848 [0,2,0,0,0,0|1,0,0]=3 1724 B12R0.403 CCC[C@H](NCC(=O)CC)C(=O)O 269956a_100000750406_100000747405 [0,2,0,0,0,0|1,0,1]=4 1725 B12R0.403 CCC[C@H](NCC(=O)OC)C(=O)O 269956a_100000750406_100000747449 [0,2,0,0,0,0|1,0,1]=4 1726 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)N 2230a_100000729256_100000748023 [0,2,0,0,0,0|2,0,0]=4 1727 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)N 34a_100000729256_100000748023 [0,2,0,0,0,0|2,0,0]=4 1728 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)O 269956a_100000750406_100000748023 [0,2,0,0,0,0|1,0,0]=3 1729 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)N 2230a_100000729256_100011218378 [0,2,0,0,0,0|2,0,0]=4 1730 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)N 34a_100000729256_100011218378 [0,2,0,0,0,0|2,0,0]=4 1731 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)O 269956a_100000750406_100011218378 [0,2,0,0,0,0|1,0,0]=3 1732 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)N 2230a_100000729256_100011219619 [0,2,0,0,0,0|1,0,0]=3 1733 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)N 34a_100000729256_100011219619 [0,2,0,0,0,0|1,0,0]=3 1734 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)O 269956a_100000750406_100011219619 [0,2,0,0,0,0|0,0,0]=2 1735 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)N 2230a_100000729256_100009816398 [0,2,0,0,0,0|2,0,0]=4 1736 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)N 34a_100000729256_100009816398 [0,2,0,0,0,0|2,0,0]=4 1737 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)O 269956a_100000750406_100009816398 [0,2,0,0,0,0|1,0,0]=3 1738 B12R0.403 CCC[C@H](NC[C@@H](C)CO)C(=O)N 2230a_100000729256_100000059175 [0,2,0,0,0,0|1,0,0]=3 1739 B12R0.403 CCC[C@H](NC[C@@H](C)CO)C(=O)N 34a_100000729256_100000059175 [0,2,0,0,0,0|1,0,0]=3 1740 B12R0.403 CCC[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100000750406_100000059175 [0,2,0,0,0,0|0,0,0]=2 1741 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)N 2230a_100000729256_100015614560 [0,2,0,0,0,0|2,0,0]=4 1742 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)N 34a_100000729256_100015614560 [0,2,0,0,0,0|2,0,0]=4 1743 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000750406_100015614560 [0,2,0,0,0,0|1,0,0]=3 1744 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)N 2230a_100000729256_100009815848 [0,2,0,0,0,0|1,0,0]=3 1745 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)N 34a_100000729256_100009815848 [0,2,0,0,0,0|1,0,0]=3 1746 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000750406_100009815848 [0,2,0,0,0,0|0,0,0]=2 1747 B12R0.403 CC[C@H](C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100009816398 [0,2,0,0,0,0|2,0,0]=4 1748 B12R0.403 CC[C@H](C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100009816398 [0,2,0,0,0,0|2,0,0]=4 1749 B12R0.403 CC[C@H](C)CN[C@H](COC)C(=O)O 269956a_100011998655_100009816398 [0,2,0,0,0,0|2,0,0]=4 1750 B12R0.403 COC[C@@H](NCC(O)CO)C(=O)O 269956a_100011998655_100011219619 [0,2,0,0,0,0|1,0,0]=3 1751 B12R0.403 COC[C@@H](NC[C@@H](C)CO)C(=O)O 269956a_100011998655_100000059175 [0,2,0,0,0,0|1,0,0]=3 1752 B12R0.403 COC[C@@H](NC[C@@H](O)CF)C(=O)O 269956a_100011998655_100015614560 [0,2,0,0,0,0|2,0,0]=4 1753 B12R0.403 COC[C@@H](NC[C@@H](O)CO)C(=O)O 269956a_100011998655_100009815848 [0,2,0,0,0,0|1,0,0]=3 1754 B12R0.403 CSC[C@H](NCC(O)CO)C(=O)O 269956a_100011421858_100011219619 [0,2,0,0,0,0|1,0,0]=3 1755 B12R0.403 CSC[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100011421858_100000059175 [0,2,0,0,0,0|1,0,0]=3 1756 B12R0.403 CSC[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100011421858_100015614560 [0,2,0,0,0,0|2,0,0]=4 1757 B12R0.403 CSC[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100011421858_100009815848 [0,2,0,0,0,0|1,0,0]=3 1758 B12R0.403 C[Se]C[C@H](NCC(O)CO)C(=O)O 269956a_100015254316_100011219619 [0,2,0,0,0,0|1,0,0]=3 1759 B12R0.403 C[Se]C[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100015254316_100000059175 [0,2,0,0,0,0|1,0,0]=3 1760 B12R0.403 C[Se]C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100015254316_100015614560 [0,2,0,0,0,0|2,0,0]=4 1761 B12R0.403 C[Se]C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100015254316_100009815848 [0,2,0,0,0,0|1,0,0]=3 1762 B12R0.138 CC(C)C[C@H](NCC(C)O)C(=O)N 2230a_100016989234_100011218427 [0,2,0,0,0,0|2,0,0]=4 1763 B12R0.138 CC(C)C[C@H](NCC(C)O)C(=O)N 34a_100016989234_100011218427 [0,2,0,0,0,0|2,0,0]=4 1764 B12R0.138 CC(C)C[C@H](NC[C@@H](C)O)C(=O)N 2230a_100016989234_100009817552 [0,2,0,0,0,0|2,0,0]=4 1765 B12R0.138 CC(C)C[C@H](NC[C@@H](C)O)C(=O)N 34a_100016989234_100009817552 [0,2,0,0,0,0|2,0,0]=4 1766 B12R0.138 CC(O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218427 [0,2,0,0,0,0|2,0,0]=4 1767 B12R0.138 C[C@@H](O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100009817552 [0,2,0,0,0,0|2,0,0]=4 1768 B12R0.350 CC[C@H](C)[C@@H](NCC(C)C)C(=O)O 269956a_100009815163_100000210760 [0,2,0,0,0,0|2,0,0]=4 1769 B12R0.350 CC[C@H](C)[C@@H](NCC(C)O)C(=O)O 269956a_100009815163_100011218427 [0,2,0,0,0,0|1,0,0]=3 1770 B12R0.350 CC[C@H](C)[C@@H](NCC(F)F)C(=O)O 269956a_100009815163_100011934356 [0,2,0,0,0,0|2,0,0]=4 1771 B12R0.350 CC[C@H](C)[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100009815163_100009817552 [0,2,0,0,0,0|1,0,0]=3 1772 B12R0.350 CC[C@H](C)[C@H](NCC(C)O)C(=O)N 2230a_100000758034_100011218427 [0,2,0,0,0,0|2,0,0]=4 1773 B12R0.350 CC[C@H](C)[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000758034_100009817552 [0,2,0,0,0,0|2,0,0]=4 1774 B12R0.350 CO[C@H](C)[C@H](NCC(C)O)C(=O)O 269956a_100015335849_100011218427 [0,2,0,0,0,0|2,0,0]=4 1775 B12R0.350 CO[C@H](C)[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015335849_100009817552 [0,2,0,0,0,0|2,0,0]=4 1776 B12R0.550 CCCC(OCC(C)(C)O)C(=O)N 34a_100011626294_100000764493 [0,2,0,0,0,0|2,0,0]=4 1777 B12R0.550 CCCC(OCC(C)(C)O)C(=O)N 7a_100011626294_100000764493 [0,2,0,0,0,0|2,0,0]=4 1778 B12R0.550 CCC[C@H](NCC(C)(C)C)C(=O)O 269956a_100000750406_100011219605 [0,2,0,0,0,0|2,0,0]=4 1779 B12R0.550 CCC[C@H](NCC(C)(C)F)C(=O)O 269956a_100000750406_100011997219 [0,2,0,0,0,0|2,0,0]=4 1780 B12R0.550 CCC[C@H](NCC(C)(C)O)C(=O)N 34a_100000729256_100000764493 [0,2,0,0,0,0|2,0,0]=4 1781 B12R0.550 CCC[C@H](NCC(C)(C)O)C(=O)O 269956a_100000750406_100000764493 [0,2,0,0,0,0|1,0,0]=3 1782 B12R0.550 CCC[C@H](NCC(F)(F)F)C(=O)O 269956a_100000750406_100000763148 [0,2,0,0,0,0|2,0,0]=4 1783 B12R0.550 CCNC(CCC(F)(F)F)C(=O)O 269956a_100000698452_100000210202 [0,2,0,0,0,0|2,0,0]=4 1784 B12R0.550 CCN[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_100000210202 [0,2,0,0,0,0|2,0,0]=4 1785 B12R0.550 COC[C@@H](NCC(C)(C)O)C(=O)O 269956a_100011998655_100000764493 [0,2,0,0,0,0|2,0,0]=4 1786 B12R0.550 CSC[C@H](NCC(C)(C)O)C(=O)O 269956a_100011421858_100000764493 [0,2,0,0,0,0|2,0,0]=4 1787 B12R0.550 C[Se]C[C@H](NCC(C)(C)O)C(=O)O 269956a_100015254316_100000764493 [0,2,0,0,0,0|2,0,0]=4 1788 B12R0.151 CC(C)C[C@H](NC(C)CO)C(=O)N 2230a_100016989234_100012180447 [0,2,0,0,0,0|2,0,0]=4 1789 B12R0.151 CC(C)C[C@H](NC(C)CO)C(=O)N 34a_100016989234_100012180447 [0,2,0,0,0,0|2,0,0]=4 1790 B12R0.151 C[C@H](CO)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100016084084 [0,2,0,0,0,0|2,0,0]=4 1791 B12R0.288 CC(=O)N(CCCO)CC(C)(C)C 1626a_100000752882_100015343762 [0,2,0,0,0,0|2,0,0]=4 1792 B12R0.288 CC(=O)N(CCCO)CC(C)(C)C 240690a_100000752882_100015343762 [0,2,0,0,0,0|2,0,0]=4 1793 B12R0.288 CC(=O)N(CCCO)CC(C)(C)C 527a_100000752882_100103153847 [0,2,0,0,0,0|2,0,0]=4 1794 B12R0.288 CC(C)(C)CC(NCCF)C(=O)O 269956a_100000691758_100011217306 [0,2,0,0,0,0|2,0,0]=4 1795 B12R0.288 CC(C)(C)CC(NCCO)C(=O)O 269956a_100000691758_100000211926 [0,2,0,0,0,0|1,0,0]=3 1796 B12R0.288 CC(C)(F)C[C@H](NCCF)C(=O)O 269956a_100016039316_100011217306 [0,2,0,0,0,0|2,0,0]=4 1797 B12R0.288 CC(C)(F)C[C@H](NCCO)C(=O)O 269956a_100016039316_100000211926 [0,2,0,0,0,0|1,0,0]=3 1798 B12R0.288 CCCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210207 [0,2,0,0,0,0|2,0,0]=4 1799 B12R0.288 CCCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210207 [0,2,0,0,0,0|2,0,0]=4 1800 B12R0.288 O=C(O)C(CC(F)(F)F)NCCO 269956a_100000685204_100000211926 [0,2,0,0,0,0|2,0,0]=4 1801 B12R0.158 CCC(C)N[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000758301 [0,2,0,0,0,0|2,0,0]=4 1802 B12R0.158 CC[C@H](C)[C@@H](N[C@H](C)CO)C(=O)O 269956a_100009815163_100016084084 [0,2,0,0,0,0|1,0,0]=3 1803 B12R0.158 CC[C@H](C)[C@H](NC(C)CO)C(=O)N 2230a_100000758034_100012180447 [0,2,0,0,0,0|2,0,0]=4 1804 B12R0.158 CO[C@H](C)[C@H](N[C@H](C)CO)C(=O)O 269956a_100015335849_100016084084 [0,2,0,0,0,0|2,0,0]=4 1805 B12R0.29 CCC[C@H](NC(CC)CC)C(=O)O 269956a_100000750406_100000210505 [0,2,0,0,0,0|2,0,0]=4 1806 B12R0.372 CCC[C@H](NC(C)(C)CC)C(=O)O 269956a_100000750406_100000032637 [0,2,0,0,0,0|2,0,0]=4 1807 B12R0.372 CCC[C@H](NC(F)(F)CO)C(=O)O 269956a_100000750406_100011217949 [0,2,0,0,0,0|1,0,0]=3 1808 B12R0.372 COC[C@@H](NC(F)(F)CO)C(=O)O 269956a_100011998655_100011217949 [0,2,0,0,0,0|2,0,0]=4 1809 B12R0.372 CSC[C@H](NC(F)(F)CO)C(=O)O 269956a_100011421858_100011217949 [0,2,0,0,0,0|2,0,0]=4 1810 B12R0.372 C[Se]C[C@H](NC(F)(F)CO)C(=O)O 269956a_100015254316_100011217949 [0,2,0,0,0,0|2,0,0]=4 1811 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [1,0,0,1,0,0|2,0,0]=4 1812 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [1,0,0,1,0,0|1,0,0]=3 1813 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [1,0,0,1,0,0|2,0,0]=4 1814 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [1,0,0,1,0,0|2,0,0]=4 1815 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [1,0,0,1,0,0|2,0,0]=4 1816 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [1,0,0,1,0,0|2,0,0]=4 1817 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [1,0,0,1,0,0|2,0,0]=4 1818 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [1,0,0,1,0,0|1,0,0]=3 1819 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [1,0,0,1,0,0|2,0,0]=4 1820 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|2,0,0]=4 1821 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|2,0,0]=4 1822 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|2,0,0]=4 1823 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [1,0,0,1,0,0|2,0,0]=4 1824 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [1,0,0,1,0,0|2,0,0]=4 1825 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [1,0,0,1,0,0|2,0,0]=4 1826 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [1,0,0,1,0,0|2,0,0]=4 1827 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [1,0,0,1,0,0|2,0,0]=4 1828 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [1,0,0,1,0,0|2,0,0]=4 1829 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [1,0,0,1,0,0|2,0,0]=4 1830 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [1,0,0,1,0,0|2,0,0]=4 1831 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [1,0,0,1,0,0|2,0,0]=4 1832 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [1,0,0,1,0,0|2,0,0]=4 1833 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [1,0,0,1,0,0|1,0,0]=3 1834 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [1,0,0,1,0,0|1,0,0]=3 1835 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 1836 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [1,0,0,1,0,0|2,0,0]=4 1837 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [1,0,0,1,0,0|2,0,0]=4 1838 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [1,0,0,1,0,0|1,0,0]=3 1839 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [1,0,0,1,0,0|1,0,0]=3 1840 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [1,0,0,1,0,0|2,0,0]=4 1841 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [1,0,0,1,0,0|2,0,0]=4 1842 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [1,0,0,1,0,0|2,0,0]=4 1843 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [1,0,0,1,0,0|2,0,0]=4 1844 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|2,0,0]=4 1845 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|2,0,0]=4 1846 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|2,0,0]=4 1847 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|2,0,0]=4 1848 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|2,0,0]=4 1849 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [1,0,0,1,0,0|2,0,0]=4 1850 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [1,0,0,1,0,0|1,0,0]=3 1851 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [1,0,0,1,0,0|2,0,0]=4 1852 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [1,0,0,1,0,0|2,0,0]=4 1853 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|2,0,0]=4 1854 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|2,0,0]=4 1855 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 1856 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 1857 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 1858 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [1,0,0,1,0,0|2,0,0]=4 1859 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|2,0,0]=4 1860 B10R1.437 CC(=O)C1(CC1)SCCO 62a_100000086384_100000211926 [1,0,0,1,0,0|2,0,0]=4 1861 B10R1.437 CC(=O)C1(CC1)SCCO 62a_100000211926_100000086384 [1,0,0,1,0,0|2,0,0]=4 1862 B10R1.437 CCCNC1(CC1)C(=O)O 269956a_100000746478_100000210207 [1,0,0,1,0,0|2,0,0]=4 1863 B10R1.437 CCNCC1(CC1)C(=O)O 269956a_100000703410_100000210202 [1,0,0,1,0,0|2,0,0]=4 1864 B10R1.437 CNCCC1(CC1)C(=O)O 269956a_100000690630_200000210301 [1,0,0,1,0,0|2,0,0]=4 1865 B10R1.437 NC(=O)C1(CC1)NCCO 2230a_100000687655_100000211926 [1,0,0,1,0,0|2,0,0]=4 1866 B10R1.437 NC(=O)C1(CC1)NCCO 34a_100016990907_100010760883 [1,0,0,1,0,0|2,0,0]=4 1867 B10R1.437 NC(=O)C1(CC1)SCCO 62a_100000211926_100010760883 [1,0,0,1,0,0|2,0,0]=4 1868 B10R1.437 NC(=O)C1(CC1)SCCO 62a_100010760883_100000211926 [1,0,0,1,0,0|2,0,0]=4 1869 B10R1.437 O=C(O)C1(CC1)CNCF 269956a_100000703410_100015361967 [1,0,0,1,0,0|2,0,0]=4 1870 B10R1.437 O=C(O)C1(CC1)NCCF 269956a_100000746478_100011217306 [1,0,0,1,0,0|2,0,0]=4 1871 B10R1.437 O=C(O)C1(CC1)NCCO 269956a_100000746478_100000211926 [1,0,0,1,0,0|1,0,0]=3 1872 B10R1.437 [13CH3]NCCC1(CC1)C(=O)O 269956a_100000690630_200025704644 [1,0,0,1,0,0|2,0,0]=4 1873 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [1,0,0,1,0,0|2,0,0]=4 1874 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [1,0,0,1,0,0|2,0,0]=4 1875 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [1,0,0,1,0,0|2,0,0]=4 1876 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 1877 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [1,0,0,1,0,0|2,0,0]=4 1878 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 1879 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [1,0,0,1,0,0|2,0,0]=4 1880 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [1,0,0,1,0,0|2,0,0]=4 1881 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [1,0,0,1,0,0|2,0,0]=4 1882 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [1,0,0,1,0,0|2,0,0]=4 1883 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [1,0,0,1,0,0|2,0,0]=4 1884 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [1,0,0,1,0,0|2,0,0]=4 1885 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [1,0,0,1,0,0|2,0,0]=4 1886 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [1,0,0,1,0,0|2,0,0]=4 1887 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 1888 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 1889 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 1890 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 1891 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [1,0,0,1,0,0|2,0,0]=4 1892 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [1,0,0,1,0,0|2,0,0]=4 1893 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 1894 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 1895 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 1896 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|2,0,0]=4 1897 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|2,0,0]=4 1898 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|2,0,0]=4 1899 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|2,0,0]=4 1900 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,0]=3 1901 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [1,0,0,1,0,0|2,0,0]=4 1902 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,1,0,0|2,0,0]=4 1903 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|2,0,0]=4 1904 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [1,0,0,1,0,0|2,0,0]=4 1905 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [1,0,0,1,0,0|2,0,0]=4 1906 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [1,0,0,1,0,0|2,0,0]=4 1907 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [1,0,0,1,0,0|1,0,0]=3 1908 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [1,0,0,1,0,0|1,0,0]=3 1909 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [1,0,0,1,0,0|2,0,0]=4 1910 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [1,0,0,1,0,0|2,0,0]=4 1911 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [1,0,0,1,0,0|2,0,0]=4 1912 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [1,0,0,1,0,0|2,0,0]=4 1913 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [1,0,0,1,0,0|2,0,0]=4 1914 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [1,0,0,1,0,0|2,0,0]=4 1915 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [1,0,0,1,0,0|2,0,0]=4 1916 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [1,0,0,1,0,0|2,0,0]=4 1917 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [1,0,0,1,0,0|2,0,0]=4 1918 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [1,0,0,1,0,0|2,0,0]=4 1919 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [1,0,0,1,0,0|1,0,0]=3 1920 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1921 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1922 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1923 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [1,0,0,1,0,0|2,0,0]=4 1924 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [1,0,0,1,0,0|1,0,0]=3 1925 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1926 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1927 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1928 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [1,0,0,1,0,0|2,0,0]=4 1929 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [1,0,0,1,0,0|2,0,0]=4 1930 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [1,0,0,1,0,0|1,0,0]=3 1931 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [1,0,0,1,0,0|1,0,0]=3 1932 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [1,0,0,1,0,0|1,0,0]=3 1933 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [1,0,0,1,0,0|1,0,0]=3 1934 B10R1.290 CC(=O)N(CCO)C1CC1 240690a_100000738766_100015343762 [1,0,0,1,0,0|2,0,0]=4 1935 B10R1.290 CC(=O)N(CCO)C1CC1 527a_100000738766_100103153847 [1,0,0,1,0,0|2,0,0]=4 1936 B10R1.290 CCCN(C(=O)C)C1CC1 11a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 1937 B10R1.290 CCCN(C(=O)C)C1CC1 1626a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 1938 B10R1.290 CCCN(C(=O)C)C1CC1 240690a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 1939 B10R1.290 CCCN(C(=O)C)C1CC1 527a_100000765834_100103153847 [1,0,0,1,0,0|2,0,0]=4 1940 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [1,0,0,1,0,0|1,0,0]=3 1941 B10R1.381 CNCC1(CCC1)C(=O)O 269956a_100000729485_200000210301 [1,0,0,1,0,0|1,0,0]=3 1942 B10R1.381 COCC1(CCC1)C(=O)C 1458a_100000728662_200000210301 [1,0,0,1,0,0|2,0,0]=4 1943 B10R1.381 COCC1(CCC1)C(=O)[13CH3] 1458a_100000728662_200025704644 [1,0,0,1,0,0|2,0,0]=4 1944 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [1,0,0,1,0,0|2,0,0]=4 1945 B10R1.381 [13CH3]NCC1(CCC1)C(=O)O 269956a_100000729485_200025704644 [1,0,0,1,0,0|1,0,0]=3 1946 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [1,0,0,1,0,0|1,0,1]=4 1947 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [1,0,0,1,0,0|1,0,1]=4 1948 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [1,0,0,1,0,0|1,0,1]=4 1949 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [1,0,0,1,0,0|1,0,1]=4 1950 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [1,0,0,1,0,0|1,0,1]=4 1951 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [1,0,0,1,0,0|1,0,1]=4 1952 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [1,0,0,1,0,0|2,0,0]=4 1953 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [1,0,0,1,0,0|1,0,1]=4 1954 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [1,0,0,1,0,0|1,0,1]=4 1955 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [1,0,0,1,0,0|1,0,1]=4 1956 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [1,0,0,1,0,0|1,0,1]=4 1957 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [1,0,0,1,0,0|2,0,0]=4 1958 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [1,0,0,1,0,0|1,0,1]=4 1959 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [1,0,0,1,0,0|2,0,0]=4 1960 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [1,0,0,1,0,0|2,0,0]=4 1961 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [1,0,0,1,0,0|1,0,1]=4 1962 B10R1.96 CCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000210202 [1,0,0,1,0,0|2,0,0]=4 1963 B10R1.96 CCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100000210202 [1,0,0,1,0,0|2,0,0]=4 1964 B10R1.433 OCCNC1(CCC1)CO 2230a_100016993734_100000211926 [1,0,0,1,0,0|1,0,1]=4 1965 B12R1.19 CC1CN(CCC1O)CC(=O)N 2230a_100011998114_100000747473 [0,0,0,1,0,1|2,0,0]=4 1966 B12R1.19 CC1CN(CCC1O)CC(=O)N 269982a_100011998114_100000187820 [0,0,0,1,0,1|2,0,0]=4 1967 B12R1.19 CC1CN(CCC1O)CC(=O)[O-] 269982a_100011998114_100020667443 [0,0,0,1,0,1|1,0,1]=4 1968 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,0,0,1,0,1|2,0,0]=4 1969 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,0,0,1,0,1|2,0,0]=4 1970 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,0,0,1,0,1|2,0,0]=4 1971 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,0,0,1,0,1|2,0,0]=4 1972 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,0,0,1,0,1|2,0,0]=4 1973 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,0,0,1,0,1|2,0,0]=4 1974 B12R1.321 O=C1CN(CCCN1)CCCO 2230a_100015190381_100000230001 [0,0,0,1,0,1|2,0,0]=4 1975 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,0,0,1,0,1|2,0,0]=4 1976 B12R1.386 NC(=O)[C@@H]1CCCN1CCCO 2230a_100000003125_100000230001 [0,0,0,1,0,1|2,0,0]=4 1977 B12R1.386 O=C(O)C1SCCN1CCCO 269956a_100000035718_100011215043 [0,0,0,1,0,1|2,0,0]=4 1978 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [0,0,0,1,0,1|2,0,0]=4 1979 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [0,0,0,1,0,1|1,0,0]=3 1980 B12R1.386 O=C(O)[C@@H]1CSCN1CCCO 269956a_100000743924_100011215043 [0,0,0,1,0,1|2,0,0]=4 1981 B12R1.438 CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210202 [0,0,0,1,0,1|2,0,0]=4 1982 B12R1.438 NC(=O)CN1CCCC(C1)CO 2230a_100000211344_100000747473 [0,0,0,1,0,1|2,0,0]=4 1983 B12R1.438 NC(=O)CN1CCCC(C1)CO 269982a_100000211344_100000187820 [0,0,0,1,0,1|2,0,0]=4 1984 B12R1.438 NC(=O)CN1CCCC(C1)CO 34a_100000211344_100000187820 [0,0,0,1,0,1|2,0,0]=4 1985 B12R1.438 O=C(O)CC1CCCN(C1)CF 269956a_100015207179_100015361967 [0,0,0,1,0,1|2,0,0]=4 1986 B12R1.438 O=C([O-])CN1CCCC(C1)CO 269982a_100000211344_100020667443 [0,0,0,1,0,1|1,0,1]=4 1987 B12R1.438 O=C([O-])CN1CCCC(C1)CO 34a_100000211344_100020667443 [0,0,0,1,0,1|1,0,1]=4 1988 B12R1.1020 NC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000747473 [0,0,0,1,0,1|2,0,0]=4 1989 B12R1.1020 NC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000187820 [0,0,0,1,0,1|2,0,0]=4 1990 B12R1.1020 O=C([O-])CN1CCCC(CC1)O 269982a_100015186869_100020667443 [0,0,0,1,0,1|1,0,1]=4 1991 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,0,0,1,0,1|2,0,0]=4 1992 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,0,0,1,0,1|2,0,0]=4 1993 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,0,0,1,0,1|2,0,0]=4 1994 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,0,0,1,0,1|2,0,0]=4 1995 B12R1.1531 O=C(O)CN(CCO)CC1CO1 269956a_100000747938_102125554688 [0,0,0,1,0,1|2,0,0]=4 1996 B12R1.1531 O=C(O)CN(CCO)C[C@@H]1CO1 269956a_100000747938_100000745022 [0,0,0,1,0,1|2,0,0]=4 1997 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [0,1,0,1,0,0|2,0,0]=4 1998 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [0,1,0,1,0,0|2,0,0]=4 1999 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,1,0,1,0,0|2,0,0]=4 2000 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,1,0,1,0,0|2,0,0]=4 2001 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [0,1,0,1,0,0|2,0,0]=4 2002 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [0,1,0,1,0,0|2,0,0]=4 2003 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,1,0,1,0,0|2,0,0]=4 2004 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,1,0,1,0,0|2,0,0]=4 2005 B12R1.18 O=C1NCCCCC1NCCO 2230a_100000698827_100000211926 [0,1,0,1,0,0|2,0,0]=4 2006 B12R1.18 O=C1NCCCCC1NCCO 2230a_100016997473_100000735217 [0,1,0,1,0,0|2,0,0]=4 2007 B12R1.18 O=C1NCCCCC1NCCO 34a_100000698827_100000211926 [0,1,0,1,0,0|2,0,0]=4 2008 B12R1.18 O=C1NCCCCC1SCCO 62a_100000211926_100000735217 [0,1,0,1,0,0|2,0,0]=4 2009 B12R1.18 O=C1NCCCCC1SCCO 62a_100000735217_100000211926 [0,1,0,1,0,0|2,0,0]=4 2010 B12R1.68 CC(=O)N1C[C@H]([C@@H](C1)CO)CO 240690a_200025772242_100015343762 [0,1,0,1,0,0|2,0,0]=4 2011 B12R1.68 CC(=O)N1C[C@H]([C@@H](C1)CO)CO 527a_200025772242_100103153847 [0,1,0,1,0,0|2,0,0]=4 2012 B12R1.626 CC(=O)N1CCOCC(C1)CO 240690a_100103147999_100015343762 [0,1,0,1,0,0|2,0,0]=4 2013 B12R1.626 CC(=O)N1CCOCC(C1)CO 527a_100103147999_100103153847 [0,1,0,1,0,0|2,0,0]=4 2014 B12R1.935 CCCCC(NC1CC1)C(=O)N 34a_100000212008_100000748834 [0,1,0,1,0,0|2,0,0]=4 2015 B12R1.935 CCCCC(SC1CC1)C(=O)N 62a_100000748834_100000211595 [0,1,0,1,0,0|2,0,0]=4 2016 B12R1.935 CCCC[C@H](NC1CC1)C(=O)N 34a_100000124899_100000211595 [0,1,0,1,0,0|2,0,0]=4 2017 B12R1.935 CSCC[C@H](NC1CC1)C(=O)O 269956a_100000743919_100000211595 [0,1,0,1,0,0|2,0,0]=4 2018 B12R1.935 C[Se]CC[C@H](NC1CC1)C(=O)O 269956a_100020619752_100000211595 [0,1,0,1,0,0|2,0,0]=4 2019 B12R1.1762 CCCCC(C(=O)N)N1CCC1 269982a_100000754969_100000748834 [0,1,0,1,0,0|2,0,0]=4 2020 B12R1.1762 CCCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210207 [0,1,0,1,0,0|1,0,0]=3 2021 B12R1.1762 COCNC(C(=O)O)C1CCC1 269956a_100000765838_100000766300 [0,1,0,1,0,0|2,0,0]=4 2022 B12R1.1762 CSCNC(C(=O)O)C1CCC1 269956a_100000765838_100011218213 [0,1,0,1,0,0|2,0,0]=4 2023 B12R1.1762 O=C(O)C(NCCF)C1CCC1 269956a_100000765838_100011217306 [0,1,0,1,0,0|2,0,0]=4 2024 B12R1.1762 O=C(O)C(NCCO)C1CCC1 269956a_100000765838_100000211926 [0,1,0,1,0,0|1,0,0]=3 2025 B12R1.2264 CCCNC1(CCCC1)C(=O)N 2230a_100000755618_100000210303 [0,1,0,1,0,0|2,0,0]=4 2026 B12R1.2264 CCCNC1(CCCC1)C(=O)N 34a_100000755618_100000210303 [0,1,0,1,0,0|2,0,0]=4 2027 B12R1.2264 CCCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210207 [0,1,0,1,0,0|1,0,0]=3 2028 B12R1.2264 CCNCC1(CCCC1)C(=O)O 269956a_100000695985_100000210202 [0,1,0,1,0,0|1,0,0]=3 2029 B12R1.2264 COCNC1(CCCC1)C(=O)O 269956a_100000739329_100000766300 [0,1,0,1,0,0|2,0,0]=4 2030 B12R1.2264 CSCNC1(CCCC1)C(=O)O 269956a_100000739329_100011218213 [0,1,0,1,0,0|2,0,0]=4 2031 B12R1.2264 NC(=O)C1(CCCC1)NCCO 2230a_100000755618_100000211926 [0,1,0,1,0,0|2,0,0]=4 2032 B12R1.2264 NC(=O)C1(CCCC1)NCCO 34a_100000755618_100000211926 [0,1,0,1,0,0|2,0,0]=4 2033 B12R1.2264 O=C(O)C1(CCCC1)CNCF 269956a_100000695985_100015361967 [0,1,0,1,0,0|2,0,0]=4 2034 B12R1.2264 O=C(O)C1(CCCC1)NCCF 269956a_100000739329_100011217306 [0,1,0,1,0,0|2,0,0]=4 2035 B12R1.2264 O=C(O)C1(CCCC1)NCCO 269956a_100000739329_100000211926 [0,1,0,1,0,0|1,0,0]=3 2036 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|2,0,0]=4 2037 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|2,0,0]=4 2038 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 2039 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|2,0,0]=4 2040 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 2041 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,1,0,1,0,0|2,0,0]=4 2042 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,1,0,1,0,0|2,0,0]=4 2043 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,1,0,1,0,0|2,0,0]=4 2044 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,1,0,1,0,0|2,0,0]=4 2045 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,1,0,1,0,0|2,0,0]=4 2046 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,1,0,1,0,0|2,0,0]=4 2047 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,1,0,1,0,0|2,0,0]=4 2048 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,1,0,1,0,0|2,0,0]=4 2049 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 2230a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 2050 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 269982a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 2051 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 34a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 2052 B12R1.291 COC(=O)C1CCCC1OCF 34a_200000081814_100015361967 [0,1,0,1,0,0|2,0,0]=4 2053 B12R1.291 COC(=O)C1CCCC1OCF 7a_200000081814_100015361967 [0,1,0,1,0,0|2,0,0]=4 2054 B12R1.291 COC(=O)C1CSCN1CCO 269982a_200000724679_100000211926 [0,1,0,1,0,0|2,0,0]=4 2055 B12R1.291 COC(=O)C1SCCN1CCO 2230a_100015296106_100000211926 [0,1,0,1,0,0|2,0,0]=4 2056 B12R1.291 COC(=O)C1SCCN1CCO 269982a_100015296106_100000211926 [0,1,0,1,0,0|2,0,0]=4 2057 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 2230a_100000752040_100011217306 [0,1,0,1,0,0|2,0,0]=4 2058 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 269982a_100000752040_100011217306 [0,1,0,1,0,0|2,0,0]=4 2059 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 2230a_100000752040_100000211926 [0,1,0,1,0,0|1,0,0]=3 2060 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 269982a_100000752040_100000211926 [0,1,0,1,0,0|1,0,0]=3 2061 B12R1.367 C=CC(=O)N1CCC(C(C1)C)O 240690a_100011998114_200121576911 [0,1,0,1,0,0|2,0,0]=4 2062 B12R1.367 CC1CN(CCC1O)C(=O)CO 240690a_100011998114_100000210174 [0,1,0,1,0,0|1,0,0]=3 2063 B12R1.367 CC1CN(CCC1O)C(=O)CO 527a_100011998114_100000210174 [0,1,0,1,0,0|1,0,0]=3 2064 B12R1.367 CCC(=O)N1CCC(C(C1)C)O 240690a_100011998114_100000210414 [0,1,0,1,0,0|2,0,0]=4 2065 B12R1.367 CCC(=O)N1CCC(C(C1)C)O 527a_100011998114_100000210414 [0,1,0,1,0,0|2,0,0]=4 2066 B12R1.367 CNC(=O)N1CCC(C(C1)C)O 2708a_100102657272_100011998114 [0,1,0,1,0,0|2,0,0]=4 2067 B12R1.367 CNC(=O)N1CCC(C(C1)C)O 273464a_100102657272_100011998114 [0,1,0,1,0,0|2,0,0]=4 2068 B12R1.367 COC(=O)C1CCC(N(C1)C)C 2230a_100020683642_200000210301 [0,1,0,1,0,0|2,0,0]=4 2069 B12R1.367 COC(=O)C1CCC(N(C1)C)C 269982a_100020683642_200000210301 [0,1,0,1,0,0|2,0,0]=4 2070 B12R1.367 COC(=O)C1CCC(N(C1)C)C 34a_100020683642_200000210301 [0,1,0,1,0,0|2,0,0]=4 2071 B12R1.367 COC(=O)C1CCC(N(C1)[13CH3])C 2230a_100020683642_200025704644 [0,1,0,1,0,0|2,0,0]=4 2072 B12R1.367 COC(=O)C1CCC(N(C1)[13CH3])C 269982a_100020683642_200025704644 [0,1,0,1,0,0|2,0,0]=4 2073 B12R1.367 COC(=O)C1CCC(N(C1)[13CH3])C 34a_100020683642_200025704644 [0,1,0,1,0,0|2,0,0]=4 2074 B12R1.367 O=C(CO)N1CC[C@H]([C@H](C1)F)O 240690a_200016994291_100000210174 [0,1,0,1,0,0|2,0,0]=4 2075 B12R1.367 O=C(CO)N1CC[C@H]([C@H](C1)F)O 527a_200016994291_100000210174 [0,1,0,1,0,0|2,0,0]=4 2076 B12R1.367 O=C(CO)N1CC[C@H]([C@H](C1)O)O 240690a_100000690696_100000210174 [0,1,0,1,0,0|2,0,0]=4 2077 B12R1.367 O=C(CO)N1CC[C@H]([C@H](C1)O)O 527a_100000690696_100000210174 [0,1,0,1,0,0|2,0,0]=4 2078 B12R1.435 C=CC(=O)N1CCCC(C1)CO 240690a_100000211344_200121576911 [0,1,0,1,0,0|2,0,0]=4 2079 B12R1.435 CCC(=O)N1CCCC(C1)CO 240690a_100000211344_100000210414 [0,1,0,1,0,0|2,0,0]=4 2080 B12R1.435 CCC(=O)N1CCCC(C1)CO 527a_100000211344_100000210414 [0,1,0,1,0,0|2,0,0]=4 2081 B12R1.435 CCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000210202 [0,1,0,1,0,0|2,0,0]=4 2082 B12R1.435 CCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000204670 [0,1,0,1,0,0|2,0,0]=4 2083 B12R1.435 CNC(=O)N1CCCC(C1)CO 2708a_100102657272_100000211344 [0,1,0,1,0,0|2,0,0]=4 2084 B12R1.435 CNC(=O)N1CCCC(C1)CO 273464a_100102657272_100000211344 [0,1,0,1,0,0|2,0,0]=4 2085 B12R1.435 COC(=O)C1CCCC(C1)OC 34a_100012184231_200000210301 [0,1,0,1,0,0|2,0,0]=4 2086 B12R1.435 COC(=O)C1CCCC(C1)OC 7a_100012184231_200000210301 [0,1,0,1,0,0|2,0,0]=4 2087 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 34a_100012184231_200025704644 [0,1,0,1,0,0|2,0,0]=4 2088 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 7a_100012184231_200025704644 [0,1,0,1,0,0|2,0,0]=4 2089 B12R1.435 COC(=O)[C@H]1CCCN(C1)CF 269982a_100016988859_100015361967 [0,1,0,1,0,0|2,0,0]=4 2090 B12R1.435 O=C(CO)N1CCCC(C1)CF 240690a_100016992999_100000210174 [0,1,0,1,0,0|2,0,0]=4 2091 B12R1.435 O=C(CO)N1CCCC(C1)CF 527a_100016992999_100000210174 [0,1,0,1,0,0|2,0,0]=4 2092 B12R1.435 O=C(CO)N1CCCC(C1)CO 240690a_100000211344_100000210174 [0,1,0,1,0,0|1,0,0]=3 2093 B12R1.435 O=C(CO)N1CCCC(C1)CO 527a_100000211344_100000210174 [0,1,0,1,0,0|1,0,0]=3 2094 B12R1.435 O=C(CO)N1CCO[C@@H](C1)CO 240690a_100015189573_100000210174 [0,1,0,1,0,0|2,0,0]=4 2095 B12R1.435 O=C(CO)N1CCO[C@@H](C1)CO 527a_100015189573_100000210174 [0,1,0,1,0,0|2,0,0]=4 2096 B12R1.690 CCCOC(C(=O)OC)C1CC1 34a_100000210258_100016157471 [0,1,0,1,0,0|2,0,0]=4 2097 B12R1.690 CCCSC(C(=O)OC)C1CC1 62a_100000210303_100016157471 [0,1,0,1,0,0|2,0,0]=4 2098 B12R1.690 CCCSC(C(=O)OC)C1CC1 62a_100016157471_100000210303 [0,1,0,1,0,0|2,0,0]=4 2099 B12R1.690 COC(=O)C(NCCF)C1CC1 34a_100000724931_100016157471 [0,1,0,1,0,0|2,0,0]=4 2100 B12R1.690 COC(=O)C(NCCO)C1CC1 2230a_100016997473_100016157471 [0,1,0,1,0,0|1,0,0]=3 2101 B12R1.690 COC(=O)C(NCCO)C1CC1 34a_100016990907_100016157471 [0,1,0,1,0,0|1,0,0]=3 2102 B12R1.690 COC(=O)C(OCCBr)C1CC1 34a_100000211926_100016157471 [0,1,0,1,0,0|2,0,0]=4 2103 B12R1.690 COC(=O)C(OCCN)C1CC1 34a_100000210304_100016157471 [0,1,0,1,0,0|2,0,0]=4 2104 B12R1.690 COC(=O)C(SCCF)C1CC1 62a_100011217306_100016157471 [0,1,0,1,0,0|2,0,0]=4 2105 B12R1.690 COC(=O)C(SCCF)C1CC1 62a_100016157471_100011217306 [0,1,0,1,0,0|2,0,0]=4 2106 B12R1.690 COC(=O)C(SCCO)C1CC1 62a_100000211926_100016157471 [0,1,0,1,0,0|1,0,0]=3 2107 B12R1.690 COC(=O)C(SCCO)C1CC1 62a_100016157471_100000211926 [0,1,0,1,0,0|1,0,0]=3 2108 B12R1.1435 CCCC(C(=O)OC)N1CCC1 269982a_100000754969_200009843822 [0,1,0,1,0,0|2,0,0]=4 2109 B12R1.1529 CCCC(NC1CC1)C(=O)OC 34a_100000212008_200009843822 [0,1,0,1,0,0|2,0,0]=4 2110 B12R1.1529 CCCC(SC1CC1)C(=O)OC 62a_200009843822_100000211595 [0,1,0,1,0,0|2,0,0]=4 2111 B12R1.1529 CCCN(CC1CC1)C(=O)CO 240690a_100000210729_100000210174 [0,1,0,1,0,0|2,0,0]=4 2112 B12R1.1529 CCCN(CC1CC1)C(=O)CO 527a_100000210729_100000210174 [0,1,0,1,0,0|2,0,0]=4 2113 B12R1.1529 CCO[C@H](CC1CC1)C(=O)OC 34a_100015422700_100000210202 [0,1,0,1,0,0|2,0,0]=4 2114 B12R1.1529 CCO[C@H](CC1CC1)C(=O)OC 7a_100015422700_100000210202 [0,1,0,1,0,0|2,0,0]=4 2115 B12R1.1658 C=CC(=O)N1CCCC(CC1)O 240690a_100015186869_200121576911 [0,1,0,1,0,0|2,0,0]=4 2116 B12R1.1658 CC1CCCN(CC1)C(=O)CO 240690a_100025706717_100000210174 [0,1,0,1,0,0|2,0,0]=4 2117 B12R1.1658 CC1CCCN(CC1)C(=O)CO 527a_100025706717_100000210174 [0,1,0,1,0,0|2,0,0]=4 2118 B12R1.1658 CCC(=O)N1CCCC(CC1)O 240690a_100015186869_100000210414 [0,1,0,1,0,0|2,0,0]=4 2119 B12R1.1658 CCC(=O)N1CCCC(CC1)O 527a_100015186869_100000210414 [0,1,0,1,0,0|2,0,0]=4 2120 B12R1.1658 CNC(=O)N1CCCC(CC1)O 2708a_100102657272_100015186869 [0,1,0,1,0,0|2,0,0]=4 2121 B12R1.1658 CNC(=O)N1CCCC(CC1)O 273464a_100102657272_100015186869 [0,1,0,1,0,0|2,0,0]=4 2122 B12R1.1658 O=C(CO)N1CCCC(CC1)O 240690a_100015186869_100000210174 [0,1,0,1,0,0|1,0,0]=3 2123 B12R1.1658 O=C(CO)N1CCCC(CC1)O 527a_100015186869_100000210174 [0,1,0,1,0,0|1,0,0]=3 2124 B12R1.1659 O=C(CO)C1CC/C=C\CCC1 1458a_100000210174_100021000466 [0,1,0,1,0,0|1,0,1]=4 2125 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,1,0,1,0,0|2,0,0]=4 2126 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,1,0,1,0,0|2,0,0]=4 2127 B12R1.1771 CCCOC1(CCC1)C(=O)OC 34a_100000210258_100000694912 [0,1,0,1,0,0|2,0,0]=4 2128 B12R1.1771 CCCOC1(CCC1)C(=O)OC 34a_100000702008_100000210303 [0,1,0,1,0,0|2,0,0]=4 2129 B12R1.1771 CCCOC1(CCC1)C(=O)OC 7a_100000702008_100000210303 [0,1,0,1,0,0|2,0,0]=4 2130 B12R1.1771 CCCSC1(CCC1)C(=O)OC 62a_100000210303_100000694912 [0,1,0,1,0,0|2,0,0]=4 2131 B12R1.1771 CCCSC1(CCC1)C(=O)OC 62a_100000694912_100000210303 [0,1,0,1,0,0|2,0,0]=4 2132 B12R1.1771 COC(=O)C1(CCC1)NCCF 34a_100000724931_100000694912 [0,1,0,1,0,0|2,0,0]=4 2133 B12R1.1771 COC(=O)C1(CCC1)NCCO 34a_100016990907_100000694912 [0,1,0,1,0,0|1,0,0]=3 2134 B12R1.1771 COC(=O)C1(CCC1)OCCBr 34a_100000211926_100000694912 [0,1,0,1,0,0|2,0,0]=4 2135 B12R1.1771 COC(=O)C1(CCC1)OCCF 34a_100000702008_100011217306 [0,1,0,1,0,0|2,0,0]=4 2136 B12R1.1771 COC(=O)C1(CCC1)OCCF 7a_100000702008_100011217306 [0,1,0,1,0,0|2,0,0]=4 2137 B12R1.1771 COC(=O)C1(CCC1)OCCN 34a_100000210304_100000694912 [0,1,0,1,0,0|2,0,0]=4 2138 B12R1.1771 COC(=O)C1(CCC1)OCCO 34a_100000702008_100000211926 [0,1,0,1,0,0|1,0,0]=3 2139 B12R1.1771 COC(=O)C1(CCC1)OCCO 7a_100000702008_100000211926 [0,1,0,1,0,0|1,0,0]=3 2140 B12R1.1771 COC(=O)C1(CCC1)SCCF 62a_100000694912_100011217306 [0,1,0,1,0,0|2,0,0]=4 2141 B12R1.1771 COC(=O)C1(CCC1)SCCF 62a_100011217306_100000694912 [0,1,0,1,0,0|2,0,0]=4 2142 B12R1.1771 COC(=O)C1(CCC1)SCCO 62a_100000211926_100000694912 [0,1,0,1,0,0|1,0,0]=3 2143 B12R1.1771 COC(=O)C1(CCC1)SCCO 62a_100000694912_100000211926 [0,1,0,1,0,0|1,0,0]=3 2144 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210207 [0,1,0,1,0,0|2,0,0]=4 2145 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210207 [0,1,0,1,0,0|2,0,0]=4 2146 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CCO)F 2230a_100020614896_100000211926 [0,1,0,1,0,0|2,0,0]=4 2147 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CCO)F 269982a_100020614896_100000211926 [0,1,0,1,0,0|2,0,0]=4 2148 B12R1.276 NC(=O)[C@@H]1C[C@@H](CN1CCO)F 34a_100020614896_100000211926 [0,1,0,1,0,0|2,0,0]=4 2149 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCO)O 2230a_100020587027_100000211926 [0,1,0,1,0,0|2,0,0]=4 2150 B12R1.276 NC(=O)[C@@H]1C[C@H](CN1CCO)O 269982a_100020587027_100000211926 [0,1,0,1,0,0|2,0,0]=4 2151 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)F 269956a_100016993324_100011217306 [0,1,0,1,0,0|2,0,0]=4 2152 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)O 269956a_100000750407_100011217306 [0,1,0,1,0,0|2,0,0]=4 2153 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)F 269956a_100016993324_100000211926 [0,1,0,1,0,0|1,0,0]=3 2154 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)O 269956a_100000750407_100000211926 [0,1,0,1,0,0|1,0,0]=3 2155 B12R1.295 CCN[C@H](C(=O)O)C1CCCC1 269956a_100012017156_100000210202 [0,1,0,1,0,0|2,0,0]=4 2156 B12R1.308 CN(CCO)C1CCCCC1=O 269982a_100000210263_100000204591 [0,1,0,1,0,0|2,0,0]=4 2157 B12R1.308 CN(CCO)C1CCCNC1=O 2230a_100000210263_100000687798 [0,1,0,1,0,0|2,0,0]=4 2158 B12R1.308 CN(CCO)C1CCCNC1=O 269982a_100000210263_100000687798 [0,1,0,1,0,0|2,0,0]=4 2159 B12R1.308 O=C(CCO)C1CCCCC1=O 1458a_100011216618_100000204591 [0,1,0,1,0,0|1,0,1]=4 2160 B12R1.308 O=C(CCO)C1CCCNC1=O 1458a_100000087122_100000211926 [0,1,0,1,0,0|1,0,1]=4 2161 B12R1.308 O=C(CCO)C1CCCNC1=O 1458a_100011216618_100000687798 [0,1,0,1,0,0|1,0,1]=4 2162 B12R1.313 CC1CC(C(=O)O1)C(=O)CCO 1458a_100011216618_200000216747 [0,1,0,1,0,0|0,0,1]=3 2163 B12R1.313 CC1CC(C(=O)O1)N(C)CCO 2230a_100000210263_200000216747 [0,1,0,1,0,0|1,0,0]=3 2164 B12R1.313 CC1CC(C(=O)O1)N(C)CCO 269982a_100000210263_200000216747 [0,1,0,1,0,0|1,0,0]=3 2165 B12R1.313 CCCC(=O)C1CC(OC1=O)C 1458a_100000211992_200000216747 [0,1,0,1,0,0|1,0,1]=4 2166 B12R1.313 CCCN(C)C1CC(OC1=O)C 2230a_100000747261_200000216747 [0,1,0,1,0,0|2,0,0]=4 2167 B12R1.313 CCCN(C)C1CC(OC1=O)C 269982a_100000747261_200000216747 [0,1,0,1,0,0|2,0,0]=4 2168 B12R1.1599 NC(=O)C1(CCC1)C(=O)CCO 1458a_100000751621_100000211926 [0,1,0,1,0,0|1,0,1]=4 2169 B12R1.2614 CCCC1(CCCN1C)C(=O)O 269956a_200015185366_200000210301 [0,1,0,1,0,0|1,0,0]=3 2170 B12R1.2614 CCCC1(CCCN1[13CH3])C(=O)O 269956a_200015185366_200025704644 [0,1,0,1,0,0|1,0,0]=3 2171 B12R1.87 CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210202 [0,1,0,1,0,0|2,0,0]=4 2172 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,1,0,1,0,0|2,0,0]=4 2173 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [0,1,0,1,0,0|2,0,0]=4 2174 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [0,1,0,1,0,0|2,0,0]=4 2175 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [0,1,0,1,0,0|2,0,0]=4 2176 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [0,1,0,1,0,0|2,0,0]=4 2177 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,1,0,1,0,0|2,0,0]=4 2178 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,1,0,1,0,0|2,0,0]=4 2179 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,1,0,1,0,0|2,0,0]=4 2180 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [0,1,0,1,0,0|2,0,0]=4 2181 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [0,1,0,1,0,0|2,0,0]=4 2182 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [0,1,0,1,0,0|2,0,0]=4 2183 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,1,0,1,0,0|2,0,0]=4 2184 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,1,0,1,0,0|2,0,0]=4 2185 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [0,1,0,1,0,0|2,0,0]=4 2186 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [0,1,0,1,0,0|2,0,0]=4 2187 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,1,0,1,0,0|2,0,0]=4 2188 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,1,0,1,0,0|2,0,0]=4 2189 B12R1.267 COCCNC1CCCNC1=O 2230a_100000209980_100000687798 [0,1,0,1,0,0|2,0,0]=4 2190 B12R1.267 COCCNC1CCCNC1=O 2230a_100000747585_100011201679 [0,1,0,1,0,0|2,0,0]=4 2191 B12R1.267 COCCNC1CCCNC1=O 34a_100000747585_100011201679 [0,1,0,1,0,0|2,0,0]=4 2192 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [0,1,0,1,0,0|2,0,0]=4 2193 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [0,1,0,1,0,0|2,0,0]=4 2194 B12R1.267 COCCOC1CCCNC1=O 34a_100000073722_100011201679 [0,1,0,1,0,0|2,0,0]=4 2195 B12R1.267 COCCOC1CCCNC1=O 34a_100000210237_100000687798 [0,1,0,1,0,0|2,0,0]=4 2196 B12R1.267 COCCSC1CCCCC1=O 62a_100000204591_100000233755 [0,1,0,1,0,0|2,0,0]=4 2197 B12R1.267 COCCSC1CCCCC1=O 62a_100000233755_100000204591 [0,1,0,1,0,0|2,0,0]=4 2198 B12R1.267 COCCSC1CCCNC1=O 62a_100000233755_100000687798 [0,1,0,1,0,0|2,0,0]=4 2199 B12R1.267 COCCSC1CCCNC1=O 62a_100000687798_100000233755 [0,1,0,1,0,0|2,0,0]=4 2200 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [0,1,0,1,0,0|2,0,0]=4 2201 B12R1.267 NCCCOC1CCCNC1=O 34a_100000182051_100000687798 [0,1,0,1,0,0|2,0,0]=4 2202 B12R1.267 NOCCOC1CCCCC1=O 34a_100000700252_100000754470 [0,1,0,1,0,0|2,0,0]=4 2203 B12R1.267 NOCCOC1CCCNC1=O 34a_100000700252_100000687798 [0,1,0,1,0,0|2,0,0]=4 2204 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [0,1,0,1,0,0|2,0,0]=4 2205 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [0,1,0,1,0,0|2,0,0]=4 2206 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [0,1,0,1,0,0|1,0,0]=3 2207 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [0,1,0,1,0,0|1,0,0]=3 2208 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [0,1,0,1,0,0|2,0,0]=4 2209 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [0,1,0,1,0,0|2,0,0]=4 2210 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [0,1,0,1,0,0|2,0,0]=4 2211 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [0,1,0,1,0,0|2,0,0]=4 2212 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [0,1,0,1,0,0|2,0,0]=4 2213 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,1,0,1,0,0|1,0,0]=3 2214 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [0,1,0,1,0,0|2,0,0]=4 2215 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [0,1,0,1,0,0|2,0,0]=4 2216 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [0,1,0,1,0,0|1,0,0]=3 2217 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [0,1,0,1,0,0|1,0,0]=3 2218 B12R1.267 O=C1CCOCC1SCCCO 62a_100011215043_100012180262 [0,1,0,1,0,0|2,0,0]=4 2219 B12R1.267 O=C1CCOCC1SCCCO 62a_100012180262_100011215043 [0,1,0,1,0,0|2,0,0]=4 2220 B12R1.267 O=C1NCCCC1NCCCF 2230a_100000747585_100011934791 [0,1,0,1,0,0|2,0,0]=4 2221 B12R1.267 O=C1NCCCC1NCCCF 2230a_100015189416_100000687798 [0,1,0,1,0,0|2,0,0]=4 2222 B12R1.267 O=C1NCCCC1NCCCF 34a_100000747585_100011934791 [0,1,0,1,0,0|2,0,0]=4 2223 B12R1.267 O=C1NCCCC1NCCCF 34a_100015189416_100000687798 [0,1,0,1,0,0|2,0,0]=4 2224 B12R1.267 O=C1NCCCC1NCCCO 2230a_100000747585_100000230001 [0,1,0,1,0,0|1,0,0]=3 2225 B12R1.267 O=C1NCCCC1NCCCO 34a_100000747585_100000230001 [0,1,0,1,0,0|1,0,0]=3 2226 B12R1.267 O=C1NCCCC1OCCCBr 34a_100011217188_100000687798 [0,1,0,1,0,0|2,0,0]=4 2227 B12R1.267 O=C1NCCCC1OCCCCl 34a_100000230001_100000687798 [0,1,0,1,0,0|2,0,0]=4 2228 B12R1.267 O=C1NCCCC1OCCCF 34a_100000073722_100011934791 [0,1,0,1,0,0|2,0,0]=4 2229 B12R1.267 O=C1NCCCC1OCCCF 34a_100000759539_100000687798 [0,1,0,1,0,0|2,0,0]=4 2230 B12R1.267 O=C1NCCCC1OCCCO 34a_100000073722_100000230001 [0,1,0,1,0,0|1,0,0]=3 2231 B12R1.267 O=C1NCCCC1SCCCF 62a_100000687798_100011934791 [0,1,0,1,0,0|2,0,0]=4 2232 B12R1.267 O=C1NCCCC1SCCCF 62a_100011934791_100000687798 [0,1,0,1,0,0|2,0,0]=4 2233 B12R1.267 O=C1NCCCC1SCCCO 62a_100000687798_100011215043 [0,1,0,1,0,0|1,0,0]=3 2234 B12R1.267 O=C1NCCCC1SCCCO 62a_100011215043_100000687798 [0,1,0,1,0,0|1,0,0]=3 2235 B12R1.267 OCCCSC1CCCCC1O 62a_100000038908_100011215043 [0,1,0,1,0,0|1,0,1]=4 2236 B12R1.267 OCCCSC1CCCCC1O 62a_100011215043_100000038908 [0,1,0,1,0,0|1,0,1]=4 2237 B12R1.267 OCCNCC1CCCCC1O 34a_100011216029_100000211926 [0,1,0,1,0,0|1,0,1]=4 2238 B12R1.279 CC(=O)N1CCCC(C1)CCO 240690a_100000752241_100015343762 [0,1,0,1,0,0|2,0,0]=4 2239 B12R1.279 CC(=O)N1CCCC(C1)CCO 527a_100000752241_100103153847 [0,1,0,1,0,0|2,0,0]=4 2240 B12R1.279 CC(=O)N1CCCC(C1)CO[13CH3] 34a_200000689997_200025704644 [0,1,0,1,0,0|2,0,0]=4 2241 B12R1.279 CC(=O)N1CCCC(C1)CO[13CH3] 7a_200000689997_200025704644 [0,1,0,1,0,0|2,0,0]=4 2242 B12R1.279 CC(O)C1CCCN(C1)CCO 2230a_100000740858_100000211926 [0,1,0,1,0,0|1,0,1]=4 2243 B12R1.279 CC(O)C1CCCN(C1)CCO 269982a_100000740858_100000211926 [0,1,0,1,0,0|1,0,1]=4 2244 B12R1.279 CC(O)C1CCCN(C1)CCO 34a_100000740858_100000211926 [0,1,0,1,0,0|1,0,1]=4 2245 B12R1.279 CCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210303 [0,1,0,1,0,0|2,0,0]=4 2246 B12R1.279 CCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210303 [0,1,0,1,0,0|2,0,0]=4 2247 B12R1.279 CCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210303 [0,1,0,1,0,0|2,0,0]=4 2248 B12R1.279 CCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210202 [0,1,0,1,0,0|2,0,0]=4 2249 B12R1.279 CCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210202 [0,1,0,1,0,0|2,0,0]=4 2250 B12R1.279 CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210202 [0,1,0,1,0,0|1,0,0]=3 2251 B12R1.279 COCC1CCCN(C1)C(=O)C 11a_100000755410_100015343762 [0,1,0,1,0,0|2,0,0]=4 2252 B12R1.279 COCC1CCCN(C1)C(=O)C 1626a_100000755410_100015343762 [0,1,0,1,0,0|2,0,0]=4 2253 B12R1.279 COCC1CCCN(C1)C(=O)C 240690a_100000755410_100015343762 [0,1,0,1,0,0|2,0,0]=4 2254 B12R1.279 COCC1CCCN(C1)C(=O)C 34a_200000689997_200000210301 [0,1,0,1,0,0|2,0,0]=4 2255 B12R1.279 COCC1CCCN(C1)C(=O)C 527a_100000755410_100103153847 [0,1,0,1,0,0|2,0,0]=4 2256 B12R1.279 COCC1CCCN(C1)C(=O)C 7a_200000689997_200000210301 [0,1,0,1,0,0|2,0,0]=4 2257 B12R1.279 COCN1CCCC(C1)C(=O)N 2230a_100000195536_100000766300 [0,1,0,1,0,0|2,0,0]=4 2258 B12R1.279 COCN1CCCC(C1)C(=O)N 269982a_100000195536_100000766300 [0,1,0,1,0,0|2,0,0]=4 2259 B12R1.279 NC(=O)C1CCCC(C1)NCF 34a_100000749473_100015361967 [0,1,0,1,0,0|2,0,0]=4 2260 B12R1.279 NC(=O)C1CCCN(C1)CCF 2230a_100000195536_100011217306 [0,1,0,1,0,0|2,0,0]=4 2261 B12R1.279 NC(=O)C1CCCN(C1)CCF 269982a_100000195536_100011217306 [0,1,0,1,0,0|2,0,0]=4 2262 B12R1.279 NC(=O)C1CCCN(C1)CCF 34a_100000195536_100011217306 [0,1,0,1,0,0|2,0,0]=4 2263 B12R1.279 NC(=O)C1CCCN(C1)CCO 2230a_100000195536_100000211926 [0,1,0,1,0,0|1,0,0]=3 2264 B12R1.279 NC(=O)C1CCCN(C1)CCO 269982a_100000195536_100000211926 [0,1,0,1,0,0|1,0,0]=3 2265 B12R1.279 NC(=O)C1CCCN(C1)CCO 34a_100000195536_100000211926 [0,1,0,1,0,0|1,0,0]=3 2266 B12R1.279 NC(=O)C1CN(CCO1)CCO 2230a_100000748043_100000211926 [0,1,0,1,0,0|2,0,0]=4 2267 B12R1.279 NC(=O)C1CN(CCO1)CCO 34a_100000748043_100000211926 [0,1,0,1,0,0|2,0,0]=4 2268 B12R1.279 O=C(O)C1CCCC(C1)NCF 269956a_100011216634_100015361967 [0,1,0,1,0,0|1,0,0]=3 2269 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,1,0,1,0,0|2,0,0]=4 2270 B12R1.456 C#CCCNC1CC(OC1=O)C 34a_100000755551_200000216747 [0,1,0,1,0,0|1,0,1]=4 2271 B12R1.456 C#CCCOC1CC(OC1=O)C 34a_100011215631_200000216747 [0,1,0,1,0,0|1,0,1]=4 2272 B12R1.456 C#CCCSC1CC(OC1=O)C 62a_100000688953_200000216747 [0,1,0,1,0,0|1,0,1]=4 2273 B12R1.456 C#CCCSC1CC(OC1=O)C 62a_200000216747_100000688953 [0,1,0,1,0,0|1,0,1]=4 2274 B12R1.456 C=CCCNC1CC(OC1=O)C 2230a_100015191253_200000216747 [0,1,0,1,0,0|1,0,1]=4 2275 B12R1.456 C=CCCOC1CC(OC1=O)C 34a_100011205117_200000216747 [0,1,0,1,0,0|1,0,1]=4 2276 B12R1.456 C=CCCSC1CC(OC1=O)C 62a_100000754431_200000216747 [0,1,0,1,0,0|1,0,1]=4 2277 B12R1.456 C=CCCSC1CC(OC1=O)C 62a_200000216747_100000754431 [0,1,0,1,0,0|1,0,1]=4 2278 B12R1.456 CC1CC(C(=O)O1)NCCCF 2230a_100015189416_200000216747 [0,1,0,1,0,0|1,0,0]=3 2279 B12R1.456 CC1CC(C(=O)O1)NCCCF 34a_100015189416_200000216747 [0,1,0,1,0,0|1,0,0]=3 2280 B12R1.456 CC1CC(C(=O)O1)OCCCBr 34a_100011217188_200000216747 [0,1,0,1,0,0|1,0,0]=3 2281 B12R1.456 CC1CC(C(=O)O1)OCCCCl 34a_100000230001_200000216747 [0,1,0,1,0,0|1,0,0]=3 2282 B12R1.456 CC1CC(C(=O)O1)OCCCF 34a_100000759539_200000216747 [0,1,0,1,0,0|1,0,0]=3 2283 B12R1.456 CC1CC(C(=O)O1)OCCCN 34a_100000182051_200000216747 [0,1,0,1,0,0|1,0,0]=3 2284 B12R1.456 CC1CC(C(=O)O1)OCCON 34a_100000700252_200000216747 [0,1,0,1,0,0|1,0,0]=3 2285 B12R1.456 CC1CC(C(=O)O1)SCCC#N 62a_100011215226_200000216747 [0,1,0,1,0,0|1,0,1]=4 2286 B12R1.456 CC1CC(C(=O)O1)SCCC#N 62a_200000216747_100011215226 [0,1,0,1,0,0|1,0,1]=4 2287 B12R1.456 CC1CC(C(=O)O1)SCCCF 62a_100011934791_200000216747 [0,1,0,1,0,0|1,0,0]=3 2288 B12R1.456 CC1CC(C(=O)O1)SCCCF 62a_200000216747_100011934791 [0,1,0,1,0,0|1,0,0]=3 2289 B12R1.456 CC1CC(C(=O)O1)SCCCO 62a_100011215043_200000216747 [0,1,0,1,0,0|0,0,0]=2 2290 B12R1.456 CC1CC(C(=O)O1)SCCCO 62a_200000216747_100011215043 [0,1,0,1,0,0|0,0,0]=2 2291 B12R1.456 CCCCNC1CC(OC1=O)C 2230a_100000102301_200000216747 [0,1,0,1,0,0|1,0,0]=3 2292 B12R1.456 CCCCNC1CC(OC1=O)C 7a_106832991798_200000216747 [0,1,0,1,0,0|1,0,0]=3 2293 B12R1.456 CCCCOC1CC(OC1=O)C 34a_100000210227_200000216747 [0,1,0,1,0,0|1,0,0]=3 2294 B12R1.456 CCCCOC1CC(OC1=O)C 7a_100000210227_200000216747 [0,1,0,1,0,0|1,0,0]=3 2295 B12R1.456 CCCCSC1CC(OC1=O)C 62a_100000210211_200000216747 [0,1,0,1,0,0|1,0,0]=3 2296 B12R1.456 CCCCSC1CC(OC1=O)C 62a_200000216747_100000210210 [0,1,0,1,0,0|1,0,0]=3 2297 B12R1.456 CCOCSC1CC(OC1=O)C 62a_100000739092_200000216747 [0,1,0,1,0,0|2,0,0]=4 2298 B12R1.456 CCOCSC1CC(OC1=O)C 62a_200000216747_100000739092 [0,1,0,1,0,0|2,0,0]=4 2299 B12R1.456 COCCNC1CC(OC1=O)C 2230a_100000209980_200000216747 [0,1,0,1,0,0|1,0,0]=3 2300 B12R1.456 COCCOC1CC(OC1=O)C 34a_100000210237_200000216747 [0,1,0,1,0,0|1,0,0]=3 2301 B12R1.456 COCCSC1CC(OC1=O)C 62a_100000233755_200000216747 [0,1,0,1,0,0|1,0,0]=3 2302 B12R1.456 COCCSC1CC(OC1=O)C 62a_200000216747_100000233755 [0,1,0,1,0,0|1,0,0]=3 2303 B12R1.456 CSCCNC1CC(OC1=O)C 2230a_100020590264_200000216747 [0,1,0,1,0,0|1,1,0]=4 2304 B12R1.456 CSCCOC1CC(OC1=O)C 34a_100000230434_200000216747 [0,1,0,1,0,0|1,1,0]=4 2305 B12R1.456 CSCCOC1CC(OC1=O)C 7a_100000230434_200000216747 [0,1,0,1,0,0|1,1,0]=4 2306 B12R1.456 CSCCSC1CC(OC1=O)C 62a_100000212216_200000216747 [0,1,0,1,0,0|1,1,0]=4 2307 B12R1.456 CSCCSC1CC(OC1=O)C 62a_200000216747_100000751147 [0,1,0,1,0,0|1,1,0]=4 2308 B12R1.459 C[C@]1(CCC[C@H]1NCCCO)O 2230a_100015977457_100000230001 [0,1,0,1,0,0|1,0,1]=4 2309 B12R1.459 C[C@]1(CCC[C@H]1NCCCO)O 34a_100015977457_100000230001 [0,1,0,1,0,0|1,0,1]=4 2310 B12R1.622 CCC1SCC(N1CC)C(=O)O 269956a_200025741920_100000210202 [0,1,0,1,0,0|2,0,0]=4 2311 B12R1.1506 CCCC(OC1CCC1)C(=O)N 34a_100011626294_100000749161 [0,1,0,1,0,0|2,0,0]=4 2312 B12R1.1506 CCCC(OC1COC1)C(=O)N 34a_100011626294_100009818527 [0,1,0,1,0,0|2,0,0]=4 2313 B12R1.1506 CCCC(OC1COC1)C(=O)N 7a_100011626294_100009818527 [0,1,0,1,0,0|2,0,0]=4 2314 B12R1.1506 CCC[C@H](NC1CCC1)C(=O)N 34a_100000729256_100000749161 [0,1,0,1,0,0|2,0,0]=4 2315 B12R1.1506 CCC[C@H](NC1CCC1)C(=O)O 269956a_100000750406_100000749161 [0,1,0,1,0,0|1,0,0]=3 2316 B12R1.1506 CCC[C@H](NC1COC1)C(=O)N 34a_100000729256_100009818527 [0,1,0,1,0,0|2,0,0]=4 2317 B12R1.1506 CCC[C@H](NC1COC1)C(=O)O 269956a_100000750406_100009818527 [0,1,0,1,0,0|1,0,0]=3 2318 B12R1.1506 COC[C@@H](NC1CCC1)C(=O)O 269956a_100011998655_100000749161 [0,1,0,1,0,0|2,0,0]=4 2319 B12R1.1506 COC[C@@H](NC1COC1)C(=O)O 269956a_100011998655_100009818527 [0,1,0,1,0,0|2,0,0]=4 2320 B12R1.1506 CSC[C@H](NC1CCC1)C(=O)O 269956a_100011421858_100000749161 [0,1,0,1,0,0|2,0,0]=4 2321 B12R1.1506 CSC[C@H](NC1COC1)C(=O)O 269956a_100011421858_100009818527 [0,1,0,1,0,0|2,0,0]=4 2322 B12R1.1506 C[Se]C[C@H](NC1CCC1)C(=O)O 269956a_100015254316_100000749161 [0,1,0,1,0,0|2,0,0]=4 2323 B12R1.1506 C[Se]C[C@H](NC1COC1)C(=O)O 269956a_100015254316_100009818527 [0,1,0,1,0,0|2,0,0]=4 2324 B12R1.1507 CCCC(OCC1CC1)C(=O)N 34a_100011626294_100000742324 [0,1,0,1,0,0|2,0,0]=4 2325 B12R1.1507 CCCC(OCC1CC1)C(=O)N 7a_100011626294_100000742324 [0,1,0,1,0,0|2,0,0]=4 2326 B12R1.1507 CCCC(OCC1CO1)C(=O)N 34a_100011626294_102125554688 [0,1,0,1,0,0|1,0,0]=3 2327 B12R1.1507 CCCC(OCC1CO1)C(=O)N 7a_100011626294_102125554688 [0,1,0,1,0,0|1,0,0]=3 2328 B12R1.1507 CCCC(OCC1CS1)C(=O)N 7a_100011626294_100000031435 [0,1,0,1,0,0|1,1,0]=4 2329 B12R1.1507 CCCC(OC[C@@H]1CO1)C(=O)N 7a_100011626294_100000745022 [0,1,0,1,0,0|1,0,0]=3 2330 B12R1.1507 CCC[C@H](NCC1CC1)C(=O)N 2230a_100000729256_100000742324 [0,1,0,1,0,0|2,0,0]=4 2331 B12R1.1507 CCC[C@H](NCC1CC1)C(=O)N 34a_100000729256_100000742324 [0,1,0,1,0,0|2,0,0]=4 2332 B12R1.1507 CCC[C@H](NCC1CC1)C(=O)O 269956a_100000750406_100000742324 [0,1,0,1,0,0|1,0,0]=3 2333 B12R1.1507 CCC[C@H](NCC1CO1)C(=O)N 2230a_100000729256_100011216344 [0,1,0,1,0,0|1,0,0]=3 2334 B12R1.1507 CCC[C@H](NCC1CO1)C(=O)N 34a_100000729256_102125554688 [0,1,0,1,0,0|1,0,0]=3 2335 B12R1.1507 CCC[C@H](NCC1CO1)C(=O)O 269956a_100000750406_102125554688 [0,1,0,1,0,0|0,0,0]=2 2336 B12R1.1507 CCC[C@H](NCC1CS1)C(=O)O 269956a_100000750406_100000031435 [0,1,0,1,0,0|0,1,0]=3 2337 B12R1.1507 CCC[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000750406_100000745022 [0,1,0,1,0,0|0,0,0]=2 2338 B12R1.1507 COC[C@@H](NCC1CC1)C(=O)O 269956a_100011998655_100000742324 [0,1,0,1,0,0|2,0,0]=4 2339 B12R1.1507 COC[C@@H](NCC1CO1)C(=O)O 269956a_100011998655_102125554688 [0,1,0,1,0,0|1,0,0]=3 2340 B12R1.1507 COC[C@@H](NCC1CS1)C(=O)O 269956a_100011998655_100000031435 [0,1,0,1,0,0|1,1,0]=4 2341 B12R1.1507 COC[C@@H](NC[C@@H]1CO1)C(=O)O 269956a_100011998655_100000745022 [0,1,0,1,0,0|1,0,0]=3 2342 B12R1.1507 CSC[C@H](NCC1CC1)C(=O)O 269956a_100011421858_100000742324 [0,1,0,1,0,0|2,0,0]=4 2343 B12R1.1507 CSC[C@H](NCC1CO1)C(=O)O 269956a_100011421858_102125554688 [0,1,0,1,0,0|1,0,0]=3 2344 B12R1.1507 CSC[C@H](NCC1CS1)C(=O)O 269956a_100011421858_100000031435 [0,1,0,1,0,0|1,1,0]=4 2345 B12R1.1507 CSC[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100011421858_100000745022 [0,1,0,1,0,0|1,0,0]=3 2346 B12R1.1507 C[Se]C[C@H](NCC1CC1)C(=O)O 269956a_100015254316_100000742324 [0,1,0,1,0,0|2,0,0]=4 2347 B12R1.1507 C[Se]C[C@H](NCC1CO1)C(=O)O 269956a_100015254316_102125554688 [0,1,0,1,0,0|1,0,0]=3 2348 B12R1.1507 C[Se]C[C@H](NCC1CS1)C(=O)O 269956a_100015254316_100000031435 [0,1,0,1,0,0|1,1,0]=4 2349 B12R1.1507 C[Se]C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100015254316_100000745022 [0,1,0,1,0,0|1,0,0]=3 2350 B12R1.1891 CCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210202 [0,1,0,1,0,0|1,0,0]=3 2351 B12R1.1891 COC1CCCN(CC1)C(=O)C 11a_100016993962_100015343762 [0,1,0,1,0,0|2,0,0]=4 2352 B12R1.1891 COC1CCCN(CC1)C(=O)C 1626a_100016993962_100015343762 [0,1,0,1,0,0|2,0,0]=4 2353 B12R1.1891 COC1CCCN(CC1)C(=O)C 240690a_100016993962_100015343762 [0,1,0,1,0,0|2,0,0]=4 2354 B12R1.1891 COC1CCCN(CC1)C(=O)C 527a_100016993962_100103153847 [0,1,0,1,0,0|2,0,0]=4 2355 B12R1.1891 O=C(O)C1CCCN(CC1)CF 269956a_100000134118_100015361967 [0,1,0,1,0,0|1,0,0]=3 2356 B12R1.2002 C#CCCNC1(CCC1)C(=O)O 269956a_100000688724_100000688953 [0,1,0,1,0,0|1,0,1]=4 2357 B12R1.2002 C#CCNCC1(CCC1)C(=O)O 269956a_100000729485_100000184674 [0,1,0,1,0,0|1,0,1]=4 2358 B12R1.2002 C=CCCNC1(CCC1)C(=O)O 269956a_100000688724_100000754431 [0,1,0,1,0,0|1,0,1]=4 2359 B12R1.2002 C=CCNCC1(CCC1)C(=O)O 269956a_100000729485_100000210623 [0,1,0,1,0,0|1,0,1]=4 2360 B12R1.2002 CCCCNC1(CCC1)C(=O)O 269956a_100000688724_100000210211 [0,1,0,1,0,0|1,0,0]=3 2361 B12R1.2002 CCCNCC1(CCC1)C(=O)O 269956a_100000729485_100000210207 [0,1,0,1,0,0|1,0,0]=3 2362 B12R1.2002 CCOCNC1(CCC1)C(=O)O 269956a_100000688724_100000739092 [0,1,0,1,0,0|2,0,0]=4 2363 B12R1.2002 COCCNC1(CCC1)C(=O)O 269956a_100000688724_100000233755 [0,1,0,1,0,0|1,0,0]=3 2364 B12R1.2002 COCNCC1(CCC1)C(=O)O 269956a_100000729485_100000766300 [0,1,0,1,0,0|1,0,0]=3 2365 B12R1.2002 CSCCNC1(CCC1)C(=O)O 269956a_100000688724_100000212216 [0,1,0,1,0,0|1,1,0]=4 2366 B12R1.2002 CSCNCC1(CCC1)C(=O)O 269956a_100000729485_100011218213 [0,1,0,1,0,0|1,1,0]=4 2367 B12R1.2002 N#CCCNC1(CCC1)C(=O)O 269956a_100000688724_100011215226 [0,1,0,1,0,0|1,0,1]=4 2368 B12R1.2002 N#CCNCC1(CCC1)C(=O)O 269956a_100000729485_100011215382 [0,1,0,1,0,0|1,0,1]=4 2369 B12R1.2002 O=C(O)C1(CCC1)CNCCF 269956a_100000729485_100011217306 [0,1,0,1,0,0|1,0,0]=3 2370 B12R1.2002 O=C(O)C1(CCC1)CNCCO 269956a_100000729485_100000211926 [0,1,0,1,0,0|0,0,0]=2 2371 B12R1.2002 O=C(O)C1(CCC1)NCCCF 269956a_100000688724_100011934791 [0,1,0,1,0,0|1,0,0]=3 2372 B12R1.2002 O=C(O)C1(CCC1)NCCCO 269956a_100000688724_100011215043 [0,1,0,1,0,0|0,0,0]=2 2373 B12R1.2002 O=CCNCC1(CCC1)C(=O)O 269956a_100000729485_200015260668 [0,1,0,1,0,0|0,0,2]=4 2374 B12R1.2627 CCNC1(CCCCC1)C(=O)O 269956a_100000185090_100000210202 [0,1,0,1,0,0|2,0,0]=4 2375 B12R1.2627 CCNC1(CCOCC1)C(=O)O 269956a_100015194771_100000210202 [0,1,0,1,0,0|2,0,0]=4 2376 B12R1.2627 CNCC1(CCCCC1)C(=O)O 269956a_100134617335_200000210301 [0,1,0,1,0,0|2,0,0]=4 2377 B12R1.2627 [13CH3]NCC1(CCCCC1)C(=O)O 269956a_100134617335_200025704644 [0,1,0,1,0,0|2,0,0]=4 2378 B12R1.57 CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210202 [0,1,0,1,0,0|1,0,0]=3 2379 B12R1.57 O=C(O)C1CCC(CN1CF)O 269956a_100000089875_100015361967 [0,1,0,1,0,0|2,0,0]=4 2380 B12R1.125 CC(O)CNC1CCCCC1=O 34a_100000210904_100000754470 [0,1,0,1,0,0|2,0,0]=4 2381 B12R1.125 CC(O)CNC1CCCNC1=O 2230a_100000210904_100000687798 [0,1,0,1,0,0|2,0,0]=4 2382 B12R1.125 CC(O)CNC1CCCNC1=O 2230a_100000747585_100011218427 [0,1,0,1,0,0|2,0,0]=4 2383 B12R1.125 CC(O)CNC1CCCNC1=O 34a_100000210904_100000687798 [0,1,0,1,0,0|2,0,0]=4 2384 B12R1.125 CC(O)CNC1CCCNC1=O 34a_100000747585_100011218427 [0,1,0,1,0,0|2,0,0]=4 2385 B12R1.125 CC(O)COC1CCCCC1=O 34a_100011214950_100011218427 [0,1,0,1,0,0|2,0,0]=4 2386 B12R1.125 CC(O)COC1CCCNC1=O 34a_100000073722_100011218427 [0,1,0,1,0,0|2,0,0]=4 2387 B12R1.125 CC(O)CSC1CCCCC1=O 62a_100000204591_100011218427 [0,1,0,1,0,0|2,0,0]=4 2388 B12R1.125 CC(O)CSC1CCCCC1=O 62a_100011218427_100000204591 [0,1,0,1,0,0|2,0,0]=4 2389 B12R1.125 CC(O)CSC1CCCNC1=O 62a_100000687798_100011218427 [0,1,0,1,0,0|2,0,0]=4 2390 B12R1.125 CC(O)CSC1CCCNC1=O 62a_100011218427_100000687798 [0,1,0,1,0,0|2,0,0]=4 2391 B12R1.125 C[C@@H](O)CNC1CCCNC1=O 2230a_100000747585_100009817552 [0,1,0,1,0,0|2,0,0]=4 2392 B12R1.125 C[C@@H](O)CNC1CCCNC1=O 34a_100000747585_100009817552 [0,1,0,1,0,0|2,0,0]=4 2393 B12R1.125 C[C@@H](O)COC1CCCCC1=O 34a_100011214950_100009817552 [0,1,0,1,0,0|2,0,0]=4 2394 B12R1.125 C[C@@H](O)COC1CCCNC1=O 34a_100000073722_100009817552 [0,1,0,1,0,0|2,0,0]=4 2395 B12R1.125 C[C@@H](O)CSC1CCCCC1=O 62a_100000204591_100009817552 [0,1,0,1,0,0|2,0,0]=4 2396 B12R1.125 C[C@@H](O)CSC1CCCCC1=O 62a_100009817552_100000204591 [0,1,0,1,0,0|2,0,0]=4 2397 B12R1.125 C[C@@H](O)CSC1CCCNC1=O 62a_100000687798_100009817552 [0,1,0,1,0,0|2,0,0]=4 2398 B12R1.125 C[C@@H](O)CSC1CCCNC1=O 62a_100009817552_100000687798 [0,1,0,1,0,0|2,0,0]=4 2399 B12R1.258 CC(=O)N1CCCC(C1)C(C)O 240690a_100000740858_100015343762 [0,1,0,1,0,0|2,0,0]=4 2400 B12R1.258 CC(=O)N1CCCC(C1)C(C)O 527a_100000740858_100103153847 [0,1,0,1,0,0|2,0,0]=4 2401 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [0,1,0,1,0,0|2,0,0]=4 2402 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218427 [0,1,0,1,0,0|2,0,0]=4 2403 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [0,1,0,1,0,0|1,0,0]=3 2404 B12R1.392 CC(O)CN1CCSC1C(=O)O 269956a_100000035718_100011218427 [0,1,0,1,0,0|2,0,0]=4 2405 B12R1.392 CC(O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218427 [0,1,0,1,0,0|2,0,0]=4 2406 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100009817552 [0,1,0,1,0,0|2,0,0]=4 2407 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [0,1,0,1,0,0|1,0,0]=3 2408 B12R1.392 C[C@@H](O)CN1CCSC1C(=O)O 269956a_100000035718_100009817552 [0,1,0,1,0,0|2,0,0]=4 2409 B12R1.392 C[C@@H](O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100009817552 [0,1,0,1,0,0|2,0,0]=4 2410 B12R1.392 O=C(O)[C@@H]1CCCN1CC(F)F 269956a_100000743916_100011934356 [0,1,0,1,0,0|2,0,0]=4 2411 B12R1.861 CC(Br)COC1CC(OC1=O)C 34a_100012180447_200000216747 [0,1,0,1,0,0|2,0,0]=4 2412 B12R1.861 CC(C)CNC1CC(OC1=O)C 2230a_100000210953_200000216747 [0,1,0,1,0,0|2,0,0]=4 2413 B12R1.861 CC(C)CNC1CC(OC1=O)C 34a_100000210953_200000216747 [0,1,0,1,0,0|2,0,0]=4 2414 B12R1.861 CC(C)COC1CC(OC1=O)C 34a_100000210257_200000216747 [0,1,0,1,0,0|2,0,0]=4 2415 B12R1.861 CC(C)CSC1CC(OC1=O)C 62a_100000210624_200000216747 [0,1,0,1,0,0|2,0,0]=4 2416 B12R1.861 CC(C)CSC1CC(OC1=O)C 62a_200000216747_100000210760 [0,1,0,1,0,0|2,0,0]=4 2417 B12R1.861 CC(F)COC1CC(OC1=O)C 34a_100015925927_200000216747 [0,1,0,1,0,0|2,0,0]=4 2418 B12R1.861 CC(O)CNC1CC(OC1=O)C 2230a_100000210904_200000216747 [0,1,0,1,0,0|1,0,0]=3 2419 B12R1.861 CC(O)CNC1CC(OC1=O)C 34a_100000210904_200000216747 [0,1,0,1,0,0|1,0,0]=3 2420 B12R1.861 CC(O)CSC1CC(OC1=O)C 62a_100011218427_200000216747 [0,1,0,1,0,0|1,0,0]=3 2421 B12R1.861 CC(O)CSC1CC(OC1=O)C 62a_200000216747_100011218427 [0,1,0,1,0,0|1,0,0]=3 2422 B12R1.861 CC1CC(C(=O)O1)NCC(F)F 34a_100000765723_200000216747 [0,1,0,1,0,0|2,0,0]=4 2423 B12R1.861 CC1CC(C(=O)O1)OCC(F)F 34a_100000743014_200000216747 [0,1,0,1,0,0|2,0,0]=4 2424 B12R1.861 CC1CC(C(=O)O1)OC[C@@H](C)Cl 34a_100016084084_200000216747 [0,1,0,1,0,0|2,0,0]=4 2425 B12R1.861 CC1CC(C(=O)O1)OC[C@@H](C)N 34a_100000737577_200000216747 [0,1,0,1,0,0|2,0,0]=4 2426 B12R1.861 CC1CC(C(=O)O1)SCC(F)F 62a_100011934356_200000216747 [0,1,0,1,0,0|2,0,0]=4 2427 B12R1.861 CC1CC(C(=O)O1)SCC(F)F 62a_200000216747_100011934356 [0,1,0,1,0,0|2,0,0]=4 2428 B12R1.861 CC1CC(C(=O)O1)SC[C@@H](C)O 62a_100009817552_200000216747 [0,1,0,1,0,0|1,0,0]=3 2429 B12R1.861 CC1CC(C(=O)O1)SC[C@@H](C)O 62a_200000216747_100009817552 [0,1,0,1,0,0|1,0,0]=3 2430 B12R1.2796 CC(C)CNC1(CCC1)C(=O)O 269956a_100000688724_100000210760 [0,1,0,1,0,0|2,0,0]=4 2431 B12R1.2796 CC(C)NCC1(CCC1)C(=O)O 269956a_100000729485_100000210206 [0,1,0,1,0,0|2,0,0]=4 2432 B12R1.2796 CC(O)CNC1(CCC1)C(=O)O 269956a_100000688724_100011218427 [0,1,0,1,0,0|1,0,0]=3 2433 B12R1.2796 C[C@@H](O)CNC1(CCC1)C(=O)O 269956a_100000688724_100009817552 [0,1,0,1,0,0|1,0,0]=3 2434 B12R1.2796 O=C(O)C1(CCC1)NCC(F)F 269956a_100000688724_100011934356 [0,1,0,1,0,0|2,0,0]=4 2435 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 11a_100000723723_100015343762 [0,1,0,1,0,0|2,0,0]=4 2436 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 1626a_100000723723_100015343762 [0,1,0,1,0,0|2,0,0]=4 2437 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 240690a_100000723723_100015343762 [0,1,0,1,0,0|2,0,0]=4 2438 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 527a_100000723723_100103153847 [0,1,0,1,0,0|2,0,0]=4 2439 B12R1.11 CC(=O)N1CC(CC(C1)CO)C 240690a_200012821172_100015343762 [0,1,0,1,0,0|2,0,0]=4 2440 B12R1.11 CC(=O)N1CC(CC(C1)CO)C 527a_200012821172_100103153847 [0,1,0,1,0,0|2,0,0]=4 2441 B12R1.22 CC(=O)N1CCC(C(C1)(C)C)O 11a_100000709803_100015343762 [0,1,0,1,0,0|2,0,0]=4 2442 B12R1.22 CC(=O)N1CCC(C(C1)(C)C)O 1626a_100000709803_100015343762 [0,1,0,1,0,0|2,0,0]=4 2443 B12R1.22 CC(=O)N1CCC(C(C1)(C)C)O 240690a_100000709803_100015343762 [0,1,0,1,0,0|2,0,0]=4 2444 B12R1.22 CC(=O)N1CCC(C(C1)(C)C)O 527a_100000709803_100103153847 [0,1,0,1,0,0|2,0,0]=4 2445 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [0,1,0,1,0,0|2,0,0]=4 2446 B12R1.1813 CC(C)NC(C(=O)O)C1CCC1 269956a_100000765838_100000210206 [0,1,0,1,0,0|2,0,0]=4 2447 B12R1.3171 CC(C)NC1(CCCC1)C(=O)O 269956a_100000739329_100000210206 [0,1,0,1,0,0|2,0,0]=4 2448 B12R1.3432 CC[C@H](C)[C@@H](NC1CC1)C(=O)O 269956a_100009815163_100000211595 [0,1,0,1,0,0|2,0,0]=4 2449 B12R1.3444 CCN(C)C1(CCCC1)C(=O)O 269956a_106744497834_100000210202 [0,1,0,1,0,0|2,0,0]=4 2450 B12R1.661 CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210202 [0,1,0,1,0,0|2,0,0]=4 2451 B12R1.1500 CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210207 [0,1,0,1,0,0|2,0,0]=4 2452 B12R1.1500 C[C@]1(CCCN1CCF)C(=O)O 269956a_100009816582_100011217306 [0,1,0,1,0,0|2,0,0]=4 2453 B12R1.1500 C[C@]1(CCCN1CCO)C(=O)O 269956a_100009816582_100000211926 [0,1,0,1,0,0|1,0,0]=3 2454 B12R1.46 CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210202 [0,1,0,1,0,0|2,0,0]=4 2455 B12R1.368 CC(CO)N1CCC[C@H]1C(=O)N 2230a_100000003125_100012180447 [0,1,0,1,0,0|2,0,0]=4 2456 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000758301 [0,1,0,1,0,0|2,0,0]=4 2457 B12R1.368 C[C@H](CO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100016084084 [0,1,0,1,0,0|1,0,0]=3 2458 B12R1.368 C[C@H](CO)N1CCSC1C(=O)O 269956a_100000035718_100016084084 [0,1,0,1,0,0|2,0,0]=4 2459 B12R1.368 C[C@H](CO)N1CSC[C@H]1C(=O)O 269956a_100000743924_100016084084 [0,1,0,1,0,0|2,0,0]=4 2460 B12R1.371 CC(CO)NC1CCCNC1=O 2230a_100000747585_100012180447 [0,1,0,1,0,0|2,0,0]=4 2461 B12R1.371 CC(CO)NC1CCCNC1=O 34a_100000747585_100012180447 [0,1,0,1,0,0|2,0,0]=4 2462 B12R1.371 CC(CO)OC1CCCCC1=O 34a_100011214950_100012180447 [0,1,0,1,0,0|2,0,0]=4 2463 B12R1.371 CC(CO)OC1CCCNC1=O 34a_100000073722_100012180447 [0,1,0,1,0,0|2,0,0]=4 2464 B12R1.371 CC(CO)SC1CCCCC1=O 62a_100012180447_100000204591 [0,1,0,1,0,0|2,0,0]=4 2465 B12R1.371 CC(CO)SC1CCCNC1=O 62a_100012180447_100000687798 [0,1,0,1,0,0|2,0,0]=4 2466 B12R1.371 C[C@H](CO)NC1CCCNC1=O 2230a_100000737577_100000687798 [0,1,0,1,0,0|2,0,0]=4 2467 B12R1.371 C[C@H](CO)SC1CCCCC1=O 62a_100000204591_100016084084 [0,1,0,1,0,0|2,0,0]=4 2468 B12R1.371 C[C@H](CO)SC1CCCCC1=O 62a_100016084084_100000204591 [0,1,0,1,0,0|2,0,0]=4 2469 B12R1.371 C[C@H](CO)SC1CCCNC1=O 62a_100000687798_100016084084 [0,1,0,1,0,0|2,0,0]=4 2470 B12R1.371 C[C@H](CO)SC1CCCNC1=O 62a_100016084084_100000687798 [0,1,0,1,0,0|2,0,0]=4 2471 B12R1.532 CC1CC(C(=O)O1)N[C@H](C)CO 2230a_100000737577_200000216747 [0,1,0,1,0,0|1,0,0]=3 2472 B12R1.532 CC1CC(C(=O)O1)OC(C)CF 34a_100016041109_200000216747 [0,1,0,1,0,0|2,0,0]=4 2473 B12R1.532 CC1CC(C(=O)O1)OC(C)CF 7a_100016041109_200000216747 [0,1,0,1,0,0|2,0,0]=4 2474 B12R1.532 CC1CC(C(=O)O1)OC(C)CN 34a_100000210904_200000216747 [0,1,0,1,0,0|2,0,0]=4 2475 B12R1.532 CC1CC(C(=O)O1)SC(C)CO 62a_100012180447_200000216747 [0,1,0,1,0,0|1,0,0]=3 2476 B12R1.532 CC1CC(C(=O)O1)S[C@H](C)CO 62a_100016084084_200000216747 [0,1,0,1,0,0|1,0,0]=3 2477 B12R1.532 CC1CC(C(=O)O1)S[C@H](C)CO 62a_200000216747_100016084084 [0,1,0,1,0,0|1,0,0]=3 2478 B12R1.532 CCC(C)NC1CC(OC1=O)C 2230a_100000209981_200000216747 [0,1,0,1,0,0|2,0,0]=4 2479 B12R1.532 CCC(C)OC1CC(OC1=O)C 7a_100000210228_200000216747 [0,1,0,1,0,0|2,0,0]=4 2480 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_100000758301_200000216747 [0,1,0,1,0,0|2,0,0]=4 2481 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_200000216747_100000758301 [0,1,0,1,0,0|2,0,0]=4 2482 B12R1.2219 CCC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000758301 [0,1,0,1,0,0|2,0,0]=4 2483 B12R1.2219 C[C@H](CO)NC1(CCC1)C(=O)O 269956a_100000688724_100016084084 [0,1,0,1,0,0|1,0,0]=3 2484 B12R2.252 CC(=O)N1C[C@H]2COC[C@H]2C1 11a_100000700037_100015343762 [0,0,0,2,0,0|2,0,0]=4 2485 B12R2.252 CC(=O)N1C[C@H]2COC[C@H]2C1 240690a_100000700037_100015343762 [0,0,0,2,0,0|2,0,0]=4 2486 B12R2.1356 O=C(O)[C@@H]1CCCN1C2CC2 269956a_100000743916_100000211595 [0,0,0,2,0,0|2,0,0]=4 2487 B12R2.993 CC1CC(C(=O)O1)N2CCC2 269982a_100000754969_200000216747 [0,0,0,2,0,0|2,0,0]=4 2488 B12R2.2310 CC1CC(C(=O)O1)NC2CC2 34a_100000212008_200000216747 [0,0,0,2,0,0|2,0,0]=4 2489 B12R2.2310 CC1CC(C(=O)O1)SC2CC2 62a_200000216747_100000211595 [0,0,0,2,0,0|2,0,0]=4 2490 B12R2.3222 O=C(O)C1(CCC1)NC2CC2 269956a_100000688724_100000211595 [0,0,0,2,0,0|2,0,0]=4 2491 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [1,0,0,0,0,1|1,0,0]=3 2492 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [1,0,0,0,0,1|1,0,0]=3 2493 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [1,0,0,0,0,1|1,0,0]=3 2494 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [1,0,0,0,0,1|1,0,0]=3 2495 B10R0.79 CCCN(CCC)CC(=O)C 1458a_200011243382_200000210301 [1,0,0,0,0,1|2,0,0]=4 2496 B10R0.79 CCCN(CCC)CC(=O)N 2230a_100000210455_100000747473 [1,0,0,0,0,1|2,0,0]=4 2497 B10R0.79 CCCN(CCC)CC(=O)N 269982a_100000210455_100000187820 [1,0,0,0,0,1|2,0,0]=4 2498 B10R0.79 CCCN(CCC)CC(=O)[13CH3] 1458a_200011243382_200025704644 [1,0,0,0,0,1|2,0,0]=4 2499 B10R0.79 CCCN(CCC)CC(=O)[O-] 269982a_100000210455_100020667443 [1,0,0,0,0,1|1,0,1]=4 2500 B10R0.79 CCCN(CCO)CC(=O)N 2230a_100000211420_100000747473 [1,0,0,0,0,1|2,0,0]=4 2501 B10R0.79 CCCN(CCO)CC(=O)N 269982a_100000211420_100000187820 [1,0,0,0,0,1|2,0,0]=4 2502 B10R0.79 CCCN(CCO)CC(=O)O 269956a_100000747938_100000210207 [1,0,0,0,0,1|1,0,0]=3 2503 B10R0.79 CCCN(CCO)CC(=O)[O-] 269982a_100000211420_100020667443 [1,0,0,0,0,1|1,0,1]=4 2504 B10R0.79 CCC[C@@H](CCO)NC(=O)C 240690a_100015193777_100015343762 [1,0,0,0,0,1|1,0,0]=3 2505 B10R0.79 CCC[C@@H](CCO)NC(=O)C 527a_100015193777_100103153847 [1,0,0,0,0,1|1,0,0]=3 2506 B10R0.79 COCN(CCO)CC(=O)O 269956a_100000747938_100000766300 [1,0,0,0,0,1|2,0,0]=4 2507 B10R0.79 CSCN(CCO)CC(=O)O 269956a_100000747938_100011218213 [1,0,0,0,0,1|2,0,0]=4 2508 B10R0.79 O=C(O)CN(CCO)CCF 269956a_100000747938_100011217306 [1,0,0,0,0,1|2,0,0]=4 2509 B10R0.79 O=C(O)CN(CCO)CCO 269956a_100000747938_100000211926 [1,0,0,0,0,1|2,0,0]=4 2510 B12R0.12 CCCCC(CCC)NCC(=O)O 269956a_100016091260_100000211913 [0,0,0,0,0,2|1,0,0]=3 2511 B12R0.12 CCCCC(CCC)OCC(=O)C 34a_100000211253_100000211913 [0,0,0,0,0,2|2,0,0]=4 2512 B12R0.12 CCCCC(CCC)OCC(=O)N 34a_100011215800_100000187820 [0,0,0,0,0,2|2,0,0]=4 2513 B12R0.12 CCCCC(CCC)OCC(=O)N 7a_100011215800_100000187820 [0,0,0,0,0,2|2,0,0]=4 2514 B12R0.12 CCCCC(CCC)OCC(=O)[O-] 34a_100011215800_100020667443 [0,0,0,0,0,2|1,0,1]=4 2515 B12R0.12 CCCCC(CCC)SCC(=O)N 62a_100000211913_100000747473 [0,0,0,0,0,2|2,0,0]=4 2516 B12R0.12 CCCCC(CCC)SCC(=O)N 62a_100000747473_100000211913 [0,0,0,0,0,2|2,0,0]=4 2517 B12R0.12 CCCCC(CCC)SCC(=O)[O-] 62a_100000211913_100020667443 [0,0,0,0,0,2|1,0,1]=4 2518 B12R0.12 CCCCC(CCC)SCC(=O)[O-] 62a_100020667443_100000211913 [0,0,0,0,0,2|1,0,1]=4