0 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,0,0,0,0,0|1,0,3]=4 16 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,0,0,0,0,0|1,0,3]=4 27 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,0,0,0,0,0|1,0,3]=4 28 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,0,0,0,0,0|4,0,0]=4 38 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.28 C=C(F)COCC(C)Br 34a_100012180447_100009893438 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.28 C=C(F)COCC(C)F 34a_100015925927_100009893438 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [0,0,0,0,0,0|4,0,0]=4 44 B8R0.28 C=C(F)COC[C@@H](C)Cl 34a_100016084084_100009893438 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.28 C=C(F)COC[C@@H](C)N 34a_100000737577_100009893438 [0,0,0,0,0,0|4,0,0]=4 46 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [0,0,0,0,0,0|4,0,0]=4 47 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.28 C=C(F)CSCC(C)O 62a_100000042424_100011218427 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.28 C=C(F)CSCC(C)O 62a_100011218427_100000042424 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100000042424_100009817552 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100009817552_100000042424 [0,0,0,0,0,0|4,0,0]=4 53 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,0|3,0,1]=4 59 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,0|3,0,1]=4 60 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,0|1,0,2]=3 63 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,0|1,0,2]=3 65 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,0|2,0,1]=3 67 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,0|1,0,0]=1 68 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,0|1,0,0]=1 69 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,0|2,0,0]=2 70 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,0|2,0,0]=2 71 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,0|2,0,0]=2 72 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,0,0,0,0,0|2,0,2]=4 73 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,0|2,0,0]=2 80 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,0|2,0,0]=2 81 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,0|2,0,0]=2 82 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,0|2,0,0]=2 84 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,0|2,0,0]=2 85 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,0|2,0,0]=2 86 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,0|2,0,0]=2 90 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,0|2,0,0]=2 91 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,0|3,0,0]=3 92 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,0|3,0,0]=3 94 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,0|2,0,2]=4 95 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,0|3,0,1]=4 101 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,0|2,0,0]=2 102 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,0|2,0,0]=2 103 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,0|2,0,0]=2 104 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,0|2,0,0]=2 105 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,0,0,0,0|3,0,0]=3 106 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,0,0,0,0|3,0,0]=3 107 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,0|3,0,1]=4 112 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,0,0,0,0|4,0,0]=4 114 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,0|3,0,0]=3 115 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,0|3,0,0]=3 118 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,0|3,0,0]=3 119 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,0,0,0,0,0|2,0,1]=3 123 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,0,0,0,0,0|3,0,1]=4 124 B8R0.28 CC(Br)COC[N+](=O)[O-] 34a_100012180447_100000761209 [0,0,0,0,0,0|3,0,1]=4 125 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,0|1,0,2]=3 126 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,0|1,0,0]=1 127 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,0,0,0,0,0|3,0,0]=3 128 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,0,0,0,0,0|3,0,1]=4 131 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,0|2,0,0]=2 137 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,0|2,0,0]=2 138 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,0|2,0,0]=2 139 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,0|1,0,0]=1 140 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,0|1,0,1]=2 141 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,0,0,0,0,0|3,0,1]=4 142 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,0,0,0,0,0|3,0,1]=4 143 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,0,0,0,0|2,0,1]=3 145 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,0,0,0,0|2,0,1]=3 146 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,0,0,0,0|2,0,1]=3 147 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,0,0,0,0|2,0,1]=3 148 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,0,0,0,0|2,0,1]=3 149 B8R0.28 CC(C)CNCC(F)F 2230a_100000210953_100011934356 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.28 CC(C)CNCC(F)F 270004a_100000765723_100000210432 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.28 CC(C)CNCC(F)F 34a_100000210953_100011934356 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.28 CC(C)CNCC(F)F 34a_100000765723_100000210624 [0,0,0,0,0,0|3,0,1]=4 153 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,0,0,0,0|2,0,1]=3 154 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,0,0,0,0|2,0,1]=3 155 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,0,0,0,0,0|2,0,1]=3 156 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,0,0,0,0|2,0,0]=2 157 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,0|2,0,0]=2 158 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,0,0,0,0|1,0,1]=2 159 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,0,0,0,0,0|3,0,1]=4 161 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,0,0,0,0,0|3,0,1]=4 162 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,0,0,0,0|2,0,1]=3 163 B8R0.28 CC(C)COCC(F)F 34a_100000210257_100011934356 [0,0,0,0,0,0|3,0,1]=4 164 B8R0.28 CC(C)COCC(F)F 34a_100000743014_100000210624 [0,0,0,0,0,0|3,0,1]=4 165 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,0,0,0,0,0|3,0,1]=4 166 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,0,0,0,0,0|3,0,1]=4 167 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,0,0,0,0|2,0,1]=3 168 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,0,0,0,0,0|2,0,1]=3 169 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,0,0,0,0|2,0,0]=2 170 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,0,0,0,0|2,0,0]=2 171 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,0,0,0,0|1,0,1]=2 172 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,0,0,0,0|1,0,1]=2 173 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,0,0,0,0|2,0,1]=3 175 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,0,0,0,0|2,0,1]=3 176 B8R0.28 CC(C)CSCC(F)F 62a_100000210624_100011934356 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.28 CC(C)CSCC(F)F 62a_100011934356_100000210760 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,0,0,0,0|2,0,1]=3 179 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,0,0,0,0|2,0,1]=3 180 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,0,0,0,0,0|2,0,1]=3 181 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,0|2,0,0]=2 182 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,0|2,0,0]=2 183 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,0,0,0,0|2,0,0]=2 184 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,0|2,0,0]=2 185 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,0|2,0,0]=2 186 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,0|2,0,0]=2 187 B8R0.28 CC(C)OCCC(F)F 34a_100103093639_100000210206 [0,0,0,0,0,0|3,0,1]=4 188 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,0,0,0,0,0|4,0,0]=4 189 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,0,0,0,0,0|4,0,0]=4 190 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,0,0,0,0,0|3,0,1]=4 191 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,0|2,0,0]=2 192 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,0|2,0,0]=2 193 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,0,0,0,0,0|4,0,0]=4 194 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,0,0,0,0,0|4,0,0]=4 195 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,0,0,0,0,0|4,0,0]=4 196 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,0,0,0,0,0|3,0,0]=3 197 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,0,0,0,0,0|2,0,1]=3 198 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.28 CC(F)COC[N+](=O)[O-] 34a_100015925927_100000761209 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,0,0,0,0,0|2,0,1]=3 201 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,0,0,0,0,0|2,0,1]=3 202 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,0,0,0,0|2,0,1]=3 203 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,0,0,0,0|2,0,1]=3 204 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,0,0,0,0|2,0,1]=3 205 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,0,0,0,0|2,0,1]=3 206 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,0,0,0,0|2,0,1]=3 207 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,0,0,0,0|2,0,1]=3 208 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,0,0,0,0|3,0,0]=3 209 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,0,0,0,0|3,0,0]=3 210 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,0|3,0,0]=3 211 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,0|2,0,0]=2 212 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,0|2,0,1]=3 213 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,0,0,0,0,0|3,0,1]=4 214 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,0,0,0,0,0|3,0,1]=4 215 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,0,0,0,0,0|3,0,1]=4 216 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.28 CC(O)CNC[N+](=O)[O-] 34a_100000210904_100000761209 [0,0,0,0,0,0|3,0,1]=4 218 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,0,0,0,0,0|3,0,1]=4 220 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,0,0,0,0,0|3,0,1]=4 221 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,0,0,0,0,0|3,0,1]=4 222 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,0,0,0,0|3,0,0]=3 223 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,0,0,0,0|2,0,1]=3 225 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,0,0,0,0|2,0,1]=3 226 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.28 CC(O)CSC[N+](=O)[O-] 62a_100011218427_100000761209 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,0|2,0,2]=4 231 B8R0.28 CN(C)CCC=C(F)F 2230a_100102631434_200009816681 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.28 CN(C)CCC=C(F)F 269982a_100102631434_200009816681 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,0,0|2,0,0]=2 234 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,0|1,0,0]=1 235 B8R0.28 CN(C)CCCN(C)C 269982a_100000225831_200000210301 [0,0,0,0,0,0|4,0,0]=4 236 B8R0.28 CN(C)CCCN(C)C 269982a_100102631434_100000757444 [0,0,0,0,0,0|4,0,0]=4 237 B8R0.28 CN(C)CCCN(C)[13CH3] 269982a_100000225831_200025704644 [0,0,0,0,0,0|4,0,0]=4 238 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,0,0|3,0,0]=3 239 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,0,0|3,0,0]=3 240 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,0,0|3,0,0]=3 241 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,0|1,0,0]=1 242 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,0,0,0,0,0|3,0,0]=3 243 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,0,0,0,0,0|2,0,1]=3 244 B8R0.28 C[C@@H](Cl)COC[N+](=O)[O-] 34a_100016084084_100000761209 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,0,0,0,0,0|3,0,0]=3 246 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,0,0,0,0,0|2,0,1]=3 247 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.28 C[C@@H](N)COC[N+](=O)[O-] 34a_100000737577_100000761209 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,0,0,0,0|3,0,0]=3 250 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,0|2,0,0]=2 251 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,0,0,0,0|3,0,0]=3 253 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,0,0,0,0|3,0,0]=3 254 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,0,0,0,0|2,0,1]=3 255 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,0,0,0,0|2,0,1]=3 256 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,0,0,0,0,0|3,0,1]=4 257 B8R0.28 C[C@@H](O)CSC[N+](=O)[O-] 62a_100009817552_100000761209 [0,0,0,0,0,0|3,0,1]=4 258 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,0,0|3,0,1]=4 259 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,0,0,0,0,0|4,0,0]=4 260 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,0,0,0,0,0|4,0,0]=4 261 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,0,0,0,0,0|4,0,0]=4 262 B8R0.28 NC(=O)CSCC(F)F 62a_100000747473_100011934356 [0,0,0,0,0,0|4,0,0]=4 263 B8R0.28 NC(=O)CSCC(F)F 62a_100011934356_100000747473 [0,0,0,0,0,0|4,0,0]=4 264 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,0,0,0,0,0|3,0,0]=3 265 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,0,0,0,0,0|4,0,0]=4 266 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,0,0|3,0,1]=4 267 B8R0.28 O=C([O-])CNCC(F)F 34a_100000765723_100020667443 [0,0,0,0,0,0|3,0,1]=4 268 B8R0.28 O=C([O-])COCC(F)F 34a_100000743014_100020667443 [0,0,0,0,0,0|3,0,1]=4 269 B8R0.28 O=C([O-])CSCC(F)F 62a_100011934356_100020667443 [0,0,0,0,0,0|3,0,1]=4 270 B8R0.28 O=C([O-])CSCC(F)F 62a_100020667443_100011934356 [0,0,0,0,0,0|3,0,1]=4 271 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,0,0,0,0,0|2,0,2]=4 272 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,0|3,0,1]=4 273 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,0|3,0,1]=4 274 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 275 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 276 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 277 B7R0.4 C#CCCCN(C)C 2230a_100102631434_100000731252 [1,0,0,0,0,0|2,0,1]=4 278 B7R0.4 C#CCCCN(C)C 269982a_100102631434_100011215417 [1,0,0,0,0,0|2,0,1]=4 279 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [1,0,0,0,0,0|2,0,1]=4 281 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [1,0,0,0,0,0|2,0,1]=4 282 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [1,0,0,0,0,0|2,0,1]=4 283 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [1,0,0,0,0,0|2,0,1]=4 284 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [1,0,0,0,0,0|2,0,1]=4 285 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [1,0,0,0,0,0|2,0,1]=4 286 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,2]=4 287 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [1,0,0,0,0,0|2,0,1]=4 288 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [1,0,0,0,0,0|2,0,1]=4 291 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [1,0,0,0,0,0|2,0,1]=4 292 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [1,0,0,0,0,0|2,0,1]=4 293 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,0,0,0,0,0|2,0,1]=4 294 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,0,0,0,0,0|2,0,1]=4 295 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,0,0,0,0,0|2,0,1]=4 296 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,0,0,0,0,0|2,0,1]=4 297 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,0,0,0,0,0|2,0,1]=4 298 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|3,0,0]=4 299 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 300 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 301 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 302 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 303 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [1,0,0,0,0,0|1,0,2]=4 305 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 306 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 307 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,0,0,0,0,0|1,0,2]=4 308 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,0,0,0,0,0|1,0,2]=4 309 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 310 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 311 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|3,0,0]=4 312 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|3,0,0]=4 313 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|3,0,0]=4 314 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|3,0,0]=4 315 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 316 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 317 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 318 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [1,0,0,0,0,0|2,0,0]=3 319 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [1,0,0,0,0,0|2,0,0]=3 320 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [1,0,0,0,0,0|2,0,0]=3 321 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [1,0,0,0,0,0|2,0,0]=3 322 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [1,0,0,0,0,0|2,0,0]=3 323 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [1,0,0,0,0,0|2,0,0]=3 324 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [1,0,0,0,0,0|2,0,0]=3 325 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,0,0,0,0,0|2,0,0]=3 326 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,0,0,0,0,0|2,0,0]=3 327 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,2]=4 328 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [1,0,0,0,0,0|2,0,0]=3 329 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [1,0,0,0,0,0|2,0,0]=3 330 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [1,0,0,0,0,0|2,0,0]=3 331 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [1,0,0,0,0,0|2,0,0]=3 332 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,0,0,0,0|3,0,0]=4 333 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,0,0,0,0|3,0,0]=4 334 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,0,0,0,0|3,0,0]=4 335 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,0,0,0,0|3,0,0]=4 336 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [1,0,0,0,0,0|3,0,0]=4 337 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [1,0,0,0,0,0|2,0,0]=3 338 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [1,0,0,0,0,0|2,0,0]=3 339 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [1,0,0,0,0,0|3,0,0]=4 340 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,0,0,0,0,0|3,0,0]=4 341 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [1,0,0,0,0,0|3,0,0]=4 342 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [1,0,0,0,0,0|3,0,0]=4 343 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,0,0,0,0,0|3,0,0]=4 344 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,0,0,0,0,0|2,0,0]=3 345 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,0,0,0,0,0|2,0,0]=3 346 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,0,0,0,0,0|3,0,0]=4 348 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,0,0,0,0,0|3,0,0]=4 349 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,0,0,0,0,0|3,0,0]=4 350 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 355 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,0]=3 356 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,0]=3 357 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 358 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 359 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,0]=3 360 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,0]=3 361 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 362 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 364 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 365 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|2,0,1]=4 366 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 367 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 368 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 369 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 370 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 372 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 373 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|3,0,0]=4 374 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|3,0,0]=4 375 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|3,0,0]=4 376 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|3,0,0]=4 377 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|3,0,0]=4 378 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|3,0,0]=4 379 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|3,0,0]=4 380 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|3,0,0]=4 381 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [1,0,0,0,0,0|2,0,0]=3 382 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,0]=3 384 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,0]=3 385 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,0]=3 386 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,0]=3 387 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,0]=3 388 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,0]=3 389 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,0,0,0,0,0|1,0,0]=2 395 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,0,0,0,0,0|1,0,0]=2 396 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,0,0,0,0|1,0,1]=3 400 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,0,0,0,0|1,0,1]=3 401 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,0,0,0,0|1,0,1]=3 402 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,0,0,0,0|1,0,1]=3 403 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,0,0,0,0|1,0,1]=3 404 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [1,0,0,0,0,0|1,0,0]=2 405 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,0,0,0,0,0|2,0,1]=4 406 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,0,0,0,0,0|2,0,1]=4 407 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,0,0,0,0|1,0,1]=3 409 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,0,0,0,0,0|1,0,0]=2 412 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,0,0,0,0,0|1,0,0]=2 413 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,0,0,0,0|1,0,1]=3 416 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,0,0,0,0|1,0,1]=3 417 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,0,0,0,0,0|2,0,1]=4 419 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,0,0,0,0,0|2,0,1]=4 420 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,0,0,0,0,0|2,0,1]=4 421 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,0,0,0,0,0|1,0,1]=3 423 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,0,0,0,0,0|1,0,1]=3 424 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,0,0,0,0,0|3,0,0]=4 425 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,0,0,0,0|2,0,1]=4 429 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,0,0,0,0|2,0,1]=4 430 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|1,0,1]=3 431 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,0,0,0,0,0|3,0,0]=4 432 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,0,0,0,0,0|3,0,0]=4 433 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [1,0,0,0,0,0|3,0,0]=4 434 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,0,0,0,0,0|3,0,0]=4 435 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,0,0,0,0,0|3,0,0]=4 436 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,0,0,0,0,0|3,0,0]=4 437 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,0,0,0,0,0|3,0,0]=4 438 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,0,0,0,0,0|1,0,1]=3 443 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,0,0,0,0,0|1,0,1]=3 444 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,0,0,0,0,0|3,0,0]=4 445 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,0,0,0,0,0|3,0,0]=4 446 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,0,0,0,0,0|3,0,0]=4 447 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,0,0,0,0,0|3,0,0]=4 448 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,0,0,0,0,0|3,0,0]=4 449 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,0,0,0,0,0|3,0,0]=4 450 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|2,0,1]=4 454 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,0,0,0,0,0|2,0,0]=3 455 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|2,0,0]=3 456 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,0,0,0,0|2,0,1]=4 457 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,0,0,0,0|2,0,1]=4 460 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,0,0,0,0,0|2,0,0]=3 461 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,0,0,0,0,0|2,0,0]=3 462 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,0,0,0,0|2,0,1]=4 463 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,0,0,0,0|2,0,1]=4 464 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 465 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 466 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 467 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,0,0,0,0,0|2,0,1]=4 469 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,0,0,0,0,0|2,0,1]=4 470 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,0,0,0,0,0|2,0,1]=4 471 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,0,0,0,0,0|2,0,1]=4 472 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 473 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 474 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 475 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 476 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 477 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 478 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 479 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 480 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 481 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,1]=4 482 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 483 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,1]=4 484 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 485 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 487 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 488 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 489 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,0]=3 490 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 491 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 492 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 493 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 495 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,1]=4 496 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,1]=4 499 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 500 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,0]=2 501 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 507 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 508 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 509 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 510 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 511 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|1,0,1]=3 512 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,1]=4 513 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,1]=4 514 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,1]=4 515 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,1]=4 516 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|2,0,1]=4 517 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 518 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 519 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 520 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 521 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|1,0,1]=3 522 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|1,0,1]=3 523 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,1]=4 524 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,1]=4 525 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,1]=4 526 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,1]=4 527 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 531 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|2,0,1]=4 532 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 534 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 535 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|2,0,0]=3 536 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 537 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 538 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 539 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 540 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 541 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 542 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 543 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 544 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|2,0,1]=4 546 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|2,0,1]=4 547 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|2,0,1]=4 548 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 549 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 550 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 551 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 552 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 553 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 554 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 555 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 556 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 560 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 562 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [1,0,0,0,0,0|2,0,1]=4 563 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [1,0,0,0,0,0|2,0,1]=4 564 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [1,0,0,0,0,0|1,0,0]=2 565 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [1,0,0,0,0,0|1,0,0]=2 566 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|1,0,1]=3 569 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|1,0,1]=3 570 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|1,0,1]=3 571 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|1,0,1]=3 572 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|3,0,0]=4 573 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|1,0,1]=3 574 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|1,0,1]=3 575 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,0]=3 576 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,0]=3 577 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 578 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 579 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 580 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,0]=3 581 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,0]=3 582 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,0]=3 583 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,0]=3 584 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,0]=3 585 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 586 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|2,0,1]=4 587 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 589 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|3,0,0]=4 590 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|3,0,0]=4 591 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 592 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 593 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 594 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 595 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 596 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|3,0,0]=4 597 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|3,0,0]=4 598 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 599 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 600 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,0,0,0,0,0|3,0,0]=4 601 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,0,0,0,0,0|3,0,0]=4 602 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,0,0,0,0,0|3,0,0]=4 603 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,0,0,0,0,0|3,0,0]=4 604 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,0,0,0,0,0|3,0,0]=4 605 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,0,0,0,0,0|3,0,0]=4 606 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,0,0,0,0,0|3,0,0]=4 607 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,0,0,0,0,0|3,0,0]=4 608 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,0,0,0,0,0|3,0,0]=4 609 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,0,0,0,0,0|3,0,0]=4 610 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,0]=3 611 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,0]=3 612 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 613 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,0]=3 614 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 615 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 616 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,0]=3 617 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,0]=3 618 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,0]=3 619 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,0]=3 620 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 622 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 623 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 624 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 625 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 626 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 627 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,0,1]=4 628 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 629 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 630 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|3,0,0]=4 631 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|3,0,0]=4 632 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 633 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,0,0,0,0,0|3,0,0]=4 634 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,0,0,0,0,0|3,0,0]=4 635 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,0,0,0,0,0|3,0,0]=4 636 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,0,0,0,0,0|3,0,0]=4 637 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|3,0,0]=4 638 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 639 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 640 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,0,0,0,0,0|3,0,0]=4 641 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,0,0,0,0,0|3,0,0]=4 642 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,0,0,0,0,0|3,0,0]=4 643 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,0,0,0,0,0|3,0,0]=4 644 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,0,0,0,0,0|3,0,0]=4 645 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,0,0,0,0,0|3,0,0]=4 646 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,0,0,0,0,0|3,0,0]=4 647 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,0,0,0,0,0|3,0,0]=4 648 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,0,0,0,0,0|3,0,0]=4 649 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,0,0,0,0,0|3,0,0]=4 650 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 651 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,0]=3 652 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,0,0,0,0,0|3,0,0]=4 653 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 654 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 655 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,0,1]=4 656 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,0,1]=4 657 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,0,0,0,0,0|3,0,0]=4 658 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,0,0,0,0,0|3,0,0]=4 659 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|3,0,0]=4 660 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,0]=3 661 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,0]=3 662 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,0]=3 663 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 664 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 665 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,0]=3 666 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,0]=3 667 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,0]=3 668 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|2,0,1]=4 669 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|3,0,0]=4 671 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 672 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 673 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 674 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|3,0,0]=4 675 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|3,0,0]=4 676 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|3,0,0]=4 677 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 678 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 679 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,0,0,0,0,0|3,0,0]=4 680 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,0,0,0,0,0|3,0,0]=4 681 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,0,0,0,0,0|3,0,0]=4 682 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|3,0,0]=4 683 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|3,0,0]=4 684 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 685 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 686 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,0,0,0,0,0|3,0,0]=4 687 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,0,0,0,0,0|3,0,0]=4 688 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,0,0,0,0,0|3,0,0]=4 689 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,0,0,0,0,0|3,0,0]=4 690 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,0,0,0,0,0|3,0,0]=4 691 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,0,0,0,0,0|3,0,0]=4 692 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,0,0,0,0,0|3,0,0]=4 693 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,0,0,0,0,0|3,0,0]=4 694 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,0,0,0,0,0|3,0,0]=4 695 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 696 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 697 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 698 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 699 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|3,0,0]=4 700 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,0,0,0,0,0|3,0,0]=4 701 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 702 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 703 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|2,0,1]=4 704 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|2,0,1]=4 705 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,0,0,0,0,0|3,0,0]=4 706 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,0,0,0,0,0|3,0,0]=4 707 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [1,0,0,0,0,0|2,0,0]=3 708 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,0,0,0,0,0|2,0,1]=4 709 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [1,0,0,0,0,0|2,0,0]=3 710 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,0,0,0,0,0|2,0,1]=4 711 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,0,0,0,0|2,0,1]=4 712 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,0,0,0,0|2,0,1]=4 713 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,0,0,0,0,0|2,0,0]=3 714 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,0,0,0,0,0|2,0,0]=3 715 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,0,0,0,0|2,0,1]=4 716 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,0,0,0,0|2,0,1]=4 717 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 719 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 720 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 721 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 722 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 723 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 724 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 725 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 726 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 727 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 728 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 729 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 730 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 731 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 732 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 733 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|2,0,1]=4 734 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,0]=3 735 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,0]=3 736 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 737 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|2,0,1]=4 738 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|2,0,1]=4 739 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 740 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|2,0,1]=4 741 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|2,0,1]=4 742 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 743 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|2,0,1]=4 744 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|2,0,1]=4 745 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [1,0,0,0,0,0|3,0,0]=4 746 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [1,0,0,0,0,0|3,0,0]=4 747 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [1,0,0,0,0,0|3,0,0]=4 748 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [1,0,0,0,0,0|3,0,0]=4 749 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 750 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,0]=3 751 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 752 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 753 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 754 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,0,1]=4 755 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 756 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 757 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 758 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 759 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 760 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 761 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 762 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 763 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,1,0,0,0,0|1,0,2]=4 764 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,0,0,0,0|2,0,1]=4 765 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,1,0,0,0,0|1,0,0]=2 766 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,0|2,0,0]=3 767 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,1,0,0,0,0|2,0,0]=3 768 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,1,0,0,0,0|2,0,0]=3 769 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,1,0,0,0,0|2,0,0]=3 770 B9R0.1 C#CC(C)NCCC(=O)N 2230a_100000707721_100000744528 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.1 C#CC(C)NCCC(=O)N 34a_100000707721_100000731001 [0,1,0,0,0,0|2,0,1]=4 772 B9R0.1 C#CC(C)NOCC(=O)O 269956a_100000106656_200000035995 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.1 C#CC(C)OCCC(=O)C 34a_100000759926_200000035995 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.1 C#CC(C)OCCC(=O)N 34a_100000757172_200000035995 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.1 C#CC(C)SCCC(=O)C 62a_200000035995_100000053229 [0,1,0,0,0,0|2,0,1]=4 776 B9R0.1 C#CC(C)SCCC(=O)N 62a_200000035995_100000744528 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.1 C#C[C@@H](C)OCCC(=O)C 7a_100009815206_100000053229 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.1 C#C[C@@H](C)OCCC(=O)N 34a_100009815206_100000731001 [0,1,0,0,0,0|2,0,1]=4 779 B9R0.1 C#C[C@@H](C)OCCC(=O)N 7a_100009815206_100000744528 [0,1,0,0,0,0|2,0,1]=4 780 B9R0.1 C=C(Br)CCOC(C)CC 34a_100009813270_100011215416 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.1 C=C(Br)CCOC(C)CO 34a_100009813270_100012180447 [0,1,0,0,0,0|3,0,0]=4 782 B9R0.1 C=C(C#N)CNCC(C)C 2230a_100000210953_100000694840 [0,1,0,0,0,0|3,0,0]=4 783 B9R0.1 C=C(C#N)CNCC(C)C 34a_100000210953_100000694840 [0,1,0,0,0,0|3,0,0]=4 784 B9R0.1 C=C(C#N)COCC(C)C 34a_100000210257_100000694840 [0,1,0,0,0,0|3,0,0]=4 785 B9R0.1 C=C(C#N)CSCC(C)C 62a_100000210624_100000694840 [0,1,0,0,0,0|3,0,0]=4 786 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,0,0,0,0|3,0,0]=4 787 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,1,0,0,0,0|3,0,0]=4 788 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,1,0,0,0,0|3,0,0]=4 789 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,1,0,0,0,0|3,0,0]=4 790 B9R0.1 C=C(C)CCOC(C)CF 34a_100016041109_100000730704 [0,1,0,0,0,0|3,0,0]=4 791 B9R0.1 C=C(C)CCOC(C)CF 7a_100016041109_100000730704 [0,1,0,0,0,0|3,0,0]=4 792 B9R0.1 C=C(C)CCOC(C)CN 34a_100000210904_100000730704 [0,1,0,0,0,0|3,0,0]=4 793 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,1,0,0,0,0|3,0,0]=4 794 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,1,0,0,0,0|3,0,0]=4 795 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,1,0,0,0,0|3,0,0]=4 796 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,1,0,0,0,0|3,0,0]=4 797 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,1,0,0,0,0|3,0,0]=4 798 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,1,0,0,0,0|3,0,0]=4 799 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,1,0,0,0,0|3,0,0]=4 800 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,1,0,0,0,0|3,0,0]=4 801 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,0|3,0,0]=4 802 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,1,0,0,0,0|3,0,0]=4 803 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,1,0,0,0,0|3,0,0]=4 804 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,0|1,0,2]=4 805 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,0|3,0,0]=4 806 B9R0.1 C=C(C)COCC(C)CN 34a_100000744482_100000748629 [0,1,0,0,0,0|3,0,0]=4 807 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,1,0,0,0,0|3,0,0]=4 808 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,0|3,0,0]=4 809 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,0|3,0,0]=4 810 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,1,0,0,0,0|3,0,0]=4 811 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,0|1,0,2]=4 812 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,0|1,0,2]=4 813 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,0|3,0,0]=4 814 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,0|3,0,0]=4 815 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,0|3,0,0]=4 816 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,0|3,0,0]=4 817 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,1,0,0,0,0|3,0,0]=4 818 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,1,0,0,0,0|3,0,0]=4 819 B9R0.1 C=C(F)CNCC(C)CC 2230a_100020588543_100009893438 [0,1,0,0,0,0|3,0,0]=4 820 B9R0.1 C=C(F)CNCC(C)CO 34a_100000744482_100009893438 [0,1,0,0,0,0|3,0,0]=4 821 B9R0.1 C=C(F)CNC[C@@H](C)OC 2230a_100020591295_100009893438 [0,1,0,0,0,0|3,0,0]=4 822 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,1,0,0,0,0|3,0,0]=4 823 B9R0.1 C=C(F)COCC(C)CN 34a_100000744482_100009893438 [0,1,0,0,0,0|3,0,0]=4 824 B9R0.1 C=C(F)COCC(C)OC 34a_100000690652_100009893438 [0,1,0,0,0,0|3,0,0]=4 825 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,1,0,0,0,0|3,0,0]=4 826 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,1,0,0,0,0|3,0,0]=4 827 B9R0.1 C=C(F)COC[C@@H](C)CO 34a_200010262243_100000059175 [0,1,0,0,0,0|3,0,0]=4 828 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,1,0,0,0,0|3,0,0]=4 829 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,1,0,0,0,0|3,0,0]=4 830 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,1,0,0,0,0|3,0,0]=4 831 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,1,0,0,0,0|3,0,0]=4 832 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000042424_100000059175 [0,1,0,0,0,0|3,0,0]=4 833 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000059175_100000042424 [0,1,0,0,0,0|3,0,0]=4 834 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,0|1,0,2]=4 835 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|2,0,1]=4 836 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,0|1,0,0]=2 837 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|2,0,0]=3 838 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,1,0,0,0,0|2,0,0]=3 839 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,0|2,0,0]=3 840 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,0,0,0,0|2,0,0]=3 841 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,1,0,0,0,0|2,0,0]=3 842 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,1,0,0,0,0|2,0,0]=3 843 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,1,0,0,0,0|3,0,0]=4 844 B9R0.1 C=CC(=O)NCCN(C)C 240690a_100000210585_200121576911 [0,1,0,0,0,0|3,0,0]=4 845 B9R0.1 C=CC(=O)NNCC(C)C 22a_100000696102_100000185746 [0,1,0,0,0,0|3,0,0]=4 846 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,1,0,0,0,0|3,0,0]=4 847 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,1,0,0,0,0|3,0,0]=4 848 B9R0.1 C=CC(C)COCC(=O)N 34a_100011215527_100000187820 [0,1,0,0,0,0|2,0,1]=4 849 B9R0.1 C=CC(C)COCC(=O)N 7a_100011215527_100000187820 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.1 C=CC(C)COCC(=O)[O-] 34a_100011215527_100020667443 [0,1,0,0,0,0|1,0,2]=4 851 B9R0.1 C=CC(C)NOCC(=O)O 269956a_100000106656_100011215867 [0,1,0,0,0,0|2,0,1]=4 852 B9R0.1 C=CC(C)OCCC(=O)N 34a_100000695699_100000731001 [0,1,0,0,0,0|2,0,1]=4 853 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,1,0,0,0,0|2,0,1]=4 854 B9R0.1 C=CC(C)SCCC(=O)N 62a_100011215867_100000744528 [0,1,0,0,0,0|2,0,1]=4 855 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,1,0,0,0,0|2,0,1]=4 856 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [0,1,0,0,0,0|2,0,1]=4 857 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [0,1,0,0,0,0|2,0,1]=4 858 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [0,1,0,0,0,0|2,0,1]=4 859 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [0,1,0,0,0,0|2,0,1]=4 860 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [0,1,0,0,0,0|2,0,1]=4 861 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,0|0,0,2]=3 862 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,0|2,0,1]=4 863 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,0|2,0,1]=4 864 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,0|1,0,2]=4 865 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|1,0,1]=3 866 B9R0.1 CC(=O)CCCN(C)N=O 1458a_200000076914_200000210301 [0,1,0,0,0,0|3,0,0]=4 867 B9R0.1 CC(=O)CCOC(C)C#N 7a_100000759926_100000703298 [0,1,0,0,0,0|2,0,1]=4 868 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,1,0,0,0,0|2,0,0]=3 869 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,0|2,0,0]=3 870 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000053229_100000703298 [0,1,0,0,0,0|2,0,1]=4 872 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000703298_100000053229 [0,1,0,0,0,0|2,0,1]=4 873 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,0|2,0,0]=3 874 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,0|2,0,0]=3 875 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,0|2,0,0]=3 876 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,0|3,0,0]=4 877 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,0|2,0,0]=3 878 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,0|3,0,0]=4 879 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,0|3,0,0]=4 880 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|2,0,0]=3 882 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|2,0,0]=3 883 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|2,0,1]=4 884 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,1,0,0,0,0|3,0,0]=4 885 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,0|3,0,0]=4 886 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,0|3,0,0]=4 887 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,0|3,0,0]=4 888 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,0|3,0,0]=4 889 B9R0.1 CC(C#N)NCCC(=O)N 2230a_100000737613_100000744528 [0,1,0,0,0,0|2,0,1]=4 890 B9R0.1 CC(C#N)NOCC(=O)O 269956a_100000106656_100000184139 [0,1,0,0,0,0|2,0,1]=4 891 B9R0.1 CC(C#N)OCCC(=O)N 34a_100011218135_100000731001 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.1 CC(C#N)OCCC(=O)N 7a_100000757172_100000703298 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.1 CC(C#N)SCCC(=O)N 62a_100000703298_100000744528 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.1 CC(C#N)SCCC(=O)N 62a_100000744528_100000703298 [0,1,0,0,0,0|2,0,1]=4 895 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,0|1,0,2]=4 896 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|1,0,0]=2 897 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|0,0,0]=1 898 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|1,0,1]=3 900 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|1,0,1]=3 901 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,0|1,0,0]=2 902 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,0|1,0,0]=2 903 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,1,0,0,0,0|2,0,1]=4 905 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,1,0,0,0,0|2,0,1]=4 906 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,1,0,0,0,0|2,0,1]=4 907 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,1,0,0,0,0|2,0,1]=4 908 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,1,0,0,0,0|2,0,1]=4 910 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,1,0,0,0,0|2,0,1]=4 911 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,1,0,0,0,0|1,0,2]=4 912 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,1,0,0,0,0|1,0,2]=4 913 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,1,0,0,0,0|2,0,1]=4 914 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,1,0,0,0,0|2,0,1]=4 915 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [0,1,0,0,0,0|2,0,1]=4 916 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [0,1,0,0,0,0|2,0,1]=4 917 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [0,1,0,0,0,0|2,0,1]=4 918 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [0,1,0,0,0,0|2,0,1]=4 919 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,1,0,0,0,0|1,0,2]=4 920 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,1,0,0,0,0|1,0,2]=4 921 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,1,0,0,0,0|1,0,2]=4 922 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,1,0,0,0,0|2,0,0]=3 923 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,0,0,0,0|1,0,2]=4 925 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,1,0,0,0,0|2,0,1]=4 926 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,0,0,0,0|1,0,2]=4 928 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,0,0,0,0|1,0,2]=4 929 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,0,0,0,0|1,0,2]=4 930 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,1,0,0,0,0|2,0,1]=4 931 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,1,0,0,0,0|2,0,1]=4 932 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,1,0,0,0,0|2,0,1]=4 933 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,1,0,0,0,0|2,0,1]=4 934 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,0,0,0,0|1,0,2]=4 935 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,0,0,0,0|1,0,2]=4 936 B9R0.1 CC(C)OCCC(=NO)N 34a_100000749954_100000210206 [0,1,0,0,0,0|2,0,0]=3 937 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,0|1,0,0]=2 938 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,0|1,0,0]=2 939 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,0|0,0,1]=2 940 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,1,0,0,0,0|2,0,0]=3 941 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,1,0,0,0,0|2,0,0]=3 942 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|2,0,0]=3 943 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|1,0,1]=3 944 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|2,0,1]=4 945 B9R0.1 CC(CN)COC[N+](=O)[O-] 34a_100000744482_100000761209 [0,1,0,0,0,0|2,0,1]=4 946 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|2,0,0]=3 947 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,1,0,0,0,0|2,0,1]=4 948 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|2,0,0]=3 950 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|1,0,1]=3 951 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|2,0,1]=4 952 B9R0.1 CC(CO)CNC[N+](=O)[O-] 34a_100000744482_100000761209 [0,1,0,0,0,0|2,0,1]=4 953 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,1,0,0,0,0|2,0,0]=3 954 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,1,0,0,0,0|2,0,0]=3 955 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,1,0,0,0,0|2,0,0]=3 956 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|1,0,0]=2 957 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,0|2,0,0]=3 958 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,0|2,0,0]=3 959 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,1,0,0,0,0|2,0,1]=4 960 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,1,0,0,0,0|2,0,1]=4 961 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,1,0,0,0,0|2,0,1]=4 962 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,1,0,0,0,0|2,0,1]=4 963 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,1,0,0,0,0|2,0,1]=4 964 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,1,0,0,0,0|2,0,1]=4 965 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,1,0,0,0,0|2,0,1]=4 966 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,1,0,0,0,0|2,0,1]=4 967 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,1,0,0,0,0|2,0,1]=4 968 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,1,0,0,0,0|2,0,1]=4 969 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,1,0,0,0,0|2,0,1]=4 970 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,1,0,0,0,0|3,0,0]=4 971 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,1,0,0,0,0|2,0,1]=4 972 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,1,0,0,0,0|2,0,1]=4 973 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,1,0,0,0,0|2,0,1]=4 974 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,0|1,0,2]=4 975 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|1,0,2]=4 976 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|2,0,1]=4 977 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,0|2,0,1]=4 978 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|1,0,0]=2 980 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|2,0,0]=3 981 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|2,0,0]=3 986 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|2,0,0]=3 987 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|3,0,0]=4 988 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|3,0,0]=4 989 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|2,0,0]=3 990 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|2,0,0]=3 991 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|3,0,0]=4 992 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|3,0,0]=4 993 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|3,0,0]=4 994 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|3,0,0]=4 995 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|2,0,0]=3 996 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|2,0,0]=3 999 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|3,0,0]=4 1000 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|3,0,0]=4 1001 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,0,0,0,0|3,0,0]=4 1002 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,0,0,0,0|3,0,0]=4 1003 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,0,0,0,0|3,0,0]=4 1004 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1005 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1006 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1007 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|2,0,0]=3 1008 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,0,0,0,0|2,0,0]=3 1009 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,0|1,0,0]=2 1011 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,0,0,0,0|2,0,1]=4 1014 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,0,0,0,0|2,0,1]=4 1015 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,0,0,0,0|2,0,1]=4 1016 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|2,0,0]=3 1017 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,0,0,0,0|2,0,0]=3 1018 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,0,0,0,0|2,0,0]=3 1019 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,0,0,0,0|1,0,1]=3 1020 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,0,0,0,0|1,0,1]=3 1021 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,0|2,0,1]=4 1023 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,0|2,0,1]=4 1024 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.1 CCC(C)CSC[N+](=O)[O-] 62a_100000748023_100000761209 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,0,0,0,0|2,0,0]=3 1027 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,0,0,0,0|2,0,0]=3 1030 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|2,0,0]=3 1031 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|2,0,0]=3 1032 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|2,0,0]=3 1033 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,0,0,0,0|2,0,0]=3 1034 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,0,0,0,0|2,0,0]=3 1035 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,0,0,0,0|2,0,0]=3 1036 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,0|2,0,1]=4 1037 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|2,0,0]=3 1038 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|2,0,0]=3 1039 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,0,0,0,0|2,0,0]=3 1040 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,0,0,0,0|2,0,0]=3 1041 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,0|2,0,1]=4 1042 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,0|2,0,1]=4 1043 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,0|3,0,0]=4 1044 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,0|3,0,0]=4 1045 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,0,0,0,0|3,0,0]=4 1047 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,0|2,0,0]=3 1048 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,0,0,0,0|2,0,1]=4 1049 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|3,0,0]=4 1053 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,0|2,0,1]=4 1054 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,1,0,0,0,0|3,0,0]=4 1055 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,1,0,0,0,0|3,0,0]=4 1056 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|2,0,0]=3 1061 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|2,0,0]=3 1062 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,1,0,0,0,0|2,0,0]=3 1063 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,0|1,0,0]=2 1064 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,1,0,0,0,0|3,0,0]=4 1065 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,1,0,0,0,0|3,0,0]=4 1066 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,1,0,0,0,0|2,0,1]=4 1067 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,0|3,0,0]=4 1069 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,0|3,0,0]=4 1070 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,0,0,0,0|2,0,0]=3 1075 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,0|1,0,0]=2 1076 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,0,0,0,0|2,0,1]=4 1078 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|2,0,0]=3 1079 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,0,0,0,0|2,0,0]=3 1080 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,0,0,0,0|2,0,0]=3 1083 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,0,0,0,0|2,0,0]=3 1084 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,0,0,0,0|1,0,1]=3 1085 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,0,0,0,0|1,0,1]=3 1086 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.1 CC[C@H](C)CSC[N+](=O)[O-] 62a_100009816398_100000761209 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,0|1,0,0]=2 1092 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,1,0,0,0,0|2,0,0]=3 1093 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,1,0,0,0,0|2,0,0]=3 1094 B9R0.1 CN(CCCC(=O)[13CH3])N=O 1458a_200000076914_200025704644 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,0,0,0,0|1,0,0]=2 1096 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,0|1,0,2]=4 1097 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 1098 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 1099 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|2,0,1]=4 1100 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|1,0,0]=2 1101 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1102 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1103 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 1104 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|2,0,0]=3 1105 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|2,0,0]=3 1106 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,0|2,0,0]=3 1107 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 1108 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,0|2,0,0]=3 1109 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 1110 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,0|2,0,0]=3 1111 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,0|2,0,0]=3 1112 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,0|2,0,0]=3 1113 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,0|2,0,0]=3 1114 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,0|2,0,0]=3 1115 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,0|2,0,0]=3 1116 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,0|2,0,0]=3 1117 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,0|2,0,0]=3 1118 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,0|2,0,0]=3 1120 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,0|2,0,0]=3 1121 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,0|2,0,0]=3 1122 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,0|2,0,0]=3 1123 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|3,0,0]=4 1124 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|3,0,0]=4 1125 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|3,0,0]=4 1126 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|3,0,0]=4 1127 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,0|3,0,0]=4 1128 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,0|2,0,0]=3 1129 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1130 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1131 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,0|2,0,0]=3 1132 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,0|2,0,0]=3 1133 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 1134 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,0|3,0,0]=4 1135 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|3,0,0]=4 1136 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,0|3,0,0]=4 1137 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,0|3,0,0]=4 1138 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|3,0,0]=4 1139 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,0|2,0,0]=3 1140 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,0|2,0,0]=3 1141 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|3,0,0]=4 1142 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|3,0,0]=4 1143 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|3,0,0]=4 1144 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|3,0,0]=4 1145 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|2,0,0]=3 1146 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|2,0,0]=3 1147 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|2,0,0]=3 1148 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|2,0,0]=3 1149 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|2,0,0]=3 1150 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|2,0,0]=3 1151 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|3,0,0]=4 1152 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|3,0,0]=4 1153 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|3,0,0]=4 1154 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|3,0,0]=4 1155 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,1,0,0,0,0|3,0,0]=4 1156 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,1,0,0,0,0|3,0,0]=4 1157 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,1,0,0,0,0|3,0,0]=4 1158 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,1,0,0,0,0|3,0,0]=4 1159 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,1,0,0,0,0|3,0,0]=4 1160 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,1,0,0,0,0|3,0,0]=4 1161 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,1,0,0,0,0|3,0,0]=4 1162 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,0,0,0,0|3,0,0]=4 1163 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,0|2,0,1]=4 1164 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|2,0,1]=4 1165 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|2,0,1]=4 1166 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,0|1,0,2]=4 1167 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,0|1,0,2]=4 1168 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,0,0,0,0|2,0,1]=4 1169 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|1,0,1]=3 1170 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|1,0,1]=3 1171 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|1,0,1]=3 1172 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,0|1,0,0]=2 1173 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,0|1,0,0]=2 1174 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,0|1,0,0]=2 1175 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,0|1,0,0]=2 1176 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|2,0,1]=4 1177 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,0|1,0,0]=2 1178 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,0|1,0,0]=2 1179 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,0|1,0,0]=2 1180 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,0|1,0,0]=2 1181 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,0|1,0,0]=2 1182 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,0|2,0,1]=4 1183 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,0|1,0,0]=2 1184 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,0|1,0,0]=2 1185 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|2,0,0]=3 1186 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,0]=3 1187 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,1,0,0,0,0|3,0,0]=4 1188 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,0|2,0,0]=3 1190 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,0|1,0,0]=2 1191 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,0|2,0,0]=3 1192 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,0|2,0,0]=3 1194 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,0|2,0,0]=3 1195 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,0|2,0,1]=4 1197 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,0|1,0,0]=2 1198 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,0|1,0,0]=2 1199 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|2,0,0]=3 1200 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|2,0,0]=3 1201 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,1,0,0,0,0|3,0,0]=4 1202 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,1,0,0,0,0|3,0,0]=4 1203 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|2,0,0]=3 1204 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|2,0,0]=3 1205 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,0|2,0,0]=3 1206 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,0|0,0,1]=2 1209 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|1,0,1]=3 1210 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|1,0,1]=3 1211 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,1,0,0,0,0|2,0,0]=3 1213 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,1,0,0,0,0|1,0,1]=3 1214 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,1,0,0,0,0|2,0,1]=4 1217 B9R0.1 COC(C)COC[N+](=O)[O-] 34a_100000690652_100000761209 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,1,0,0,0,0|2,0,0]=3 1219 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,0|2,0,0]=3 1220 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,0|2,0,0]=3 1221 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,1,0,0,0,0|2,0,0]=3 1222 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,1,0,0,0,0|2,0,0]=3 1223 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,1,0,0,0,0|2,0,1]=4 1224 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,1,0,0,0,0|2,0,1]=4 1225 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,1,0,0,0,0|2,0,1]=4 1226 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,1,0,0,0,0|2,0,1]=4 1227 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,0|3,0,0]=4 1228 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,0|3,0,0]=4 1229 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,1,0,0,0,0|2,0,0]=3 1230 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,1,0,0,0,0|2,0,1]=4 1231 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,1,0,0,0,0|2,0,1]=4 1232 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [0,1,0,0,0,0|2,0,1]=4 1233 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [0,1,0,0,0,0|2,0,1]=4 1234 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,1,0,0,0,0|2,0,0]=3 1235 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,0|1,0,0]=2 1236 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,1,0,0,0,0|2,0,0]=3 1237 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,1,0,0,0,0|2,0,0]=3 1238 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,1,0,0,0,0|1,0,1]=3 1239 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,1,0,0,0,0|1,0,1]=3 1240 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,1,0,0,0,0|2,0,1]=4 1241 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.1 C[C@@H](CO)CSC[N+](=O)[O-] 62a_100000059175_100000761209 [0,1,0,0,0,0|2,0,1]=4 1243 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,1,0,0,0,0|2,0,0]=3 1244 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,1,0,0,0,0|2,0,0]=3 1245 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,1,0,0,0,0|2,0,0]=3 1246 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,1,0,0,0,0|2,0,0]=3 1247 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,0,0,0,0|2,0,1]=4 1248 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,1,0,0,0,0|3,0,0]=4 1249 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,1,0,0,0,0|3,0,0]=4 1250 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,1,0,0,0,0|3,0,0]=4 1253 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,1,0,0,0,0|3,0,0]=4 1254 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,1,0,0,0,0|3,0,0]=4 1255 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,1,0,0,0,0|3,0,0]=4 1260 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,1,0,0,0,0|3,0,0]=4 1261 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,1,0,0,0,0|2,0,1]=4 1262 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,0,0,0,0|2,0,0]=3 1263 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,0,0,0,0|2,0,0]=3 1264 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,1,0,0,0,0|2,0,1]=4 1266 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,1,0,0,0,0|2,0,1]=4 1267 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,1,0,0,0,0|2,0,1]=4 1268 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,1,0,0,0,0|2,0,1]=4 1269 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100015614560_100020667443 [0,1,0,0,0,0|2,0,1]=4 1270 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100020667443_100015614560 [0,1,0,0,0,0|2,0,1]=4 1271 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,1,0,0,0,0|2,0,1]=4 1272 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,1,0,0,0,0|2,0,1]=4 1273 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,0|2,0,1]=4 1274 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,1,0,0,0,0|3,0,0]=4 1275 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,0|2,0,1]=4 1276 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,0|2,0,1]=4 1277 B9R0.7 C=C(C)CCC(C)N(C)C 270004a_100102631434_100011215600 [0,1,0,0,0,0|3,0,0]=4 1278 B9R0.7 C=C(C)CCN(C)C(C)C 269982a_200000211004_100000730704 [0,1,0,0,0,0|3,0,0]=4 1279 B9R0.7 C=C(C)CNC(C)C(C)C 2230a_100000211541_100000748629 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,1,0,0,0,0|1,0,2]=4 1281 B9R0.7 C=C(C)COC(C)C(C)C 7a_100000748068_100000748629 [0,1,0,0,0,0|3,0,0]=4 1282 B9R0.7 C=C(F)CNC(C)C(C)C 2230a_100000211541_100009893438 [0,1,0,0,0,0|3,0,0]=4 1283 B9R0.7 C=C(F)COC(C)C(C)C 7a_100000748068_100000042424 [0,1,0,0,0,0|3,0,0]=4 1284 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|2,0,1]=4 1285 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|2,0,1]=4 1286 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|2,0,1]=4 1287 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|2,0,1]=4 1288 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|2,0,1]=4 1289 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,0|1,0,0]=2 1290 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,0,0,0,0|2,0,0]=3 1291 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,0,0,0,0|2,0,0]=3 1292 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,0|2,0,1]=4 1293 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,0,0,0,0|2,0,0]=3 1294 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,0|3,0,0]=4 1295 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,0,0,0,0|2,0,0]=3 1296 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,0|3,0,0]=4 1297 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,0|3,0,0]=4 1298 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,0,0,0,0|2,0,0]=3 1299 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,0,0,0,0|2,0,0]=3 1300 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,0|3,0,0]=4 1302 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,0|3,0,0]=4 1303 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,0|3,0,0]=4 1304 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|2,0,1]=4 1305 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,0|2,0,0]=3 1306 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,0|2,0,0]=3 1307 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,0|2,0,1]=4 1308 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,0|2,0,1]=4 1309 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 1310 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 1311 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 1312 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,0|2,0,0]=3 1313 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,1,0,0,0,0|3,0,0]=4 1314 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,0|2,0,1]=4 1316 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,1,0,0,0,0|2,0,0]=3 1317 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,1,0,0,0,0|2,0,0]=3 1318 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,1,0,0,0,0|2,0,0]=3 1319 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,0|2,0,1]=4 1320 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,0|2,0,1]=4 1323 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.7 CC(Br)COC(F)C(=O)N 34a_100012180447_100009813875 [0,1,0,0,0,0|3,0,0]=4 1325 B9R0.7 CC(Br)COC(F)C(=O)[O-] 34a_100012180447_100020610796 [0,1,0,0,0,0|2,0,1]=4 1326 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,0|1,0,1]=3 1327 B9R0.7 CC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210206 [0,1,0,0,0,0|1,0,2]=4 1328 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,0|2,0,1]=4 1329 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1330 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1331 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,1,0,0,0,0|2,0,1]=4 1332 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,1,0,0,0,0|2,0,0]=3 1334 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,1,0,0,0,0|2,0,0]=3 1336 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [0,1,0,0,0,0|2,0,1]=4 1337 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,1,0,0,0,0|0,0,3]=4 1338 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|1,0,2]=4 1339 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|1,0,2]=4 1340 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [0,1,0,0,0,0|3,0,0]=4 1341 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [0,1,0,0,0,0|3,0,0]=4 1342 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [0,1,0,0,0,0|3,0,0]=4 1343 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,1,0,0,0,0|2,0,1]=4 1344 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|2,0,1]=4 1345 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,1,0,0,0,0|2,0,0]=3 1346 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,1,0,0,0,0|2,0,0]=3 1347 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,1,0,0,0,0|2,0,0]=3 1348 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,1,0,0,0,0|2,0,0]=3 1349 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,1,0,0,0,0|1,0,1]=3 1350 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,0|1,0,0]=2 1351 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,1,0,0,0,0|2,0,0]=3 1352 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,1,0,0,0,0|2,0,0]=3 1353 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,1,0,0,0,0|2,0,0]=3 1354 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,1,0,0,0,0|2,0,0]=3 1355 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,1,0,0,0,0|2,0,0]=3 1356 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,1,0,0,0,0|1,0,1]=3 1357 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,1,0,0,0,0|1,0,1]=3 1358 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,1,0,0,0,0|2,0,0]=3 1359 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,1,0,0,0,0|2,0,0]=3 1360 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,1,0,0,0,0|2,0,0]=3 1361 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,1,0,0,0,0|2,0,0]=3 1362 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,1,0,0,0,0|2,0,0]=3 1363 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,1,0,0,0,0|2,0,0]=3 1364 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,1,0,0,0,0|1,0,1]=3 1365 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,1,0,0,0,0|1,0,1]=3 1366 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100000730477_100000210206 [0,1,0,0,0,0|2,0,0]=3 1367 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100011191440_200000210301 [0,1,0,0,0,0|2,0,0]=3 1368 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_100011191440_200000210301 [0,1,0,0,0,0|2,0,0]=3 1369 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_200000211004_100000744528 [0,1,0,0,0,0|2,0,0]=3 1370 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,0|2,0,0]=3 1371 B9R0.7 CC(C)N([13CH3])CCC(=O)N 2230a_100011191440_200025704644 [0,1,0,0,0,0|2,0,0]=3 1372 B9R0.7 CC(C)N([13CH3])CCC(=O)N 269982a_100011191440_200025704644 [0,1,0,0,0,0|2,0,0]=3 1373 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,0|1,0,0]=2 1374 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,0|1,0,0]=2 1375 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100000210206 [0,1,0,0,0,0|2,0,1]=4 1376 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000210206 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,0|2,0,0]=3 1378 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,1,0,0,0,0|3,0,0]=4 1379 B9R0.7 CC(F)COC(F)C(=O)N 34a_100015925927_100009813875 [0,1,0,0,0,0|3,0,0]=4 1380 B9R0.7 CC(F)COC(F)C(=O)[O-] 34a_100015925927_100020610796 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,0,0,0,0|1,0,2]=4 1382 B9R0.7 CC(O)CCN(C)C(C)C 269982a_200000211004_100012276601 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,1,0,0,0,0|3,0,0]=4 1384 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,1,0,0,0,0|3,0,0]=4 1385 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 1387 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,1,0,0,0,0|3,0,0]=4 1388 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,1,0,0,0,0|2,0,1]=4 1389 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,0,0,0,0|2,0,0]=3 1390 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,1,0,0,0,0|3,0,0]=4 1391 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,1,0,0,0,0|3,0,0]=4 1392 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,1,0,0,0,0|3,0,0]=4 1395 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,1,0,0,0,0|3,0,0]=4 1396 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,1,0,0,0,0|3,0,0]=4 1397 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,1,0,0,0,0|3,0,0]=4 1398 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,1,0,0,0,0|3,0,0]=4 1399 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,1,0,0,0,0|3,0,0]=4 1400 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,1,0,0,0,0|2,0,1]=4 1401 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,1,0,0,0,0|2,0,1]=4 1402 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,1,0,0,0,0|3,0,0]=4 1403 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,1,0,0,0,0|3,0,0]=4 1404 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,1,0,0,0,0|3,0,0]=4 1405 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,1,0,0,0,0|3,0,0]=4 1406 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|2,0,1]=4 1409 B9R0.7 C[C@@H](Cl)COC(F)C(=O)N 34a_100016084084_100009813875 [0,1,0,0,0,0|3,0,0]=4 1410 B9R0.7 C[C@@H](Cl)COC(F)C(=O)[O-] 34a_100016084084_100020610796 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.7 C[C@@H](N)COC(F)C(=O)N 34a_100000737577_100009813875 [0,1,0,0,0,0|3,0,0]=4 1412 B9R0.7 C[C@@H](N)COC(F)C(=O)[O-] 34a_100000737577_100020610796 [0,1,0,0,0,0|2,0,1]=4 1413 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,1,0,0,0,0|3,0,0]=4 1414 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,1,0,0,0,0|3,0,0]=4 1415 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,1,0,0,0,0|3,0,0]=4 1416 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,1,0,0,0,0|3,0,0]=4 1417 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,1,0,0,0,0|3,0,0]=4 1418 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,1,0,0,0,0|3,0,0]=4 1419 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,1,0,0,0,0|2,0,1]=4 1420 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,1,0,0,0,0|2,0,1]=4 1421 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,1,0,0,0,0|3,0,0]=4 1422 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,0,0,0,0|2,0,0]=3 1423 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,1,0,0,0,0|2,0,1]=4 1424 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,0|2,0,1]=4 1425 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,1,0,0,0,0|1,0,2]=4 1426 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [0,1,0,0,0,0|3,0,0]=4 1427 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [0,1,0,0,0,0|3,0,0]=4 1428 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [0,1,0,0,0,0|3,0,0]=4 1429 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [0,1,0,0,0,0|3,0,0]=4 1430 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [0,1,0,0,0,0|3,0,0]=4 1431 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,1,0,0,0,0|2,0,1]=4 1432 B9R0.53 C=C(F)CN(C)CC(C)C 2230a_100000747067_100009893438 [0,1,0,0,0,0|3,0,0]=4 1433 B9R0.53 C=C(F)CN(C)CC(C)C 269982a_100000747067_100009893438 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,0|2,0,1]=4 1435 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,0|2,0,1]=4 1436 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,0|2,0,0]=3 1437 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,0|2,0,0]=3 1438 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,0|2,0,0]=3 1439 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,0|2,0,0]=3 1440 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,1,0,0,0,0|3,0,0]=4 1441 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,1,0,0,0,0|3,0,0]=4 1442 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,1,0,0,0,0|3,0,0]=4 1444 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,1,0,0,0,0|3,0,0]=4 1445 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,0|1,0,1]=3 1446 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,0|1,0,1]=3 1447 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,0|0,0,2]=3 1448 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,0,0|1,0,2]=4 1449 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,0,0|1,0,2]=4 1450 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,1,0,0,0,0|1,0,2]=4 1451 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,1,0,0,0,0|2,0,0]=3 1452 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,1,0,0,0,0|2,0,0]=3 1453 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,1,0,0,0,0|2,0,0]=3 1454 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,1,0,0,0,0|2,0,0]=3 1455 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,0|1,0,0]=2 1456 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,1,0,0,0,0|1,0,1]=3 1457 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [0,1,0,0,0,0|2,0,1]=4 1458 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [0,1,0,0,0,0|2,0,1]=4 1459 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [0,1,0,0,0,0|2,0,1]=4 1460 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [0,1,0,0,0,0|2,0,1]=4 1461 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [0,1,0,0,0,0|2,0,1]=4 1462 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [0,1,0,0,0,0|2,0,1]=4 1463 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.53 CC(C)CN(C)C[N+](=O)[O-] 269982a_100000747067_100000761209 [0,1,0,0,0,0|2,0,1]=4 1465 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,1,0,0,0,0|3,0,0]=4 1469 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,1,0,0,0,0|3,0,0]=4 1470 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,1,0,0,0,0|3,0,0]=4 1471 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,1,0,0,0,0|2,0,0]=3 1472 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,1,0,0,0,0|2,0,1]=4 1473 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,1,0,0,0,0|2,0,1]=4 1474 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,1,0,0,0,0|1,0,2]=4 1475 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [0,1,0,0,0,0|3,0,0]=4 1476 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,1,0,0,0,0|2,0,1]=4 1477 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,1,0,0,0,0|1,0,2]=4 1478 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,1,0,0,0,0|3,0,0]=4 1479 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,1,0,0,0,0|2,0,0]=3 1480 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,1,0,0,0,0|2,0,1]=4 1481 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,1,0,0,0,0|1,0,2]=4 1482 B9R0.56 C=C(Br)CCOC(C)(C)C 34a_100009813270_100000210625 [0,1,0,0,0,0|3,0,0]=4 1483 B9R0.56 C=C(C)CCNC(C)(C)C 2230a_100000715429_100000730704 [0,1,0,0,0,0|3,0,0]=4 1484 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100000764851_100000210625 [0,1,0,0,0,0|3,0,0]=4 1485 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100015890283_100000730704 [0,1,0,0,0,0|3,0,0]=4 1486 B9R0.56 C=C(C)CCOC(C)(C)C 7a_100015890283_100000730704 [0,1,0,0,0,0|3,0,0]=4 1487 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000211941_100000730704 [0,1,0,0,0,0|3,0,0]=4 1488 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000730704_100000211941 [0,1,0,0,0,0|3,0,0]=4 1489 B9R0.56 C=C(C)CNCC(C)(C)C 2230a_100000743828_100000748629 [0,1,0,0,0,0|3,0,0]=4 1490 B9R0.56 C=C(C)CNCC(C)(C)F 2230a_100020643315_100000748629 [0,1,0,0,0,0|3,0,0]=4 1491 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [0,1,0,0,0,0|3,0,0]=4 1492 B9R0.56 C=C(C)COCC(C)(C)C 34a_100000210245_100011219605 [0,1,0,0,0,0|3,0,0]=4 1493 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000210245_100011997219 [0,1,0,0,0,0|3,0,0]=4 1494 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000716592_100000748629 [0,1,0,0,0,0|3,0,0]=4 1495 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [0,1,0,0,0,0|3,0,0]=4 1496 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100000748629_100011219605 [0,1,0,0,0,0|3,0,0]=4 1497 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100011219605_100000211660 [0,1,0,0,0,0|3,0,0]=4 1498 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100000748629_100011997219 [0,1,0,0,0,0|3,0,0]=4 1499 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100011997219_100000211660 [0,1,0,0,0,0|3,0,0]=4 1500 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [0,1,0,0,0,0|3,0,0]=4 1501 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [0,1,0,0,0,0|3,0,0]=4 1502 B9R0.56 C=C(F)CNCC(C)(C)C 2230a_100000743828_100009893438 [0,1,0,0,0,0|3,0,0]=4 1503 B9R0.56 C=C(F)CNCC(C)(C)F 2230a_100020643315_100009893438 [0,1,0,0,0,0|3,0,0]=4 1504 B9R0.56 C=C(F)CNCC(C)(C)O 2230a_100000751335_100009893438 [0,1,0,0,0,0|3,0,0]=4 1505 B9R0.56 C=C(F)COCC(C)(C)C 34a_200010262243_100011219605 [0,1,0,0,0,0|3,0,0]=4 1506 B9R0.56 C=C(F)COCC(C)(C)F 34a_100000716592_100009893438 [0,1,0,0,0,0|3,0,0]=4 1507 B9R0.56 C=C(F)COCC(C)(C)F 34a_200010262243_100011997219 [0,1,0,0,0,0|3,0,0]=4 1508 B9R0.56 C=C(F)COCC(C)(C)O 34a_200010262243_100000764493 [0,1,0,0,0,0|3,0,0]=4 1509 B9R0.56 C=C(F)CSCC(C)(C)C 62a_100000042424_100011219605 [0,1,0,0,0,0|3,0,0]=4 1510 B9R0.56 C=C(F)CSCC(C)(C)C 62a_100011219605_100000042424 [0,1,0,0,0,0|3,0,0]=4 1511 B9R0.56 C=C(F)CSCC(C)(C)F 62a_100000042424_100011997219 [0,1,0,0,0,0|3,0,0]=4 1512 B9R0.56 C=C(F)CSCC(C)(C)F 62a_100011997219_100000042424 [0,1,0,0,0,0|3,0,0]=4 1513 B9R0.56 C=C(F)CSCC(C)(C)O 62a_100000042424_100000764493 [0,1,0,0,0,0|3,0,0]=4 1514 B9R0.56 C=C(F)CSCC(C)(C)O 62a_100000764493_100000042424 [0,1,0,0,0,0|3,0,0]=4 1515 B9R0.56 CC(=O)CCCC(F)(F)F 1458a_100000070787_100011216173 [0,1,0,0,0,0|3,0,0]=4 1516 B9R0.56 CC(=O)CCCC(F)(F)F 1458a_100000764234_200000210301 [0,1,0,0,0,0|3,0,0]=4 1517 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [0,1,0,0,0,0|3,0,0]=4 1518 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,1,0,0,0,0|2,0,0]=3 1519 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,1,0,0,0,0|2,0,0]=3 1520 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,1,0,0,0,0|1,1,0]=3 1521 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,1,0,0,0,0|2,0,0]=3 1522 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,1,0,0,0,0|2,0,0]=3 1523 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [0,1,0,0,0,0|2,1,0]=4 1524 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,1,0,0,0,0|2,0,0]=3 1525 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,1,0,0,0,0|2,0,0]=3 1526 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [0,1,0,0,0,0|2,0,0]=3 1527 B9R0.56 CC(=O)COCC(C)(C)F 34a_100000211253_100011997219 [0,1,0,0,0,0|2,0,0]=3 1528 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,1,0,0,0,0|2,0,0]=3 1529 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,1,0,0,0,0|2,0,0]=3 1530 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,1,0,0,0,0|2,0,0]=3 1531 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,1,0,0,0,0|2,0,0]=3 1532 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,1,0,0,0,0|2,0,0]=3 1533 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,1,0,0,0,0|2,0,0]=3 1534 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,1,0,0,0,0|2,0,0]=3 1535 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,1,0,0,0,0|2,0,0]=3 1536 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,1,0,0,0,0|2,0,0]=3 1537 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,1,0,0,0,0|2,0,0]=3 1538 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,1,0,0,0,0|2,0,0]=3 1539 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,1,0,0,0,0|3,0,0]=4 1540 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,1,0,0,0,0|3,0,0]=4 1541 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,1,0,0,0,0|3,0,0]=4 1542 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,1,0,0,0,0|3,0,0]=4 1543 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,1,0,0,0,0|3,0,0]=4 1544 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,1,0,0,0,0|3,0,0]=4 1545 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [0,1,0,0,0,0|2,0,0]=3 1546 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,1,0,0,0,0|1,0,0]=2 1547 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [0,1,0,0,0,0|2,0,0]=3 1548 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [0,1,0,0,0,0|2,0,0]=3 1549 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [0,1,0,0,0,0|1,0,1]=3 1550 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [0,1,0,0,0,0|1,0,1]=3 1551 B9R0.56 CC(C)(C)CSC[N+](=O)[O-] 62a_100011219605_100000761209 [0,1,0,0,0,0|2,0,1]=4 1552 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [0,1,0,0,0,0|2,0,0]=3 1553 B9R0.56 CC(C)(C)NOCC(=O)O 269956a_100000106656_100000211941 [0,1,0,0,0,0|2,0,0]=3 1554 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [0,1,0,0,0,0|2,0,0]=3 1555 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [0,1,0,0,0,0|2,0,0]=3 1556 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [0,1,0,0,0,0|2,0,0]=3 1557 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [0,1,0,0,0,0|2,0,0]=3 1558 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [0,1,0,0,0,0|2,0,0]=3 1559 B9R0.56 CC(C)(F)CNCC(=O)N 2230a_100020643315_100000747473 [0,1,0,0,0,0|2,0,0]=3 1560 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,1,0,0,0,0|1,0,0]=2 1561 B9R0.56 CC(C)(F)COCC(=O)N 34a_100000716592_100000187820 [0,1,0,0,0,0|2,0,0]=3 1562 B9R0.56 CC(C)(F)COCC(=O)[O-] 34a_100000716592_100020667443 [0,1,0,0,0,0|1,0,1]=3 1563 B9R0.56 CC(C)(F)COC[N+](=O)[O-] 34a_100000716592_100000761209 [0,1,0,0,0,0|2,0,1]=4 1564 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100000747473_100011997219 [0,1,0,0,0,0|2,0,0]=3 1565 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100011997219_100000747473 [0,1,0,0,0,0|2,0,0]=3 1566 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100011997219_100020667443 [0,1,0,0,0,0|1,0,1]=3 1567 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100020667443_100011997219 [0,1,0,0,0,0|1,0,1]=3 1568 B9R0.56 CC(C)(F)CSC[N+](=O)[O-] 62a_100011997219_100000761209 [0,1,0,0,0,0|2,0,1]=4 1569 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,1,0,0,0,0|2,0,0]=3 1570 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,1,0,0,0,0|1,0,0]=2 1571 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000747473_100000764493 [0,1,0,0,0,0|2,0,0]=3 1572 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000764493_100000747473 [0,1,0,0,0,0|2,0,0]=3 1573 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [0,1,0,0,0,0|1,0,1]=3 1574 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [0,1,0,0,0,0|1,0,1]=3 1575 B9R0.56 CC(C)(O)CSC[N+](=O)[O-] 62a_100000764493_100000761209 [0,1,0,0,0,0|2,0,1]=4 1576 B9R0.56 CC(C)CCNS(=O)(=O)C 40a_100000210545_100000738038 [0,1,0,0,0,0|2,0,1]=4 1577 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [0,1,0,0,0,0|2,0,1]=4 1578 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [0,1,0,0,0,0|2,0,1]=4 1579 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [0,1,0,0,0,0|2,0,1]=4 1580 B9R0.56 CC(C)CNCS(=O)(=O)[O-] 34a_100000210953_100009817235 [0,1,0,0,0,0|2,0,1]=4 1581 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [0,1,0,0,0,0|2,0,1]=4 1582 B9R0.56 CC(C)COCS(=O)(=O)[O-] 34a_100000210257_100009817235 [0,1,0,0,0,0|2,0,1]=4 1583 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [0,1,0,0,0,0|2,0,1]=4 1584 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [0,1,0,0,0,0|2,0,1]=4 1585 B9R0.56 CC(C)CSCS(=O)(=O)N 62a_100000210624_100000741382 [0,1,0,0,0,0|2,0,1]=4 1586 B9R0.56 CC(C)CSCS(=O)(=O)N 62a_100000741382_100000210760 [0,1,0,0,0,0|2,0,1]=4 1587 B9R0.56 CC(C)CSCS(=O)(=O)[O-] 62a_100000210624_100009817235 [0,1,0,0,0,0|2,0,1]=4 1588 B9R0.56 CC(C)CSCS(=O)(=O)[O-] 62a_100009817235_100000210760 [0,1,0,0,0,0|2,0,1]=4 1589 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [0,1,0,0,0,0|2,0,1]=4 1590 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [0,1,0,0,0,0|2,0,1]=4 1591 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100000740961_100000210206 [0,1,0,0,0,0|2,0,1]=4 1592 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100138425928_100000731031 [0,1,0,0,0,0|2,0,1]=4 1593 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100000740961_100000210206 [0,1,0,0,0,0|2,0,1]=4 1594 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100138425928_100000731031 [0,1,0,0,0,0|2,0,1]=4 1595 B9R0.56 CC(C)NCCS(=O)(=O)N 2230a_100000738205_100000210206 [0,1,0,0,0,0|2,0,1]=4 1596 B9R0.56 CC(C)NCCS(=O)(=O)N 34a_100000738205_100000210206 [0,1,0,0,0,0|2,0,1]=4 1597 B9R0.56 CC(C)NCCS(=O)(=O)[O-] 2230a_100138425928_100000737633 [0,1,0,0,0,0|2,0,1]=4 1598 B9R0.56 CC(C)NCCS(=O)(=O)[O-] 34a_100138425928_100000762736 [0,1,0,0,0,0|2,0,1]=4 1599 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,1,0,0,0,0|2,0,1]=4 1600 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000211924_100000210206 [0,1,0,0,0,0|2,0,1]=4 1601 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000212225_100000731031 [0,1,0,0,0,0|2,0,1]=4 1602 B9R0.56 CC(C)OCCS(=O)(=O)C 7a_100000211924_100000210206 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.56 CC(C)OCCS(=O)(=O)N 34a_100012334274_100000210206 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.56 CC(C)OCCS(=O)(=O)[O-] 34a_100000212225_100000762736 [0,1,0,0,0,0|2,0,1]=4 1605 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [0,1,0,0,0,0|2,0,1]=4 1606 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [0,1,0,0,0,0|2,0,1]=4 1607 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000210206_100000230027 [0,1,0,0,0,0|2,0,1]=4 1608 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000731031_100000210206 [0,1,0,0,0,0|2,0,1]=4 1609 B9R0.56 CC(C)SCCS(=O)(=O)[O-] 62a_100000210206_100000762736 [0,1,0,0,0,0|2,0,1]=4 1610 B9R0.56 CC(C)SCCS(=O)(=O)[O-] 62a_100000762736_100000210206 [0,1,0,0,0,0|2,0,1]=4 1611 B9R0.56 CC(F)(F)COCC(=O)N 34a_100000068830_100000187820 [0,1,0,0,0,0|3,0,0]=4 1612 B9R0.56 CC(F)(F)COCC(=O)[O-] 34a_100000068830_100020667443 [0,1,0,0,0,0|2,0,1]=4 1613 B9R0.56 CC(O)CCNC(C)(C)C 2230a_100000715429_100012276601 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.56 CC(O)CCOC(C)(C)C 34a_100015890283_100012276601 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.56 CC(O)CCOC(C)(C)C 7a_100015890283_100012276601 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.56 CC(O)CCSC(C)(C)C 62a_100000211941_100012276601 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.56 CC(O)CCSC(C)(C)C 62a_100012276601_100000211941 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.56 CC(O)CNCC(C)(C)C 2230a_100000743828_100011218427 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.56 CC(O)CNCC(C)(C)C 270004a_100000210904_100011204126 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.56 CC(O)CNCC(C)(C)C 34a_100000210904_100011219605 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.56 CC(O)CNCC(C)(C)F 2230a_100020643315_100011218427 [0,1,0,0,0,0|2,0,1]=4 1622 B9R0.56 CC(O)CNCC(C)(C)F 34a_100000210904_100011997219 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.56 CC(O)CNCC(C)(C)O 2230a_100000751335_100011218427 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.56 CC(O)CNCC(C)(C)O 34a_100000210904_100000764493 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.56 CC(O)COCC(C)(C)F 34a_100000716592_100011218427 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011218427_100011219605 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011219605_100011218427 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011218427_100011997219 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011997219_100011218427 [0,1,0,0,0,0|2,0,1]=4 1630 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.56 CN(C)CCCS(=O)(=O)C 2230a_100102631434_100000754308 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.56 CN(C)CCCS(=O)(=O)C 269982a_100102631434_100000754308 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.56 CN(C)CCCS(=O)(=O)N 2230a_100102631434_100000750626 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.56 CN(C)CCCS(=O)(=O)N 269982a_100102631434_100000750626 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.56 CN(C)CCCS(=O)(=O)[O-] 269982a_100102631434_100009813499 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.56 C[C@@H](O)CNCC(C)(C)C 2230a_100000743828_100009817552 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2230a_100020643315_100009817552 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2230a_100000751335_100009817552 [0,1,0,0,0,0|2,0,1]=4 1642 B9R0.56 C[C@@H](O)COCC(C)(C)F 34a_100000716592_100009817552 [0,1,0,0,0,0|2,0,1]=4 1643 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100009817552_100011219605 [0,1,0,0,0,0|2,0,1]=4 1644 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100011219605_100009817552 [0,1,0,0,0,0|2,0,1]=4 1645 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100009817552_100011997219 [0,1,0,0,0,0|2,0,1]=4 1646 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100011997219_100009817552 [0,1,0,0,0,0|2,0,1]=4 1647 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [0,1,0,0,0,0|2,0,1]=4 1648 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [0,1,0,0,0,0|2,0,1]=4 1649 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,1,0,0,0,0|2,0,0]=3 1650 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [0,1,0,0,0,0|2,0,0]=3 1651 B9R0.56 C[N+](C)(C)CSCC(=O)N 62a_100000747473_200000036245 [0,1,0,0,0,0|3,0,0]=4 1652 B9R0.56 C[N+](C)(C)CSCC(=O)N 62a_200000036245_100000747473 [0,1,0,0,0,0|3,0,0]=4 1653 B9R0.56 C[N+](C)(C)CSCC(=O)[O-] 62a_100020667443_200000036245 [0,1,0,0,0,0|2,0,1]=4 1654 B9R0.56 C[N+](C)(C)CSCC(=O)[O-] 62a_200000036245_100020667443 [0,1,0,0,0,0|2,0,1]=4 1655 B9R0.56 C[Si](C)(C)CNCC(=O)N 2230a_100000711301_100000037933 [0,1,0,0,0,0|2,1,0]=4 1656 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [0,1,0,0,0,0|1,1,0]=3 1657 B9R0.56 C[Si](C)(C)CSCC(=O)N 62a_100000037933_100000747473 [0,1,0,0,0,0|2,1,0]=4 1658 B9R0.56 C[Si](C)(C)CSCC(=O)N 62a_100000747473_100000037933 [0,1,0,0,0,0|2,1,0]=4 1659 B9R0.56 C[Si](C)(C)CSCC(=O)[O-] 62a_100000037933_100020667443 [0,1,0,0,0,0|1,1,1]=4 1660 B9R0.56 C[Si](C)(C)CSCC(=O)[O-] 62a_100020667443_100000037933 [0,1,0,0,0,0|1,1,1]=4 1661 B9R0.56 O=C(O)CNCC(F)(F)F 269956a_100016091260_100000763148 [0,1,0,0,0,0|3,0,0]=4 1662 B9R0.56 [13CH3]C(=O)CCCC(F)(F)F 1458a_100000764234_200025704644 [0,1,0,0,0,0|3,0,0]=4 1663 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,0|2,0,1]=4 1664 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|2,0,0]=3 1665 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|2,0,0]=3 1666 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,0|3,0,0]=4 1667 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,0|3,0,0]=4 1668 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1669 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1670 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1671 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,0|3,0,0]=4 1672 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|2,0,0]=3 1673 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|2,0,0]=3 1674 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|2,0,0]=3 1675 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,0|1,0,1]=3 1676 B9R1.35 CC(C)N1CCC(C1)O 2230a_100011215560_100000210206 [0,0,0,1,0,0|2,0,1]=4 1677 B9R1.35 CC(C)N1CCC(C1)O 269982a_100011215560_100000210206 [0,0,0,1,0,0|2,0,1]=4 1678 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,0,0,1,0,0|3,0,0]=4 1679 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [0,0,0,1,0,0|3,0,0]=4 1680 B9R1.35 CN(C)C1CCC(C1)O 270004a_100102631434_100012614533 [0,0,0,1,0,0|2,0,1]=4 1681 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,1,0,0|2,0,0]=3 1682 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,1,0,0|2,0,0]=3 1683 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,1,0,0|2,0,0]=3 1684 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|2,0,0]=3 1685 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,0|2,0,1]=4 1686 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|2,0,0]=3 1687 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,0|1,0,1]=3 1688 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,1,0,0|2,0,0]=3 1689 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,1,0,0|2,0,0]=3 1690 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,1,0,0|2,0,0]=3 1691 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,0,0,1,0,0|3,0,0]=4 1692 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,0,0,1,0,0|3,0,0]=4 1693 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,0,0,1,0,0|3,0,0]=4 1694 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,0,0,1,0,0|2,0,1]=4 1695 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 1696 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 1697 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 1698 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 1699 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 1700 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 1701 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,0,1,0,0|2,0,1]=4 1702 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,0,1,0,0|2,0,1]=4 1703 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 1704 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 1705 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,0,1,0,0|2,0,1]=4 1706 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,0,1,0,0|2,0,1]=4 1707 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 1708 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 1709 B9R1.53 C=C(C)CN1CC(C1)C 2230a_100000702820_100000748629 [0,0,0,1,0,0|3,0,0]=4 1710 B9R1.53 C=C(C)CN1CC(C1)C 269982a_100000702820_100000748629 [0,0,0,1,0,0|3,0,0]=4 1711 B9R1.53 C=C(C)CN1CC(C1)C 34a_100000702820_100000748629 [0,0,0,1,0,0|3,0,0]=4 1712 B9R1.53 C=C(F)CN1CC(C1)C 2230a_100000702820_100009893438 [0,0,0,1,0,0|3,0,0]=4 1713 B9R1.53 C=C(F)CN1CC(C1)C 269982a_100000702820_100009893438 [0,0,0,1,0,0|3,0,0]=4 1714 B9R1.53 C=C(F)CN1CC(C1)C 34a_100000702820_100009893438 [0,0,0,1,0,0|3,0,0]=4 1715 B9R1.53 C=C1CC(C1)NC(C)C 2230a_100132301982_100000210206 [0,0,0,1,0,0|3,0,0]=4 1716 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,0,0,1,0,0|2,0,1]=4 1717 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,0,0,1,0,0|3,0,0]=4 1718 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,0,0,1,0,0|3,0,0]=4 1719 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,0,0,1,0,0|3,0,0]=4 1720 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,0,0,1,0,0|3,0,0]=4 1721 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,0,0,1,0,0|3,0,0]=4 1722 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,0,0,1,0,0|3,0,0]=4 1723 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,0,0,1,0,0|3,0,0]=4 1724 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,0,0,1,0,0|3,0,0]=4 1725 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,0,0,1,0,0|3,0,0]=4 1726 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,0,0,1,0,0|3,0,0]=4 1727 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,0,0,1,0,0|3,0,0]=4 1728 B9R1.53 CC(C)CC1CN(C1)C 2230a_214813039686_200000210301 [0,0,0,1,0,0|3,0,0]=4 1729 B9R1.53 CC(C)CC1CN(C1)C 269982a_214813039686_200000210301 [0,0,0,1,0,0|3,0,0]=4 1730 B9R1.53 CC(C)CC1CN(C1)C 34a_214813039686_200000210301 [0,0,0,1,0,0|3,0,0]=4 1731 B9R1.53 CC(C)CC1CN(C1)[13CH3] 2230a_214813039686_200025704644 [0,0,0,1,0,0|3,0,0]=4 1732 B9R1.53 CC(C)CC1CN(C1)[13CH3] 269982a_214813039686_200025704644 [0,0,0,1,0,0|3,0,0]=4 1733 B9R1.53 CC(C)CC1CN(C1)[13CH3] 34a_214813039686_200025704644 [0,0,0,1,0,0|3,0,0]=4 1734 B9R1.53 CC(C)CN1CC(C1)O 269982a_100000749847_100000210624 [0,0,0,1,0,0|2,0,1]=4 1735 B9R1.53 CC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210206 [0,0,0,1,0,0|2,0,1]=4 1736 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [0,0,0,1,0,0|2,0,0]=3 1737 B9R1.53 CC(O)CN1CC(C1)C 2230a_100000702820_100011218427 [0,0,0,1,0,0|2,0,1]=4 1738 B9R1.53 CC(O)CN1CC(C1)C 269982a_100000702820_100011218427 [0,0,0,1,0,0|2,0,1]=4 1739 B9R1.53 CC(O)CN1CC(C1)C 34a_100000702820_100011218427 [0,0,0,1,0,0|2,0,1]=4 1740 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [0,0,0,1,0,0|2,0,0]=3 1741 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [0,0,0,1,0,0|2,0,0]=3 1742 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [0,0,0,1,0,0|2,0,0]=3 1743 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [0,0,0,1,0,0|1,0,1]=3 1744 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [0,0,0,1,0,0|1,0,1]=3 1745 B9R1.53 CC1CN(C1)C[C@@H](C)O 2230a_100000702820_100009817552 [0,0,0,1,0,0|2,0,1]=4 1746 B9R1.53 CC1CN(C1)C[C@@H](C)O 269982a_100000702820_100009817552 [0,0,0,1,0,0|2,0,1]=4 1747 B9R1.53 CC1CN(C1)C[C@@H](C)O 34a_100000702820_100009817552 [0,0,0,1,0,0|2,0,1]=4 1748 B9R1.53 CC1CN(C1)C[N+](=O)[O-] 269982a_100000702820_100000761209 [0,0,0,1,0,0|2,0,1]=4 1749 B9R1.53 CC1CN(C1)C[N+](=O)[O-] 34a_100000702820_100000761209 [0,0,0,1,0,0|2,0,1]=4 1750 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [0,0,0,1,0,0|2,0,0]=3 1751 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [0,0,0,1,0,0|2,0,0]=3 1752 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,0,0,1,0,0|1,0,0]=2 1753 B9R1.53 NC(=O)CN1CC(C1)F 2230a_100000690557_100000747473 [0,0,0,1,0,0|3,0,0]=4 1754 B9R1.53 NC(=O)CN1CC(C1)F 269982a_100000690557_100000187820 [0,0,0,1,0,0|3,0,0]=4 1755 B9R1.53 NC(=O)CN1CC(C1)F 34a_100000690557_100000187820 [0,0,0,1,0,0|3,0,0]=4 1756 B9R1.53 NC(=O)CN1CC(C1)O 269982a_100000749847_100000187820 [0,0,0,1,0,0|3,0,0]=4 1757 B9R1.53 O=C([O-])CN1CC(C1)F 269982a_100000690557_100020667443 [0,0,0,1,0,0|2,0,1]=4 1758 B9R1.53 O=C([O-])CN1CC(C1)F 34a_100000690557_100020667443 [0,0,0,1,0,0|2,0,1]=4 1759 B9R1.53 O=C([O-])CN1CC(C1)O 269982a_100000749847_100020667443 [0,0,0,1,0,0|2,0,1]=4 1760 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,0,0,1,0,0|1,0,0]=2 1761 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1762 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1763 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1764 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [0,0,0,1,0,0|2,0,1]=4 1765 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [0,0,0,1,0,0|2,0,1]=4 1766 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1767 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1768 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1769 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [0,0,0,1,0,0|2,0,1]=4 1770 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [0,0,0,1,0,0|2,0,1]=4 1771 B9R1.85 C=C(Br)CCOC1CC1 34a_100009813270_100000211595 [0,0,0,1,0,0|3,0,0]=4 1772 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,0,0,1,0,0|3,0,0]=4 1773 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,0,0,1,0,0|3,0,0]=4 1774 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,0,0,1,0,0|3,0,0]=4 1775 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,0,0,1,0,0|3,0,0]=4 1776 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,0,0,1,0,0|3,0,0]=4 1777 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,0,0,1,0,0|3,0,0]=4 1778 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,0,0,1,0,0|3,0,0]=4 1779 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,0,0,1,0,0|3,0,0]=4 1780 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,0,0,1,0,0|3,0,0]=4 1781 B9R1.85 C=C(F)CNCC1CC1 2230a_100000735609_100009893438 [0,0,0,1,0,0|3,0,0]=4 1782 B9R1.85 C=C(F)CNCC1CC1 34a_100000735609_100009893438 [0,0,0,1,0,0|3,0,0]=4 1783 B9R1.85 C=C(F)COCC1CC1 34a_100000211283_100009893438 [0,0,0,1,0,0|3,0,0]=4 1784 B9R1.85 C=C(F)COCC1CC1 34a_200010262243_100000742324 [0,0,0,1,0,0|3,0,0]=4 1785 B9R1.85 C=C(F)CSCC1CC1 62a_100000042424_100000742324 [0,0,0,1,0,0|3,0,0]=4 1786 B9R1.85 C=C(F)CSCC1CC1 62a_100000756562_100000042424 [0,0,0,1,0,0|3,0,0]=4 1787 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [0,0,0,1,0,0|1,0,2]=4 1788 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|2,0,0]=3 1789 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|2,0,0]=3 1790 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|2,0,0]=3 1791 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,0|2,0,0]=3 1792 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,0|3,0,0]=4 1793 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,0|2,0,0]=3 1794 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|2,0,0]=3 1795 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|2,0,0]=3 1796 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|2,0,0]=3 1797 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,0,0,1,0,0|3,0,0]=4 1798 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,0|3,0,0]=4 1799 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,0|3,0,0]=4 1800 B9R1.85 CC(C)CNCC1CO1 2230a_100000210953_100011216344 [0,0,0,1,0,0|2,0,1]=4 1801 B9R1.85 CC(C)CNCC1CO1 34a_100000210953_102125554688 [0,0,0,1,0,0|2,0,1]=4 1802 B9R1.85 CC(C)COCC1CO1 34a_100000210257_102125554688 [0,0,0,1,0,0|2,0,1]=4 1803 B9R1.85 CC(C)COC[C@@H]1CO1 34a_100000757423_100000210624 [0,0,0,1,0,0|2,0,1]=4 1804 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [0,0,0,1,0,0|2,0,1]=4 1805 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [0,0,0,1,0,0|2,0,1]=4 1806 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [0,0,0,1,0,0|2,0,1]=4 1807 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [0,0,0,1,0,0|2,0,1]=4 1808 B9R1.85 CC(C)NCCC1CO1 2230a_100138425928_100000732470 [0,0,0,1,0,0|2,0,1]=4 1809 B9R1.85 CC(C)NCCC1CO1 34a_100138425928_100000732470 [0,0,0,1,0,0|2,0,1]=4 1810 B9R1.85 CC(C)OCCC1CO1 34a_100000212225_100000732470 [0,0,0,1,0,0|2,0,1]=4 1811 B9R1.85 CC(C)OCC[C@@H]1CO1 34a_100009820653_100000210206 [0,0,0,1,0,0|2,0,1]=4 1812 B9R1.85 CC(C)SCCC1CO1 62a_100000210206_100000732470 [0,0,0,1,0,0|2,0,1]=4 1813 B9R1.85 CC(C)SCCC1CO1 62a_100000732470_100000210206 [0,0,0,1,0,0|2,0,1]=4 1814 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,0,0,1,0,0|2,0,1]=4 1815 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,0,0,1,0,0|2,0,1]=4 1816 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [0,0,0,1,0,0|2,0,1]=4 1817 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [0,0,0,1,0,0|2,0,1]=4 1818 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [0,0,0,1,0,0|2,0,1]=4 1819 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [0,0,0,1,0,0|2,0,1]=4 1820 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [0,0,0,1,0,0|2,0,1]=4 1821 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,0,0,1,0,0|2,0,1]=4 1822 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,0,0,1,0,0|2,0,1]=4 1823 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,0,0,1,0,0|2,0,1]=4 1824 B9R1.85 CN(C)CCCC1CO1 2230a_100102631434_100000733510 [0,0,0,1,0,0|2,0,1]=4 1825 B9R1.85 CN(C)CCCC1CO1 269982a_100102631434_100000733510 [0,0,0,1,0,0|2,0,1]=4 1826 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [0,0,0,1,0,0|2,0,1]=4 1827 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [0,0,0,1,0,0|2,0,1]=4 1828 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,0,0,1,0,0|2,0,1]=4 1829 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,0,0,1,0,0|2,0,1]=4 1830 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,0,0,1,0,0|2,0,1]=4 1831 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,0,1,0,0|2,0,0]=3 1832 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,0,1,0,0|2,0,0]=3 1833 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,0,1,0,0|2,0,0]=3 1834 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,0,1,0,0|2,0,0]=3 1835 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,0,1,0,0|2,0,0]=3 1836 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,0,1,0,0|2,0,0]=3 1837 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [0,0,0,1,0,0|3,0,0]=4 1838 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,0,1,0,0|2,0,0]=3 1839 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [0,0,0,1,0,0|3,0,0]=4 1840 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,0,1,0,0|2,0,0]=3 1841 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,0,1,0,0|2,0,0]=3 1842 B9R1.85 NC(=O)CSCC1CO1 62a_100000747473_102125554688 [0,0,0,1,0,0|3,0,0]=4 1843 B9R1.85 NC(=O)CSCC1CO1 62a_102125554688_100000747473 [0,0,0,1,0,0|3,0,0]=4 1844 B9R1.85 NC(=O)CSCC1CS1 62a_100000031435_100000747473 [0,0,0,1,0,0|3,0,0]=4 1845 B9R1.85 NC(=O)CSCC1CS1 62a_100000747473_100000031435 [0,0,0,1,0,0|3,0,0]=4 1846 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747473 [0,0,0,1,0,0|3,0,0]=4 1847 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000747473_100000745022 [0,0,0,1,0,0|3,0,0]=4 1848 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,0|1,0,0]=2 1849 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,0,1,0,0|2,0,0]=3 1850 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,0,1,0,0|2,0,0]=3 1851 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,0,1,0,0|2,0,0]=3 1852 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,0,1,0,0|2,0,0]=3 1853 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,0,1,0,0|1,0,1]=3 1854 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,0,1,0,0|1,0,1]=3 1855 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [0,0,0,1,0,0|2,0,1]=4 1856 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,0,1,0,0|1,0,1]=3 1857 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,0,1,0,0|1,0,1]=3 1858 B9R1.85 O=C([O-])CSCC1CO1 62a_100020667443_102125554688 [0,0,0,1,0,0|2,0,1]=4 1859 B9R1.85 O=C([O-])CSCC1CO1 62a_102125554688_100020667443 [0,0,0,1,0,0|2,0,1]=4 1860 B9R1.85 O=C([O-])CSCC1CS1 62a_100000031435_100020667443 [0,0,0,1,0,0|2,0,1]=4 1861 B9R1.85 O=C([O-])CSCC1CS1 62a_100020667443_100000031435 [0,0,0,1,0,0|2,0,1]=4 1862 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100000745022_100020667443 [0,0,0,1,0,0|2,0,1]=4 1863 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100020667443_100000745022 [0,0,0,1,0,0|2,0,1]=4 1864 B9R1.85 O=[N+]([O-])CNCC1CC1 34a_100000735609_100000761209 [0,0,0,1,0,0|2,0,1]=4 1865 B9R1.85 O=[N+]([O-])COCC1CC1 34a_100000211283_100000761209 [0,0,0,1,0,0|2,0,1]=4 1866 B9R1.85 O=[N+]([O-])CSCC1CC1 62a_100000756562_100000761209 [0,0,0,1,0,0|2,0,1]=4 1867 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,0|2,0,0]=3 1868 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000070787_100009817841 [0,0,0,1,0,0|3,0,0]=4 1869 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000138109_200000210301 [0,0,0,1,0,0|3,0,0]=4 1870 B9R1.170 [13CH3]C(=O)CC1CC1(F)F 1458a_100000138109_200025704644 [0,0,0,1,0,0|3,0,0]=4 1871 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,1,0|1,0,2]=4 1872 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,1,0|1,0,2]=4 1873 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,1,0|1,0,2]=4 1874 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,1,0|3,0,0]=4 1875 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,1,0|3,0,0]=4 1876 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,1,0|3,0,0]=4 1877 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,1,0|3,0,0]=4 1878 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,1,0|3,0,0]=4 1879 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,1,0|3,0,0]=4 1880 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,1,0|3,0,0]=4 1881 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,1,0|3,0,0]=4 1882 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,0,0,1,0|3,0,0]=4 1883 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,0,0,1,0|3,0,0]=4 1884 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,1,0|3,0,0]=4 1885 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,1,0|3,0,0]=4 1886 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,1,0|3,0,0]=4 1887 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,1,0|3,0,0]=4 1888 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,1,0|1,0,2]=4 1889 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,1,0|1,0,2]=4 1890 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,1,0|1,0,2]=4 1891 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,1,0|1,0,2]=4 1892 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,1,0|2,0,1]=4 1893 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,1,0|1,0,0]=2 1894 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,1,0|1,0,0]=2 1895 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,1,0|2,0,0]=3 1896 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,1,0|2,0,0]=3 1897 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,1,0|2,0,0]=3 1898 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,1,0|2,0,0]=3 1899 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,1,0|2,0,0]=3 1900 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,1,0|2,0,0]=3 1901 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,1,0|2,0,0]=3 1902 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,1,0|2,0,0]=3 1903 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,1,0|2,0,0]=3 1904 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,1,0|2,0,0]=3 1905 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,1,0|3,0,0]=4 1906 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,1,0|3,0,0]=4 1907 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,1,0|3,0,0]=4 1908 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,1,0|3,0,0]=4 1909 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,1,0|3,0,0]=4 1910 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,1,0|1,0,2]=4 1911 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,1,0|1,0,0]=2 1912 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,0,0,1,0|3,0,0]=4 1913 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,0,0,1,0|3,0,0]=4 1914 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,0,0,1,0|3,0,0]=4 1915 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,0,0,1,0|3,0,0]=4 1916 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,0,0,1,0|3,0,0]=4 1917 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,0,0,1,0|3,0,0]=4 1918 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,1,0|2,0,0]=3 1919 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,1,0|2,0,0]=3 1920 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,1,0|2,0,0]=3 1921 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,1,0|1,0,0]=2 1922 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,1,0|1,0,1]=3 1923 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,1,0|2,0,1]=4 1924 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,1,0|2,0,1]=4 1925 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,0,0,1,0|2,0,1]=4 1926 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,1,0|2,0,0]=3 1927 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,1,0|2,0,0]=3 1928 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,1,0|1,0,1]=3 1929 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,1,0|2,0,1]=4 1930 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,0,0,1,0|2,0,1]=4 1931 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,1,0|2,0,0]=3 1932 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,1,0|2,0,0]=3 1933 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,1,0|2,0,0]=3 1934 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,1,0|1,0,1]=3 1935 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,1,0|1,0,1]=3 1936 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,1,0|2,0,1]=4 1937 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,1,0|2,0,1]=4 1938 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,1,0|2,0,1]=4 1939 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,1,0|2,0,1]=4 1940 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,1,0|2,0,1]=4 1941 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,1,0|2,0,1]=4 1942 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,1,0|2,0,1]=4 1943 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,1,0|2,0,1]=4 1944 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,1,0|2,0,1]=4 1945 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,1,0|2,0,1]=4 1946 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,1,0|2,0,1]=4 1947 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,1,0|2,0,1]=4 1948 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,1,0|2,0,0]=3 1949 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,1,0|2,0,0]=3 1950 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,1,0|2,0,0]=3 1951 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,1,0|2,0,0]=3 1952 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,1,0|2,0,0]=3 1953 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,1,0|2,0,1]=4 1954 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,0,0,0,0,1|2,0,0]=3 1955 B9R0.55 C=C(Br)CCOCC(C)O 34a_100009813270_100011218427 [0,0,0,0,0,1|3,0,0]=4 1956 B9R0.55 C=C(Br)CCOC[C@@H](C)O 34a_100009813270_100009817552 [0,0,0,0,0,1|3,0,0]=4 1957 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,0,0,0,0,1|1,0,2]=4 1958 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,0,1|0,0,2]=3 1959 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,0,0,0,0,1|2,0,0]=3 1960 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,0,0,0,0,1|2,0,0]=3 1961 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,0,0,0,0,1|3,0,0]=4 1962 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,0,0,0,0,1|3,0,0]=4 1963 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,0,0,0,0,1|1,0,2]=4 1964 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,0,0,0,0,1|1,0,2]=4 1965 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,0,0,0,0,1|0,0,3]=4 1966 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,0,0,0,0,1|3,0,0]=4 1967 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,0,0,0,0,1|2,0,0]=3 1968 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,0,0,0,0,1|2,0,0]=3 1969 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,0,0,0,0,1|3,0,0]=4 1970 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,0,0,0,0,1|3,0,0]=4 1971 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,0,0,0,0,1|3,0,0]=4 1972 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,0,0,0,0,1|3,0,0]=4 1973 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,0,0,0,0,1|3,0,0]=4 1974 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,0,0,0,0,1|1,0,2]=4 1975 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,0,0,0,0,1|1,0,2]=4 1976 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,0,0,0,0,1|0,0,3]=4 1977 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,0,0,0,0,1|0,0,3]=4 1978 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,0,0,0,0,1|2,0,0]=3 1979 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,0,0,0,0,1|2,0,0]=3 1980 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,0,0,0,0,1|3,0,0]=4 1981 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,0,0,0,0,1|3,0,0]=4 1982 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,0,0,0,0,1|3,0,0]=4 1983 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,0,0,0,0,1|3,0,0]=4 1984 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,0,0,0,0,1|3,0,0]=4 1985 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,0,0,0,0,1|1,0,2]=4 1986 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,0,0,0,0,1|1,0,2]=4 1987 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,0,0,0,0,1|1,0,2]=4 1988 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [0,0,0,0,0,1|1,0,2]=4 1989 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [0,0,0,0,0,1|1,0,2]=4 1990 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [0,0,0,0,0,1|1,0,2]=4 1991 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,0,0,0,0,1|3,0,0]=4 1992 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,0,0,0,0,1|2,0,0]=3 1993 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,0,0,0,0,1|2,0,0]=3 1994 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,0,0,0,0,1|2,0,0]=3 1995 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,0,0,0,0,1|3,0,0]=4 1996 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,0,0,0,0,1|3,0,0]=4 1997 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [0,0,0,0,0,1|3,0,0]=4 1998 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,0,0,0,0,1|1,0,2]=4 1999 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,0,0,0,0,1|1,0,2]=4 2000 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,0,0,0,0,1|1,0,2]=4 2001 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,0,0,0,0,1|1,0,2]=4 2002 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,0,0,0,0,1|2,0,0]=3 2003 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,0,0,0,0,1|2,0,0]=3 2004 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,0,0,0,0,1|3,0,0]=4 2005 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,0,0,0,0,1|3,0,0]=4 2006 B9R0.55 C=C(C)CSCCN(C)C 62a_100000748629_100000755713 [0,0,0,0,0,1|3,0,0]=4 2007 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,0,0,0,0,1|3,0,0]=4 2008 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,0,0,0,0,1|3,0,0]=4 2009 B9R0.55 C=C(F)CNCCC(C)O 2230a_200000755665_100009893438 [0,0,0,0,0,1|3,0,0]=4 2010 B9R0.55 C=C(F)COCCC(C)Br 34a_100009893172_100009893438 [0,0,0,0,0,1|3,0,0]=4 2011 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,0,0,0,0,1|2,0,0]=3 2012 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,0,0,0,0,1|2,0,0]=3 2013 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,0,0,0,0,1|2,0,0]=3 2014 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,0,0,0,0,1|3,0,0]=4 2015 B9R0.55 C=C(F)COCC[C@@H](C)N 34a_100000706166_100009893438 [0,0,0,0,0,1|3,0,0]=4 2016 B9R0.55 C=C(F)COCOC(C)C 34a_200010262243_100000709892 [0,0,0,0,0,1|3,0,0]=4 2017 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [0,0,0,0,0,1|2,0,0]=3 2018 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [0,0,0,0,0,1|2,0,0]=3 2019 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [0,0,0,0,0,1|3,0,0]=4 2020 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [0,0,0,0,0,1|3,0,0]=4 2021 B9R0.55 C=C(F)CSCCN(C)C 62a_100000042424_100000755713 [0,0,0,0,0,1|3,0,0]=4 2022 B9R0.55 C=C(F)CSCOC(C)C 62a_100000042424_100000709892 [0,0,0,0,0,1|3,0,0]=4 2023 B9R0.55 C=C(F)CSCOC(C)C 62a_100000709892_100000042424 [0,0,0,0,0,1|3,0,0]=4 2024 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,0,0,0,0,1|2,0,1]=4 2025 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,0,0,0,0,1|2,0,1]=4 2026 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,0,0,0,0,1|2,0,1]=4 2027 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,0,0,0,0,1|2,0,1]=4 2028 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,0,0,0,0,1|2,0,1]=4 2029 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,0,0,0,0,1|1,0,2]=4 2030 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,0,0,0,0,1|1,0,2]=4 2031 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,1|0,0,2]=3 2032 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,0,0,0,1|0,0,3]=4 2033 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,0,0,0,0,1|2,0,1]=4 2034 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,0,0,0,0,1|2,0,1]=4 2035 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,0,0,0,0,1|2,0,1]=4 2036 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,0,0,0,0,1|2,0,1]=4 2037 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,1|1,0,2]=4 2038 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,1|0,0,3]=4 2039 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,0,0,0,0,1|2,0,1]=4 2040 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,0,0,0,0,1|2,0,1]=4 2041 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [0,0,0,0,0,1|1,0,2]=4 2042 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [0,0,0,0,0,1|1,0,2]=4 2043 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,0,0,0,0,1|0,0,3]=4 2044 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,0,0,0,0,1|0,0,3]=4 2045 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,0,0,0,0,1|2,0,1]=4 2046 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,0,0,0,0,1|2,0,1]=4 2047 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,0,1|2,0,1]=4 2048 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,0,0,0,1|1,0,0]=2 2049 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,0,0,0,1|1,0,0]=2 2050 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,0,0,0,0,1|2,0,0]=3 2051 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,0,0,0,1|2,0,1]=4 2052 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,0,0,0,0,1|1,0,0]=2 2053 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,0,1|2,0,1]=4 2054 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,0,0,0,0,1|2,0,1]=4 2055 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,0,0,0,0,1|1,0,0]=2 2056 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,0,0,0,0,1|1,0,0]=2 2057 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,0,0,0,0,1|1,0,0]=2 2058 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,0,0,0,1|2,0,1]=4 2059 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,0,0,0,0,1|1,0,0]=2 2060 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,0,0,0,0,1|1,0,0]=2 2061 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,0,1|1,0,1]=3 2062 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,0,0,0,1|2,0,1]=4 2063 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,0,0,0,1|2,0,1]=4 2064 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,0,0,0,1|2,0,1]=4 2065 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,0,0,0,1|1,0,2]=4 2066 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,0,0,0,0,1|1,0,0]=2 2067 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,0,0,0,0,1|1,0,0]=2 2068 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,0,0,0,0,1|2,0,0]=3 2069 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,0,0,0,0,1|2,0,0]=3 2070 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [0,0,0,0,0,1|3,0,0]=4 2071 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [0,0,0,0,0,1|3,0,0]=4 2072 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [0,0,0,0,0,1|3,0,0]=4 2073 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,0,0,0,0,1|2,0,0]=3 2074 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,0,0,0,0,1|2,0,0]=3 2075 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,0,0,0,1|2,0,1]=4 2076 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,0,0,0,1|2,0,1]=4 2077 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,0,0,0,1|2,0,1]=4 2078 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,0,0,0,1|1,0,2]=4 2079 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,0,0,0,1|1,0,2]=4 2080 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,0,0,0,0,1|1,0,0]=2 2081 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,0,0,0,0,1|1,0,0]=2 2082 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,0,0,0,0,1|2,0,0]=3 2083 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,0,0,0,0,1|2,0,0]=3 2084 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [0,0,0,0,0,1|3,0,0]=4 2085 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [0,0,0,0,0,1|3,0,0]=4 2086 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,0,0,0,0,1|2,0,0]=3 2087 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,0,0,0,0,1|2,0,0]=3 2088 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,1|1,0,2]=4 2089 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,0,0,0,1|2,0,1]=4 2090 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,0,0,0,0,1|1,0,0]=2 2091 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,0,0,0,0,1|2,0,0]=3 2092 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,0,0,0,0,1|2,0,0]=3 2093 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,0,0,0,1|2,0,1]=4 2094 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,0,0,0,1|2,0,1]=4 2095 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,0,0,0,1|2,0,1]=4 2096 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,0,0,0,0,1|1,0,0]=2 2097 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,0,0,0,0,1|1,0,0]=2 2098 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,0,0,0,0,1|1,0,0]=2 2099 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,0,0,0,0,1|1,0,0]=2 2100 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,0,0,0,0,1|2,0,0]=3 2101 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,0,0,0,0,1|2,0,0]=3 2102 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,0,0,0,0,1|3,0,0]=4 2103 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,0,0,0,0,1|3,0,0]=4 2104 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,0,0,0,0,1|3,0,0]=4 2105 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,0,0,0,0,1|2,0,0]=3 2106 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,0,0,0,0,1|2,0,0]=3 2107 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,0,0,0,0,1|2,0,0]=3 2108 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,0,0,0,0,1|2,0,0]=3 2109 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,0,0,0,0,1|2,0,0]=3 2110 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,0,0,0,0,1|2,0,0]=3 2111 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,0,0,0,0,1|2,0,0]=3 2112 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,0,0,0,0,1|2,0,0]=3 2113 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,0,0,0,0,1|2,0,0]=3 2114 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,0,0,0,0,1|2,0,0]=3 2115 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,0,0,0,0,1|2,0,0]=3 2116 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,0,0,0,0,1|2,0,0]=3 2117 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,0,0,0,0,1|2,0,0]=3 2118 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,0,0,0,0,1|2,0,1]=4 2119 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,0,0,0,0,1|3,0,0]=4 2120 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,0,0,0,0,1|2,0,0]=3 2121 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,0,0,0,0,1|2,0,0]=3 2122 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,0,0,0,0,1|2,0,0]=3 2123 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,0,0,0,0,1|2,0,0]=3 2124 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,0,0,0,0,1|2,0,0]=3 2125 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,1|2,0,1]=4 2126 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,0,0,0,0,1|2,0,0]=3 2127 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,0,0,0,0,1|3,0,0]=4 2128 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,0,0,0,0,1|3,0,0]=4 2129 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,0,0,0,0,1|2,0,0]=3 2130 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,0,0,0,0,1|3,0,0]=4 2131 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,0,0,0,0,1|3,0,0]=4 2132 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,0,0,0,0,1|3,0,0]=4 2133 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,0,0,0,0,1|2,0,0]=3 2134 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,0,0,0,0,1|2,0,0]=3 2135 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,0,0,0,0,1|3,0,0]=4 2136 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,0,0,0,0,1|3,0,0]=4 2137 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,0,0,0,0,1|3,0,0]=4 2138 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,0,0,0,0,1|3,0,0]=4 2139 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,0,0,0,0,1|2,0,0]=3 2140 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,0,0,0,0,1|2,0,0]=3 2141 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,0,0,0,0,1|2,1,0]=4 2142 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,0,0,0,0,1|2,1,0]=4 2143 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,0,0,0,0,1|2,0,0]=3 2144 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,0,0,0,0,1|1,0,1]=3 2145 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [0,0,0,0,0,1|2,0,1]=4 2146 B9R0.55 CC(Br)CCOC[N+](=O)[O-] 34a_100009893172_100000761209 [0,0,0,0,0,1|2,0,1]=4 2147 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,0,0,0,0,1|2,0,0]=3 2148 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,0,0,0,1|1,0,0]=2 2149 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [0,0,0,0,0,1|3,0,0]=4 2150 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [0,0,0,0,0,1|3,0,0]=4 2151 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [0,0,0,0,0,1|2,0,1]=4 2152 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [0,0,0,0,0,1|2,0,1]=4 2153 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [0,0,0,0,0,1|2,0,1]=4 2154 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [0,0,0,0,0,1|2,0,1]=4 2155 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,0,0,0,0,1|2,0,1]=4 2156 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,0,0,0,0,1|2,0,1]=4 2157 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,0,0,0,0,1|2,0,1]=4 2158 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [0,0,0,0,0,1|2,0,1]=4 2159 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [0,0,0,0,0,1|2,0,1]=4 2160 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,0,0,0,0,1|1,0,0]=2 2161 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,1|0,0,0]=1 2162 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [0,0,0,0,0,1|2,0,1]=4 2163 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [0,0,0,0,0,1|2,0,1]=4 2164 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [0,0,0,0,0,1|2,0,1]=4 2165 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [0,0,0,0,0,1|2,0,1]=4 2166 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,0,0,0,0,1|1,0,1]=3 2167 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,0,0,0,0,1|1,0,1]=3 2168 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,0,0,0,0,1|1,0,1]=3 2169 B9R0.55 CC(C)CCNCC(F)F 34a_100000765723_100000210312 [0,0,0,0,0,1|2,0,1]=4 2170 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,0,0,0,0,1|1,0,0]=2 2171 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,0,0,0,0,1|1,0,0]=2 2172 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,0,0,0,0,1|0,0,1]=2 2173 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,0,0,0,0,1|2,0,1]=4 2174 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,0,0,0,0,1|2,0,1]=4 2175 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,0,0,0,0,1|2,0,1]=4 2176 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,0,0,0,0,1|2,0,1]=4 2177 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,0,0,0,0,1|2,0,1]=4 2178 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,0,0,0,0,1|1,0,1]=3 2179 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,0,0,0,0,1|1,0,1]=3 2180 B9R0.55 CC(C)CCOCC(F)F 34a_100000210254_100011934356 [0,0,0,0,0,1|2,0,1]=4 2181 B9R0.55 CC(C)CCOCC(F)F 34a_100000743014_100000210312 [0,0,0,0,0,1|2,0,1]=4 2182 B9R0.55 CC(C)CCOCC(F)F 7a_100000210254_100011934356 [0,0,0,0,0,1|2,0,1]=4 2183 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,0,0,0,0,1|2,0,1]=4 2184 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,0,0,0,0,1|2,0,1]=4 2185 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,0,0,0,0,1|1,0,1]=3 2186 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,0,0,0,0,1|1,0,1]=3 2187 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,0,0,0,0,1|1,0,1]=3 2188 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,0,0,0,0,1|1,0,0]=2 2189 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,0,0,0,0,1|1,0,0]=2 2190 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,0,0,0,0,1|0,0,1]=2 2191 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,0,0,0,0,1|0,0,1]=2 2192 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [0,0,0,0,0,1|2,0,1]=4 2193 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [0,0,0,0,0,1|2,0,1]=4 2194 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,0,0,0,0,1|1,0,1]=3 2195 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,0,0,0,0,1|1,0,1]=3 2196 B9R0.55 CC(C)CCSCC(F)F 62a_100000210312_100011934356 [0,0,0,0,0,1|2,0,1]=4 2197 B9R0.55 CC(C)CCSCC(F)F 62a_100011934356_100000210312 [0,0,0,0,0,1|2,0,1]=4 2198 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,0,0,0,0,1|1,0,1]=3 2199 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,0,0,0,0,1|1,0,1]=3 2200 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,0,0,0,0,1|1,0,1]=3 2201 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,0,0,0,0,1|1,0,0]=2 2202 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,0,0,0,0,1|1,0,0]=2 2203 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,0,0,0,0,1|1,0,1]=3 2204 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,0,0,0,0,1|1,0,1]=3 2205 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,0,0,0,0,1|1,0,1]=3 2206 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,0,0,0,0,1|1,0,1]=3 2207 B9R0.55 CC(C)CNCCN(C)C 270004a_100000210585_100000210432 [0,0,0,0,0,1|3,0,0]=4 2208 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,0,0,0,0,1|1,0,0]=2 2209 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,0,0,0,0,1|1,0,0]=2 2210 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,0,0,0,0,1|1,0,0]=2 2211 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,0,0,0,0,1|1,0,0]=2 2212 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [0,0,0,0,0,1|2,0,1]=4 2213 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,0,0,0,0,1|1,0,1]=3 2214 B9R0.55 CC(C)COCCC(F)F 34a_100103093639_100000210624 [0,0,0,0,0,1|2,0,1]=4 2215 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [0,0,0,0,0,1|2,0,1]=4 2216 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,0,0,0,0,1|1,0,0]=2 2217 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,0,0,0,0,1|1,0,0]=2 2218 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,0,0,0,0,1|1,0,1]=3 2219 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,0,0,0,0,1|1,0,1]=3 2220 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [0,0,0,0,0,1|3,0,0]=4 2221 B9R0.55 CC(C)NCCC=C(F)F 2230a_100138425928_200009816681 [0,0,0,0,0,1|2,0,1]=4 2222 B9R0.55 CC(C)NCCC=C(F)F 34a_100138425928_200009816681 [0,0,0,0,0,1|2,0,1]=4 2223 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,0,0,0,0,1|1,0,0]=2 2224 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,0,0,0,0,1|1,0,0]=2 2225 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,0,0,0,0,1|2,0,0]=3 2226 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,0,0,0,0,1|2,0,0]=3 2227 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,0,0,0,0,1|2,0,0]=3 2228 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,0,0,0,0,1|2,0,0]=3 2229 B9R0.55 CC(C)OCCC=C(F)F 34a_100000212225_200009816681 [0,0,0,0,0,1|2,0,1]=4 2230 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,0,0,0,0,1|1,0,0]=2 2231 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,0,0,0,0,1|1,0,1]=3 2232 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,0,0,0,0,1|2,0,0]=3 2233 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,0,0,0,0,1|2,0,0]=3 2234 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,0,0,0,0,1|2,0,0]=3 2235 B9R0.55 CC(C)OCNCC(=O)N 2230a_100000711301_100000709892 [0,0,0,0,0,1|2,0,0]=3 2236 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,0,0,0,0,1|1,0,0]=2 2237 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,0,0,0,0,1|2,0,0]=3 2238 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,0,0,0,0,1|2,0,0]=3 2239 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,0,0,0,0,1|1,0,1]=3 2240 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,0,0,0,0,1|1,0,1]=3 2241 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [0,0,0,0,0,1|2,0,1]=4 2242 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [0,0,0,0,0,1|2,0,1]=4 2243 B9R0.55 CC(C)OCSC[N+](=O)[O-] 62a_100000709892_100000761209 [0,0,0,0,0,1|2,0,1]=4 2244 B9R0.55 CC(C)SCCC=C(F)F 62a_100000210206_200009816681 [0,0,0,0,0,1|2,0,1]=4 2245 B9R0.55 CC(C)SCCC=C(F)F 62a_200009816681_100000210206 [0,0,0,0,0,1|2,0,1]=4 2246 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,0,0,0,0,1|1,0,0]=2 2247 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,0,0,0,0,1|1,0,0]=2 2248 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [0,0,0,0,0,1|3,0,0]=4 2249 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,0,0,0,0,1|2,0,0]=3 2250 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,0,0,0,0,1|2,0,0]=3 2251 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,0,0,0,0,1|2,0,0]=3 2252 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,0,0,0,0,1|2,0,0]=3 2253 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,0,0,0,0,1|2,0,0]=3 2254 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,0,0,0,0,1|1,0,1]=3 2255 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,0,0,0,0,1|1,0,1]=3 2256 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,0,0,0,0,1|1,0,1]=3 2257 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,0,0,0,0,1|1,0,1]=3 2258 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,0,0,0,0,1|1,0,1]=3 2259 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,0,0,0,0,1|2,0,0]=3 2260 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,0,0,0,0,1|2,0,0]=3 2261 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,0,1|1,0,0]=2 2262 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,0,0,0,0,1|2,0,1]=4 2263 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,0,0,0,0,1|2,0,1]=4 2264 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,0,0,0,0,1|2,0,1]=4 2265 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,0,0,0,0,1|2,0,1]=4 2266 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,0,0,0,0,1|2,0,1]=4 2267 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,0,0,0,0,1|2,0,1]=4 2268 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,0,0,0,0,1|2,0,1]=4 2269 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,0,0,0,0,1|2,0,1]=4 2270 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,0,0,0,0,1|2,0,0]=3 2271 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,0,0,0,0,1|2,0,0]=3 2272 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,0,0,0,0,1|1,0,1]=3 2273 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,0,0,0,0,1|1,0,1]=3 2274 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,0,0,0,0,1|2,0,1]=4 2275 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,0,0,0,0,1|2,0,1]=4 2276 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,0,0,0,0,1|2,0,1]=4 2277 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,0,0,0,0,1|2,0,1]=4 2278 B9R0.55 CC(O)CCSC[N+](=O)[O-] 62a_100012276601_100000761209 [0,0,0,0,0,1|2,0,1]=4 2279 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,0,0,0,0,1|2,0,0]=3 2280 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,1|2,0,0]=3 2281 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [0,0,0,0,0,1|2,0,1]=4 2282 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [0,0,0,0,0,1|2,0,1]=4 2283 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,0,0,0,0,1|2,0,0]=3 2284 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,0,0,0,0,1|2,0,0]=3 2285 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,0,0,0,0,1|2,0,0]=3 2286 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [0,0,0,0,0,1|2,0,1]=4 2287 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,0,0,0,0,1|2,0,1]=4 2288 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,0,0,0,0,1|2,0,0]=3 2289 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,0,0,0,0,1|2,0,0]=3 2290 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [0,0,0,0,0,1|2,0,1]=4 2291 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [0,0,0,0,0,1|2,0,1]=4 2292 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [0,0,0,0,0,1|2,0,1]=4 2293 B9R0.55 CN(C)CCCCB(O)O 2230a_100102631434_200009817182 [0,0,0,0,0,1|2,0,1]=4 2294 B9R0.55 CN(C)CCCCB(O)O 269982a_100102631434_200009817182 [0,0,0,0,0,1|2,0,1]=4 2295 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,0,0,0,1|1,0,0]=2 2296 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,0,0,0,0,1|2,0,0]=3 2297 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,0,0,0,0,1|2,0,0]=3 2298 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,0,0,0,0,1|2,0,0]=3 2299 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,0,0,0,0,1|1,0,1]=3 2300 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,0,0,0,0,1|2,0,0]=3 2301 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,0,0,0,0,1|2,0,0]=3 2302 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,0,0,0,0,1|1,0,1]=3 2303 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,0,0,0,0,1|2,0,1]=4 2304 B9R0.55 C[C@@H](N)CCOC[N+](=O)[O-] 34a_100000706166_100000761209 [0,0,0,0,0,1|2,0,1]=4 2305 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,0,0,0,0,1|2,0,0]=3 2306 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,0,0,0,0,1|2,0,0]=3 2307 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,0,0,0,0,1|2,0,0]=3 2308 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,0,0,0,0,1|2,0,0]=3 2309 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,0,0,0,0,1|2,0,0]=3 2310 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,0,0,0,0,1|2,0,0]=3 2311 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [0,0,0,0,0,1|2,0,1]=4 2312 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,0,1|2,0,1]=4 2313 B9R0.55 NC(=O)CCNCC(F)F 34a_100000765723_100000731001 [0,0,0,0,0,1|3,0,0]=4 2314 B9R0.55 NC(=O)CCOCC(F)F 34a_100000743014_100000731001 [0,0,0,0,0,1|3,0,0]=4 2315 B9R0.55 NC(=O)CCOCC(F)F 34a_100000757172_100011934356 [0,0,0,0,0,1|3,0,0]=4 2316 B9R0.55 NC(=O)CCOCC(F)F 7a_100000757172_100011934356 [0,0,0,0,0,1|3,0,0]=4 2317 B9R0.55 NC(=O)CCSCC(F)F 62a_100000744528_100011934356 [0,0,0,0,0,1|3,0,0]=4 2318 B9R0.55 NC(=O)CCSCC(F)F 62a_100011934356_100000744528 [0,0,0,0,0,1|3,0,0]=4 2319 B9R0.55 NC(=O)COCCC(F)F 34a_100103093639_100000187820 [0,0,0,0,0,1|3,0,0]=4 2320 B9R0.55 O=C(O)CONCC(F)F 269956a_100000106656_100011934356 [0,0,0,0,0,1|3,0,0]=4 2321 B9R0.55 O=C([O-])COCCC(F)F 34a_100103093639_100020667443 [0,0,0,0,0,1|2,0,1]=4 2322 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,0,0,0,1|2,0,1]=4 2323 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [2,0,0,0,0,0|1,0,1]=4 2324 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [2,0,0,0,0,0|1,0,1]=4 2325 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [2,0,0,0,0,0|1,0,1]=4 2326 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [2,0,0,0,0,0|1,0,1]=4 2327 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [2,0,0,0,0,0|1,0,1]=4 2328 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [2,0,0,0,0,0|1,0,1]=4 2329 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [2,0,0,0,0,0|1,0,1]=4 2330 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [2,0,0,0,0,0|1,0,1]=4 2331 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [2,0,0,0,0,0|1,0,1]=4 2332 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [2,0,0,0,0,0|1,0,1]=4 2333 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [2,0,0,0,0,0|1,0,1]=4 2334 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [2,0,0,0,0,0|1,0,1]=4 2335 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [2,0,0,0,0,0|1,0,1]=4 2336 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 2337 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 2338 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 2339 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 2340 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 2341 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 2342 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 2343 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 2344 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|1,0,1]=4 2345 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|1,0,1]=4 2346 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [2,0,0,0,0,0|2,0,0]=4 2347 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [2,0,0,0,0,0|2,0,0]=4 2348 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [2,0,0,0,0,0|2,0,0]=4 2349 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [2,0,0,0,0,0|2,0,0]=4 2350 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [2,0,0,0,0,0|1,0,0]=3 2351 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [2,0,0,0,0,0|1,0,0]=3 2352 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [2,0,0,0,0,0|2,0,0]=4 2353 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [2,0,0,0,0,0|2,0,0]=4 2354 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [2,0,0,0,0,0|2,0,0]=4 2355 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [2,0,0,0,0,0|1,0,0]=3 2356 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [2,0,0,0,0,0|1,0,0]=3 2357 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [2,0,0,0,0,0|1,0,0]=3 2358 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [2,0,0,0,0,0|1,0,0]=3 2359 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [2,0,0,0,0,0|1,0,0]=3 2360 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [2,0,0,0,0,0|2,0,0]=4 2361 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [2,0,0,0,0,0|2,0,0]=4 2362 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [2,0,0,0,0,0|2,0,0]=4 2363 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [2,0,0,0,0,0|1,0,0]=3 2364 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [2,0,0,0,0,0|1,0,0]=3 2365 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [2,0,0,0,0,0|1,0,0]=3 2366 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [2,0,0,0,0,0|2,0,0]=4 2367 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [2,0,0,0,0,0|2,0,0]=4 2368 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [2,0,0,0,0,0|1,0,0]=3 2369 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [2,0,0,0,0,0|1,0,0]=3 2370 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 2371 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 2372 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 2373 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2374 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|1,0,1]=4 2375 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2376 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|1,0,1]=4 2377 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2378 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2379 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2380 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2381 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 2382 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 2383 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 2384 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 2385 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,1]=4 2386 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,1]=4 2387 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|1,0,1]=4 2388 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|1,0,1]=4 2389 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 2390 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 2391 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 2392 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 2393 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|1,0,1]=4 2394 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|1,0,1]=4 2395 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 2396 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 2397 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2398 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 2399 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 2400 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 2401 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|1,0,1]=4 2402 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|1,0,1]=4 2403 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 2404 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 2405 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 2406 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 2407 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 2408 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 2409 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|1,0,1]=4 2410 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|1,0,1]=4 2411 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [2,0,0,0,0,0|2,0,0]=4 2412 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [2,0,0,0,0,0|2,0,0]=4 2413 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [2,0,0,0,0,0|1,0,0]=3 2414 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [2,0,0,0,0,0|1,0,0]=3 2415 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [2,0,0,0,0,0|1,0,0]=3 2416 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [2,0,0,0,0,0|1,0,0]=3 2417 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [2,0,0,0,0,0|1,0,0]=3 2418 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [2,0,0,0,0,0|1,0,0]=3 2419 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 2420 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2421 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 2422 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2423 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|1,0,1]=4 2424 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|1,0,1]=4 2425 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|1,0,1]=4 2426 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|1,0,1]=4 2427 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 2428 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 2429 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 2430 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 2431 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 2432 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2433 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 2434 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2435 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 2436 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 2437 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|1,0,1]=4 2438 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 2439 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 2440 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 2441 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 2442 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 2443 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 2444 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 2445 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 2446 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|1,0,1]=4 2447 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|1,0,1]=4 2448 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 2449 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 2450 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2451 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2452 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 2453 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 2454 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 2455 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|2,0,0]=4 2456 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 2457 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|2,0,0]=4 2458 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|2,0,0]=4 2459 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 2460 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 2461 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 2462 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|2,0,0]=4 2463 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 2464 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 2465 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 2466 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|2,0,0]=4 2467 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|2,0,0]=4 2468 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|2,0,0]=4 2469 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|2,0,0]=4 2470 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|2,0,0]=4 2471 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|2,0,0]=4 2472 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|2,0,0]=4 2473 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|2,0,0]=4 2474 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|2,0,0]=4 2475 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|2,0,0]=4 2476 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|2,0,0]=4 2477 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|2,0,0]=4 2478 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|2,0,0]=4 2479 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|2,0,0]=4 2480 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|2,0,0]=4 2481 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|2,0,0]=4 2482 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 2483 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|2,0,0]=4 2484 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 2485 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|2,0,0]=4 2486 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2487 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|2,0,0]=4 2488 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2489 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2490 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2491 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|2,0,0]=4 2492 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|2,0,0]=4 2493 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|2,0,0]=4 2494 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|2,0,0]=4 2495 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,1]=4 2496 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,1]=4 2497 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 2498 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 2499 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 2500 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 2501 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 2502 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 2503 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 2504 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 2505 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 2506 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 2507 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 2508 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 2509 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 2510 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 2511 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 2512 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 2513 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 2514 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 2515 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 2516 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 2517 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 2518 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 2519 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2520 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 2521 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 2522 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 2523 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 2524 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 2525 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 2526 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 2527 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 2528 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 2529 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 2530 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 2531 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 2532 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 2533 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 2534 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 2535 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 2536 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2537 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 2538 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 2539 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 2540 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [1,1,0,0,0,0|1,0,1]=4 2541 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.5 C=CCN(C)CC(C)C 2230a_100000225617_100000210760 [1,1,0,0,0,0|2,0,0]=4 2543 B8R0.5 C=CCN(C)CC(C)C 2230a_100000747067_100000210623 [1,1,0,0,0,0|2,0,0]=4 2544 B8R0.5 C=CCN(C)CC(C)C 269982a_100000225617_100000210624 [1,1,0,0,0,0|2,0,0]=4 2545 B8R0.5 C=CCN(C)CC(C)C 269982a_100000747067_100000210623 [1,1,0,0,0,0|2,0,0]=4 2546 B8R0.5 C=CCN(C)CC(C)C 270004a_100000225617_100000210432 [1,1,0,0,0,0|2,0,0]=4 2547 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [1,1,0,0,0,0|2,0,0]=4 2548 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [1,1,0,0,0,0|2,0,0]=4 2549 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,1,0,0,0,0|0,0,2]=4 2550 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,1,0,0,0,0|0,0,2]=4 2551 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [1,1,0,0,0,0|1,0,0]=3 2552 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [1,1,0,0,0,0|1,0,0]=3 2553 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [1,1,0,0,0,0|1,0,1]=4 2554 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [1,1,0,0,0,0|1,0,1]=4 2555 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 2556 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [1,1,0,0,0,0|1,0,1]=4 2557 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [1,1,0,0,0,0|1,0,1]=4 2558 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 2559 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [1,1,0,0,0,0|1,0,1]=4 2560 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 2561 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 2562 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [1,1,0,0,0,0|2,0,0]=4 2563 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [1,1,0,0,0,0|1,0,1]=4 2565 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [1,1,0,0,0,0|1,0,1]=4 2566 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [1,1,0,0,0,0|1,0,1]=4 2567 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [1,1,0,0,0,0|1,0,1]=4 2568 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [1,1,0,0,0,0|1,0,1]=4 2569 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [1,1,0,0,0,0|1,0,1]=4 2570 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [1,1,0,0,0,0|2,0,0]=4 2571 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 2573 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 2574 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 2575 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,2]=4 2576 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 2577 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 2578 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 2579 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2580 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2581 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 2582 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 2584 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 2585 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 2586 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,0]=3 2587 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|1,0,1]=4 2588 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2589 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2590 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2591 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2592 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 2593 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 2594 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 2595 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 2596 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 2597 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [1,1,0,0,0,0|2,0,0]=4 2598 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 2599 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 2600 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 2601 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,1,0,0,0,0|1,0,0]=3 2602 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [1,1,0,0,0,0|2,0,0]=4 2603 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [1,1,0,0,0,0|2,0,0]=4 2604 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [1,1,0,0,0,0|2,0,0]=4 2605 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [1,1,0,0,0,0|2,0,0]=4 2606 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [1,1,0,0,0,0|2,0,0]=4 2607 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,1,0,0,0,0|0,0,2]=4 2608 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|1,0,0]=3 2609 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,1,0,0,0,0|2,0,0]=4 2610 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,1,0,0,0,0|2,0,0]=4 2611 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,1,0,0,0,0|2,0,0]=4 2612 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|2,0,0]=4 2613 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|2,0,0]=4 2615 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|2,0,0]=4 2616 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [1,1,0,0,0,0|1,0,1]=4 2617 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [1,1,0,0,0,0|1,0,1]=4 2618 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,1,0,0,0,0|0,0,2]=4 2619 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [1,1,0,0,0,0|2,0,0]=4 2620 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [1,1,0,0,0,0|2,0,0]=4 2621 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [1,1,0,0,0,0|2,0,0]=4 2622 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [1,1,0,0,0,0|2,0,0]=4 2623 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [1,1,0,0,0,0|2,0,0]=4 2624 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [1,1,0,0,0,0|2,0,0]=4 2625 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,1,0,0,0,0|2,0,0]=4 2626 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,1,0,0,0,0|2,0,0]=4 2627 B8R0.6 C=CCCOC(C)CF 34a_100016041109_100000754431 [1,1,0,0,0,0|2,0,0]=4 2628 B8R0.6 C=CCCOC(C)CF 7a_100016041109_100000754431 [1,1,0,0,0,0|2,0,0]=4 2629 B8R0.6 C=CCCOC(C)CN 34a_100000210904_100000754431 [1,1,0,0,0,0|2,0,0]=4 2630 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [1,1,0,0,0,0|2,0,0]=4 2631 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [1,1,0,0,0,0|2,0,0]=4 2632 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [1,1,0,0,0,0|2,0,0]=4 2633 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [1,1,0,0,0,0|2,0,0]=4 2634 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [1,1,0,0,0,0|2,0,0]=4 2635 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [1,1,0,0,0,0|2,0,0]=4 2636 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [1,1,0,0,0,0|2,0,0]=4 2637 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [1,1,0,0,0,0|2,0,0]=4 2638 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [1,1,0,0,0,0|2,0,0]=4 2639 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [1,1,0,0,0,0|2,0,0]=4 2640 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [1,1,0,0,0,0|2,0,0]=4 2641 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [1,1,0,0,0,0|2,0,0]=4 2642 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [1,1,0,0,0,0|2,0,0]=4 2643 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [1,1,0,0,0,0|2,0,0]=4 2644 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [1,1,0,0,0,0|2,0,0]=4 2645 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [1,1,0,0,0,0|2,0,0]=4 2646 B8R0.6 C=CCOCC(C)CN 34a_100000744482_100015514636 [1,1,0,0,0,0|2,0,0]=4 2647 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [1,1,0,0,0,0|2,0,0]=4 2648 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [1,1,0,0,0,0|2,0,0]=4 2649 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [1,1,0,0,0,0|2,0,0]=4 2650 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [1,1,0,0,0,0|2,0,0]=4 2651 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [1,1,0,0,0,0|2,0,0]=4 2652 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [1,1,0,0,0,0|2,0,0]=4 2653 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [1,1,0,0,0,0|2,0,0]=4 2654 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [1,1,0,0,0,0|2,0,0]=4 2655 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [1,1,0,0,0,0|2,0,0]=4 2656 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [1,1,0,0,0,0|2,0,0]=4 2657 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [1,1,0,0,0,0|1,0,1]=4 2659 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|1,0,0]=3 2660 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|1,0,1]=4 2661 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 2662 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|1,0,0]=3 2663 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,1,0,0,0,0|1,0,1]=4 2664 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,1,0,0,0,0|1,0,1]=4 2665 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,1,0,0,0,0|0,0,2]=4 2666 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [1,1,0,0,0,0|0,0,2]=4 2667 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|2,0,0]=4 2668 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|2,0,0]=4 2669 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|2,0,0]=4 2670 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|2,0,0]=4 2671 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|2,0,0]=4 2672 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|2,0,0]=4 2673 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|2,0,0]=4 2674 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|2,0,0]=4 2675 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|1,0,0]=3 2676 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,1]=4 2677 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,1]=4 2678 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,1]=4 2679 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,1]=4 2680 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|1,0,0]=3 2681 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|1,0,0]=3 2682 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|1,0,1]=4 2684 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,1]=4 2685 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,1]=4 2686 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|1,0,1]=4 2687 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|1,0,1]=4 2688 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|2,0,0]=4 2689 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,0,0,0,0|2,0,0]=4 2690 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,0,0,0,0|2,0,0]=4 2691 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|1,0,0]=3 2692 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|1,0,0]=3 2693 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,0]=3 2694 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|0,0,0]=2 2695 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,0]=3 2696 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 2697 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 2698 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 2699 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,1]=4 2700 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 2701 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,1]=4 2702 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,1]=4 2703 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 2704 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,1]=4 2705 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 2706 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,1]=4 2707 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 2708 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 2709 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 2710 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,1]=4 2711 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,1]=4 2712 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,1]=4 2713 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,1]=4 2714 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|2,0,0]=4 2715 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|2,0,0]=4 2716 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|2,0,0]=4 2717 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|2,0,0]=4 2718 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 2719 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 2720 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|2,0,0]=4 2721 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 2722 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 2723 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 2724 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 2725 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|2,0,0]=4 2726 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|2,0,0]=4 2727 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,1,0,0,0,0|2,0,0]=4 2728 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|2,0,0]=4 2729 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|2,0,0]=4 2730 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,1,0,0,0,0|2,0,0]=4 2731 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|2,0,0]=4 2732 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 2733 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 2734 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|2,0,0]=4 2735 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|2,0,0]=4 2736 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 2737 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|1,0,0]=3 2738 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|2,0,0]=4 2739 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|2,0,0]=4 2740 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|2,0,0]=4 2741 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,1,0,0,0,0|2,0,0]=4 2742 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,1,0,0,0,0|2,0,0]=4 2743 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 2744 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 2745 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 2746 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,1,0,0,0,0|2,0,0]=4 2747 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,1,0,0,0,0|2,0,0]=4 2748 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|1,0,0]=3 2749 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|1,0,0]=3 2750 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 2751 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 2752 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 2753 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,1,0,0,0,0|1,0,1]=4 2754 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 2755 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 2756 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,1,0,0,0,0|1,0,1]=4 2757 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 2758 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 2759 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 2760 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,1,0,0,0,0|2,0,0]=4 2761 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,1,0,0,0,0|2,0,0]=4 2762 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,1,0,0,0,0|2,0,0]=4 2763 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,1,0,0,0,0|1,0,0]=3 2764 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [1,1,0,0,0,0|2,0,0]=4 2765 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|2,0,0]=4 2766 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|2,0,0]=4 2767 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,1,0,0,0,0|2,0,0]=4 2768 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|1,0,0]=3 2769 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,1,0,0,0,0|2,0,0]=4 2770 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 2771 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 2772 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,1,0,0,0,0|2,0,0]=4 2773 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,1,0,0,0,0|2,0,0]=4 2774 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 2775 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|1,0,0]=3 2776 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|2,0,0]=4 2777 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|2,0,0]=4 2778 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,1,0,0,0,0|2,0,0]=4 2779 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|1,0,0]=3 2780 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|2,0,0]=4 2781 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 2782 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 2783 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 2784 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|2,0,0]=4 2785 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|2,0,0]=4 2786 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|1,0,0]=3 2787 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|1,0,0]=3 2788 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,1,0,0,0,0|2,0,0]=4 2789 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,1]=4 2790 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,1]=4 2791 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|1,0,0]=3 2792 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,1]=4 2793 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|1,0,0]=3 2794 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|1,0,0]=3 2795 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|1,0,1]=4 2796 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|1,0,1]=4 2797 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [1,1,0,0,0,0|1,0,1]=4 2798 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,1,0,0,0,0|2,0,0]=4 2800 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,1,0,0,0,0|2,0,0]=4 2801 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2804 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|2,0,0]=4 2805 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2806 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|2,0,0]=4 2807 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 2808 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 2809 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 2810 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|2,0,0]=4 2812 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|2,0,0]=4 2813 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|2,0,0]=4 2814 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [1,1,0,0,0,0|1,0,1]=4 2815 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|2,0,0]=4 2816 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,1,0,0,0,0|2,0,0]=4 2817 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,1,0,0,0,0|2,0,0]=4 2818 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,1,0,0,0,0|2,0,0]=4 2819 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,1,0,0,0,0|2,0,0]=4 2820 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,1,0,0,0,0|2,0,0]=4 2821 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|1,0,0]=3 2822 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|1,0,0]=3 2823 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|1,0,0]=3 2824 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|1,0,0]=3 2825 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|1,0,0]=3 2826 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|1,0,0]=3 2827 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|1,0,0]=3 2828 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,1,0,0,0,0|2,0,0]=4 2829 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,1,0,0,0,0|2,0,0]=4 2830 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,1,0,0,0,0|2,0,0]=4 2831 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,1,0,0,0,0|2,0,0]=4 2832 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,1,0,0,0,0|2,0,0]=4 2833 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,1,0,0,0,0|2,0,0]=4 2834 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,1,0,0,0,0|2,0,0]=4 2835 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,1,0,0,0,0|2,0,0]=4 2836 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,1,0,0,0,0|2,0,0]=4 2837 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,1,0,0,0,0|2,0,0]=4 2838 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,1,0,0,0,0|2,0,0]=4 2839 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,1,0,0,0,0|2,0,0]=4 2840 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,1,0,0,0,0|2,0,0]=4 2841 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2842 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|2,0,0]=4 2843 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|1,0,0]=3 2844 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [1,1,0,0,0,0|1,0,1]=4 2845 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [1,1,0,0,0,0|1,0,1]=4 2846 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [1,1,0,0,0,0|1,0,1]=4 2847 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,1,0,0,0,0|2,0,0]=4 2848 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,0]=3 2849 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [1,1,0,0,0,0|2,0,0]=4 2850 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|1,0,0]=3 2851 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 2852 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 2853 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 2854 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 2855 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 2856 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 2857 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 2858 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2859 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|2,0,0]=4 2860 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,1,0,0,0,0|2,0,0]=4 2861 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,1,0,0,0,0|2,0,0]=4 2862 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|1,0,0]=3 2863 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [1,1,0,0,0,0|1,0,1]=4 2864 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,1,0,0,0,0|2,0,0]=4 2865 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 2866 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 2867 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 2868 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,1,0,0,0,0|1,0,1]=4 2869 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,1,0,0,0,0|1,0,1]=4 2870 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,1,0,0,0,0|1,0,0]=3 2871 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,1,0,0,0,0|1,0,0]=3 2872 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,1,0,0,0,0|1,0,1]=4 2873 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,1,0,0,0,0|1,0,1]=4 2874 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 2875 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,1,0,0,0,0|1,0,1]=4 2876 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,1,0,0,0,0|1,0,1]=4 2877 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,1,0,0,0,0|1,0,1]=4 2878 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 2879 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|2,0,0]=4 2880 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|1,0,0]=3 2881 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,0]=3 2882 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 2883 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 2884 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 2885 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 2886 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 2887 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,1,0,0,0,0|2,0,0]=4 2888 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [1,1,0,0,0,0|2,0,0]=4 2889 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,1,0,0,0,0|2,0,0]=4 2890 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,1,0,0,0,0|2,0,0]=4 2891 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [1,1,0,0,0,0|2,0,0]=4 2892 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [1,1,0,0,0,0|2,0,0]=4 2893 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,1,0,0,0,0|2,0,0]=4 2894 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,1,0,0,0,0|2,0,0]=4 2895 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [1,1,0,0,0,0|2,0,0]=4 2896 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|1,0,1]=4 2897 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2898 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2899 B8R0.7 C#CCCCNC(C)C 2230a_100138425928_100000731252 [1,1,0,0,0,0|1,0,1]=4 2900 B8R0.7 C#CCCCNC(C)C 34a_100000718082_100000210206 [1,1,0,0,0,0|1,0,1]=4 2901 B8R0.7 C#CCCCNC(C)C 34a_100138425928_100000695029 [1,1,0,0,0,0|1,0,1]=4 2902 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [1,1,0,0,0,0|1,0,1]=4 2903 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [1,1,0,0,0,0|1,0,1]=4 2904 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [1,1,0,0,0,0|1,0,1]=4 2905 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [1,1,0,0,0,0|1,0,1]=4 2906 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [1,1,0,0,0,0|1,0,1]=4 2907 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,1,0,0,0,0|0,0,2]=4 2908 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [1,1,0,0,0,0|1,0,1]=4 2909 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [1,1,0,0,0,0|1,0,1]=4 2910 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [1,1,0,0,0,0|1,0,1]=4 2911 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [1,1,0,0,0,0|1,0,1]=4 2912 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [1,1,0,0,0,0|1,0,1]=4 2913 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [1,1,0,0,0,0|1,0,1]=4 2914 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [1,1,0,0,0,0|1,0,1]=4 2915 B8R0.7 C#CCNCCC(C)C 34a_100000212058_100000210312 [1,1,0,0,0,0|1,0,1]=4 2916 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [1,1,0,0,0,0|1,0,1]=4 2917 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [1,1,0,0,0,0|1,0,1]=4 2918 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [1,1,0,0,0,0|1,0,1]=4 2919 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [1,1,0,0,0,0|1,0,1]=4 2920 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|1,0,1]=4 2921 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|0,0,2]=4 2922 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,1,0,0,0,0|1,0,1]=4 2923 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|1,0,1]=4 2924 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|1,0,1]=4 2925 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|1,0,1]=4 2926 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|1,0,1]=4 2927 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|2,0,0]=4 2928 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [1,1,0,0,0,0|0,0,2]=4 2929 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|2,0,0]=4 2930 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|2,0,0]=4 2931 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,1,0,0,0,0|0,0,2]=4 2932 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,1,0,0,0,0|0,0,2]=4 2933 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|2,0,0]=4 2934 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|2,0,0]=4 2935 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|2,0,0]=4 2936 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|2,0,0]=4 2937 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 2938 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|2,0,0]=4 2939 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 2940 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|2,0,0]=4 2941 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|2,0,0]=4 2942 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,1,0,0,0,0|2,0,0]=4 2943 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,1,0,0,0,0|2,0,0]=4 2944 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|2,0,0]=4 2945 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|2,0,0]=4 2946 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|2,0,0]=4 2947 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,1,0,0,0,0|2,0,0]=4 2948 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,1,0,0,0,0|2,0,0]=4 2949 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|1,0,1]=4 2950 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|1,0,1]=4 2951 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|1,0,1]=4 2952 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,1,0,0,0,0|2,0,0]=4 2953 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,1,0,0,0,0|2,0,0]=4 2954 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,1,0,0,0,0|2,0,0]=4 2955 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,1,0,0,0,0|2,0,0]=4 2956 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,1,0,0,0,0|2,0,0]=4 2957 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,1,0,0,0,0|2,0,0]=4 2958 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,1,0,0,0,0|1,0,0]=3 2959 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,1,0,0,0,0|1,0,0]=3 2960 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,1,0,0,0,0|1,0,0]=3 2961 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,1,0,0,0,0|1,0,0]=3 2962 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,1,0,0,0,0|1,0,0]=3 2963 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,1,0,0,0,0|1,0,0]=3 2964 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,1,0,0,0,0|1,0,0]=3 2965 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,1,0,0,0,0|1,0,0]=3 2966 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,1,0,0,0,0|1,0,0]=3 2967 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,1,0,0,0,0|0,0,2]=4 2968 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [1,1,0,0,0,0|1,0,0]=3 2969 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [1,1,0,0,0,0|1,0,0]=3 2970 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [1,1,0,0,0,0|1,0,0]=3 2971 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [1,1,0,0,0,0|1,0,0]=3 2972 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|2,0,0]=4 2973 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|2,0,0]=4 2974 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|2,0,0]=4 2975 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|2,0,0]=4 2976 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [1,1,0,0,0,0|2,0,0]=4 2977 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,1,0,0,0,0|1,0,0]=3 2978 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,1,0,0,0,0|1,0,0]=3 2979 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [1,1,0,0,0,0|2,0,0]=4 2980 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|2,0,0]=4 2981 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [1,1,0,0,0,0|2,0,0]=4 2982 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [1,1,0,0,0,0|2,0,0]=4 2983 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|2,0,0]=4 2984 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [1,1,0,0,0,0|1,0,0]=3 2985 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [1,1,0,0,0,0|1,0,0]=3 2986 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,1,0,0,0,0|2,0,0]=4 2987 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,1,0,0,0,0|2,0,0]=4 2988 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,1,0,0,0,0|2,0,0]=4 2989 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,1,0,0,0,0|2,0,0]=4 2990 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [1,1,0,0,0,0|1,0,0]=3 2991 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,1,0,0,0,0|2,0,0]=4 2992 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,1,0,0,0,0|2,0,0]=4 2993 B8R0.7 C=CCNCOC(C)C 2230a_100020586998_100000709892 [1,1,0,0,0,0|2,0,0]=4 2994 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [1,1,0,0,0,0|2,0,0]=4 2995 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,1,0,0,0,0|1,0,0]=3 2996 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,1,0,0,0,0|1,0,0]=3 2997 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,1,0,0,0,0|1,0,0]=3 2998 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|2,0,0]=4 2999 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [1,1,0,0,0,0|2,0,0]=4 3000 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [1,1,0,0,0,0|2,0,0]=4 3001 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [1,1,0,0,0,0|1,0,0]=3 3002 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [1,1,0,0,0,0|1,0,0]=3 3003 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,1,0,0,0,0|2,0,0]=4 3004 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,1,0,0,0,0|2,0,0]=4 3005 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [1,1,0,0,0,0|2,0,0]=4 3006 B8R0.7 C=CCSCOC(C)C 62a_100000210623_100000709892 [1,1,0,0,0,0|2,0,0]=4 3007 B8R0.7 C=CCSCOC(C)C 62a_100000709892_100000210623 [1,1,0,0,0,0|2,0,0]=4 3008 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [1,1,0,0,0,0|2,0,0]=4 3009 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [1,1,0,0,0,0|2,0,0]=4 3010 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [1,1,0,0,0,0|2,0,0]=4 3011 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [1,1,0,0,0,0|2,0,0]=4 3012 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [1,1,0,0,0,0|2,0,0]=4 3013 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [1,1,0,0,0,0|2,0,0]=4 3014 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [1,1,0,0,0,0|0,0,2]=4 3015 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [1,1,0,0,0,0|0,0,2]=4 3016 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [1,1,0,0,0,0|0,0,2]=4 3017 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [1,1,0,0,0,0|0,0,2]=4 3018 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [1,1,0,0,0,0|0,0,2]=4 3019 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|1,0,1]=4 3020 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,0]=3 3021 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,0]=3 3022 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 3023 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,0]=3 3024 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,0]=3 3025 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 3026 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 3027 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|2,0,0]=4 3028 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|2,0,0]=4 3029 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,1,0,0,0,0|1,0,1]=4 3030 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,1,0,0,0,0|1,0,1]=4 3031 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 3032 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 3033 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|2,0,0]=4 3034 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|2,0,0]=4 3035 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 3036 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 3037 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,1,0,0,0,0|1,0,1]=4 3038 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,1,0,0,0,0|1,0,1]=4 3039 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 3040 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 3041 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|2,0,0]=4 3042 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|2,0,0]=4 3043 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|2,0,0]=4 3044 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|2,0,0]=4 3045 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|2,0,0]=4 3046 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|2,0,0]=4 3047 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 3048 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 3049 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|2,0,0]=4 3050 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|2,0,0]=4 3051 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|2,0,0]=4 3052 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|2,0,0]=4 3053 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [1,1,0,0,0,0|1,0,0]=3 3054 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,1]=4 3055 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,1,0,0,0,0|1,0,1]=4 3056 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|0,0,1]=3 3057 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|0,0,1]=3 3058 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|0,1,1]=4 3059 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|0,1,1]=4 3060 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,1,0,0,0,0|1,0,1]=4 3061 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 3062 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 3063 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,1,0,0,0,0|1,0,1]=4 3064 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,1,0,0,0,0|1,0,1]=4 3065 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,1,0,0,0,0|1,0,1]=4 3066 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,1,0,0,0,0|1,0,1]=4 3067 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|0,0,1]=3 3068 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|0,0,1]=3 3069 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|0,0,1]=3 3070 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [1,1,0,0,0,0|1,0,1]=4 3071 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,1,0,0,0,0|0,0,0]=2 3072 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,1,0,0,0,0|0,0,0]=2 3073 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|1,0,1]=4 3074 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|1,0,1]=4 3075 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|1,0,1]=4 3076 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|1,0,1]=4 3077 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|0,0,1]=3 3078 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|0,0,1]=3 3079 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [1,1,0,0,0,0|1,0,1]=4 3080 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [1,1,0,0,0,0|1,0,1]=4 3081 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,1,0,0,0,0|0,0,0]=2 3082 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,1,0,0,0,0|0,0,0]=2 3083 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,1,0,0,0,0|1,0,1]=4 3084 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,1,0,0,0,0|1,0,1]=4 3085 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|0,0,1]=3 3086 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|0,0,1]=3 3087 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [1,1,0,0,0,0|1,0,1]=4 3088 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [1,1,0,0,0,0|1,0,1]=4 3089 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,1,0,0,0,0|1,0,1]=4 3090 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,1,0,0,0,0|1,0,1]=4 3091 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,1,0,0,0,0|1,0,1]=4 3092 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,1,0,0,0,0|1,0,1]=4 3093 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,1,0,0,0,0|1,0,1]=4 3094 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|0,0,1]=3 3095 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|0,0,1]=3 3096 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|0,0,1]=3 3097 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|1,0,1]=4 3098 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [1,1,0,0,0,0|1,0,1]=4 3099 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [1,1,0,0,0,0|1,0,1]=4 3100 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [1,1,0,0,0,0|1,0,1]=4 3101 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [1,1,0,0,0,0|1,0,1]=4 3102 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [1,1,0,0,0,0|1,0,1]=4 3103 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|0,0,1]=3 3104 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [1,1,0,0,0,0|1,0,1]=4 3105 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 3106 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|1,0,1]=4 3107 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [1,1,0,0,0,0|1,0,1]=4 3108 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [1,1,0,0,0,0|1,0,1]=4 3109 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [1,1,0,0,0,0|1,0,1]=4 3110 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [1,1,0,0,0,0|1,0,1]=4 3111 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,1,0,0,0,0|0,0,1]=3 3112 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,1,0,0,0,0|0,0,1]=3 3113 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|1,0,1]=4 3114 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|1,0,1]=4 3115 B8R0.7 CC(C)NCCCC#N 2230a_100138425928_100000687738 [1,1,0,0,0,0|1,0,1]=4 3116 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,1,0,0,0,0|0,0,0]=2 3117 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,1,0,0,0,0|1,0,1]=4 3118 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,1,0,0,0,0|1,0,1]=4 3119 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,1,0,0,0,0|0,0,1]=3 3120 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,1,0,0,0,0|0,0,1]=3 3121 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,1,0,0,0,0|0,0,1]=3 3122 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,1,0,0,0,0|0,0,1]=3 3123 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|1,0,1]=4 3124 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,1,0,0,0,0|1,0,1]=4 3125 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,1,0,0,0,0|1,0,1]=4 3126 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,1,0,0,0,0|1,0,1]=4 3127 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,1,0,0,0,0|1,0,1]=4 3128 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,1,0,0,0,0|1,0,1]=4 3129 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,1,0,0,0,0|1,0,1]=4 3130 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,1,0,0,0,0|1,0,1]=4 3131 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,1,0,0,0,0|1,0,1]=4 3132 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|0,0,1]=3 3133 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,1,0,0,0,0|2,0,0]=4 3134 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,1,0,0,0,0|2,0,0]=4 3135 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [1,1,0,0,0,0|1,0,1]=4 3136 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [1,1,0,0,0,0|1,0,1]=4 3137 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [1,1,0,0,0,0|1,0,0]=3 3138 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [1,1,0,0,0,0|1,0,0]=3 3139 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [1,1,0,0,0,0|1,0,1]=4 3140 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [1,1,0,0,0,0|1,0,1]=4 3141 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [1,1,0,0,0,0|1,0,1]=4 3142 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [1,1,0,0,0,0|1,0,1]=4 3143 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,1,0,0,0,0|0,0,0]=2 3144 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,1,0,0,0,0|0,0,0]=2 3145 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,1,0,0,0,0|1,0,1]=4 3146 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,1,0,0,0,0|1,0,1]=4 3147 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,1,0,0,0,0|0,0,1]=3 3148 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,1,0,0,0,0|0,0,1]=3 3149 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,1,0,0,0,0|1,0,1]=4 3150 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,1,0,0,0,0|1,0,0]=3 3151 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|1,0,1]=4 3152 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|1,0,1]=4 3153 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|1,0,1]=4 3154 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,1,0,0,0,0|1,0,0]=3 3155 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,1,0,0,0,0|1,0,0]=3 3156 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 3157 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|1,0,1]=4 3158 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 3159 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 3160 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,1,0,0,0,0|1,0,1]=4 3161 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,1,0,0,0,0|1,0,1]=4 3162 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,1]=4 3163 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,1,0,0,0,0|1,0,1]=4 3164 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,1,0,0,0,0|1,0,1]=4 3165 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|1,0,1]=4 3166 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|1,0,1]=4 3167 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|1,0,1]=4 3168 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 3169 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 3170 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,1]=4 3171 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,1]=4 3172 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,0]=3 3173 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,0]=3 3174 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,0]=3 3175 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 3176 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 3177 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 3178 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,0]=3 3179 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|1,0,1]=4 3180 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|1,0,1]=4 3181 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|1,0,1]=4 3182 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 3183 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,1]=4 3184 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 3185 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|1,0,1]=4 3186 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|1,0,1]=4 3187 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|1,0,0]=3 3188 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|1,0,0]=3 3189 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|1,0,0]=3 3190 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|0,0,0]=2 3191 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|1,0,1]=4 3192 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|1,0,1]=4 3193 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|1,0,1]=4 3194 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|1,0,1]=4 3195 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|1,0,1]=4 3196 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 3197 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 3198 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 3199 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 3200 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 3201 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 3202 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 3203 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,0]=3 3204 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,0]=3 3205 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,0]=3 3206 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 3207 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 3208 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,0]=3 3209 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|0,0,1]=3 3210 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|1,0,1]=4 3211 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|1,0,1]=4 3212 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|1,0,1]=4 3213 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 3214 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 3215 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 3216 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 3217 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,1,0,0,0,0|1,0,1]=4 3218 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,0]=3 3219 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|1,0,0]=3 3220 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|1,0,0]=3 3221 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,0]=3 3222 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|0,0,1]=3 3223 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|0,0,1]=3 3224 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|1,0,1]=4 3225 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|1,0,1]=4 3226 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 3227 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 3228 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 3229 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 3230 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,1,0,0,0,0|1,0,1]=4 3231 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|1,0,1]=4 3232 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 3233 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|1,0,0]=3 3234 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,0]=3 3235 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 3236 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 3237 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|1,0,0]=3 3238 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 3239 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 3240 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|1,0,1]=4 3241 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|1,0,1]=4 3242 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|1,0,1]=4 3243 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 3244 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|2,0,0]=4 3245 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,0]=3 3246 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,0]=3 3247 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|1,0,0]=3 3248 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|1,0,0]=3 3249 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|1,0,1]=4 3250 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|1,0,1]=4 3251 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,1]=4 3252 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,1]=4 3253 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|2,0,0]=4 3254 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|2,0,0]=4 3255 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|1,0,0]=3 3256 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|1,0,1]=4 3257 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 3258 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 3259 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,1]=4 3260 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 3261 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 3262 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 3263 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,1,0,0,0,0|2,0,0]=4 3264 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,1,0,0,0,0|2,0,0]=4 3265 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,0]=3 3266 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 3267 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,0]=3 3268 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 3269 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,0]=3 3270 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 3271 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,1]=4 3272 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 3273 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 3274 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,1,0,0,0,0|1,0,1]=4 3275 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 3276 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|2,0,0]=4 3277 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 3278 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|2,0,0]=4 3279 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|2,0,0]=4 3280 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|2,0,0]=4 3281 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|2,0,0]=4 3282 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|2,0,0]=4 3283 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|2,0,0]=4 3284 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|1,0,0]=3 3285 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,1,0,0,0,0|2,0,0]=4 3286 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,1,0,0,0,0|2,0,0]=4 3287 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,1,0,0,0,0|1,0,1]=4 3288 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,1,0,0,0,0|1,0,1]=4 3289 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,0]=3 3290 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,0]=3 3291 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|1,0,0]=3 3292 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|1,0,0]=3 3293 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|1,0,1]=4 3294 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|1,0,1]=4 3295 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,1]=4 3296 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 3297 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 3298 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 3299 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 3300 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 3301 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 3302 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 3303 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 3304 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 3305 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 3306 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 3307 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|2,0,0]=4 3308 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|2,0,0]=4 3309 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,1,0,0,0,0|1,0,0]=3 3310 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,1,0,0,0,0|1,0,0]=3 3311 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 3312 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 3313 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 3314 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 3315 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 3316 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [1,1,0,0,0,0|1,0,1]=4 3317 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 3318 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [1,1,0,0,0,0|1,0,1]=4 3319 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [1,1,0,0,0,0|1,0,0]=3 3320 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [1,1,0,0,0,0|1,0,1]=4 3321 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 3322 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 3323 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 3324 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 3325 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,1,0,0,0,0|1,0,1]=4 3326 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,1,0,0,0,0|1,0,1]=4 3327 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,1,0,0,0,0|1,0,1]=4 3328 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,0]=3 3329 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,0]=3 3330 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,0]=3 3331 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 3332 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 3333 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 3334 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3335 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|2,0,0]=4 3336 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|2,0,0]=4 3337 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,1,0,0,0,0|2,0,0]=4 3338 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,1,0,0,0,0|2,0,0]=4 3339 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,1,0,0,0,0|2,0,0]=4 3340 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 3341 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|2,0,0]=4 3342 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 3343 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 3344 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,1,0,0,0,0|2,0,0]=4 3345 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 3346 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,0]=3 3347 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,1,0,0,0,0|1,0,1]=4 3348 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 3349 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 3350 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 3351 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 3352 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|0,0,1]=3 3353 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|0,0,1]=3 3354 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|0,0,1]=3 3355 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 3356 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 3357 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 3358 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 3360 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 3361 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 3362 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 3363 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|1,0,1]=4 3364 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|1,0,1]=4 3365 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|1,0,1]=4 3366 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|1,0,1]=4 3367 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 3368 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|1,0,1]=4 3369 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|1,0,1]=4 3370 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 3371 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|1,0,1]=4 3372 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|1,0,1]=4 3373 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|2,0,0]=4 3374 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|2,0,0]=4 3375 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|1,0,0]=3 3376 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|1,0,1]=4 3377 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 3378 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|1,0,1]=4 3379 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|1,0,1]=4 3380 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|1,0,1]=4 3381 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|2,0,0]=4 3382 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|2,0,0]=4 3383 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|2,0,0]=4 3384 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|2,0,0]=4 3385 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|2,0,0]=4 3386 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|1,0,1]=4 3387 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|1,0,1]=4 3388 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|1,0,1]=4 3389 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 3390 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|1,0,1]=4 3391 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,1,0,0,0,0|2,0,0]=4 3392 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,1,0,0,0,0|2,0,0]=4 3393 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,1,0,0,0,0|1,0,1]=4 3394 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,1,0,0,0,0|1,0,1]=4 3395 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|1,0,1]=4 3396 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|1,0,1]=4 3397 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|1,0,1]=4 3398 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|1,0,1]=4 3399 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,1,0,0,0,0|2,0,0]=4 3400 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|2,0,0]=4 3401 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|2,0,0]=4 3402 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,1,0,0,0,0|2,0,0]=4 3403 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,1,0,0,0,0|2,0,0]=4 3404 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|1,0,1]=4 3405 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|1,0,1]=4 3406 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,1,0,0,0,0|1,0,1]=4 3407 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,1,0,0,0,0|1,0,1]=4 3408 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,0]=3 3409 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,0]=3 3410 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|0,1,1]=4 3411 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|0,1,1]=4 3412 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 3413 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 3414 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 3415 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 3416 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|2,0,0]=4 3417 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|2,0,0]=4 3418 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|2,0,0]=4 3419 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 3420 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|2,0,0]=4 3421 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|2,0,0]=4 3422 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|2,0,0]=4 3423 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,1,0,0,0,0|2,0,0]=4 3424 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,1,0,0,0,0|2,0,0]=4 3425 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|1,0,0]=3 3426 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,1,0,0,0,0|2,0,0]=4 3427 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,1,0,0,0,0|2,0,0]=4 3428 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,1,0,0,0,0|2,0,0]=4 3429 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,1,0,0,0,0|2,0,0]=4 3430 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|2,0,0]=4 3431 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 3432 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,1,0,0,0,0|2,0,0]=4 3433 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,1,0,0,0,0|2,0,0]=4 3434 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 3435 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,1,0,0,0,0|1,0,1]=4 3436 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|2,0,0]=4 3437 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|2,0,0]=4 3438 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|2,0,0]=4 3439 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,1,0,0,0,0|2,0,0]=4 3440 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,1,0,0,0,0|2,0,0]=4 3441 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,1,0,0,0,0|1,0,1]=4 3442 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,1,0,0,0,0|1,0,1]=4 3443 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,1,0,0,0,0|2,0,0]=4 3444 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,1,0,0,0,0|2,0,0]=4 3445 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [1,1,0,0,0,0|2,0,0]=4 3446 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|2,0,0]=4 3447 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,1,0,0,0,0|2,0,0]=4 3448 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|2,0,0]=4 3449 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|2,0,0]=4 3450 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|2,0,0]=4 3451 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,1,0,0,0,0|2,0,0]=4 3452 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,1,0,0,0,0|2,0,0]=4 3453 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,1,0,0,0,0|2,0,0]=4 3454 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,1,0,0,0,0|2,0,0]=4 3455 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,1,0,0,0,0|1,0,1]=4 3456 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|1,0,0]=3 3457 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 3458 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 3459 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,1,0,0,0,0|1,0,1]=4 3460 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,1,0,0,0,0|1,0,1]=4 3461 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,1,0,0,0,0|1,0,1]=4 3462 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,1,0,0,0,0|2,0,0]=4 3463 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,1,0,0,0,0|2,0,0]=4 3464 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,1,0,0,0,0|2,0,0]=4 3465 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,1,0,0,0,0|2,0,0]=4 3466 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,1,0,0,0,0|2,0,0]=4 3467 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,1,0,0,0,0|2,0,0]=4 3468 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,1,0,0,0,0|2,0,0]=4 3469 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 3470 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 3471 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 3472 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 3473 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,1,0,0,0,0|2,0,0]=4 3474 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,1,0,0,0,0|2,0,0]=4 3475 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,1,0,0,0,0|2,0,0]=4 3476 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,1,0,0,0,0|2,0,0]=4 3477 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,1,0,0,0,0|2,0,0]=4 3478 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,1,0,0,0,0|2,0,0]=4 3479 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,1,0,0,0,0|2,0,0]=4 3480 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,1,0,0,0,0|2,0,0]=4 3481 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,1,0,0,0,0|2,0,0]=4 3482 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,1,0,0,0,0|2,0,0]=4 3483 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,1,0,0,0,0|2,0,0]=4 3484 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,1,0,0,0,0|2,0,0]=4 3485 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,1,0,0,0,0|2,0,0]=4 3486 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,1,0,0,0,0|2,0,0]=4 3487 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,1,0,0,0,0|2,0,0]=4 3488 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|2,0,0]=4 3489 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|1,0,1]=4 3490 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|2,0,0]=4 3491 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,0]=3 3492 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|1,0,0]=3 3493 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,1,0,0,0,0|2,0,0]=4 3494 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,1,0,0,0,0|2,0,0]=4 3495 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,1,0,0,0,0|1,0,1]=4 3496 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,1,0,0,0,0|1,0,1]=4 3497 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,1,0,0,0,0|1,0,1]=4 3498 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,1,0,0,0,0|1,0,1]=4 3499 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,1,0,0,0,0|1,0,1]=4 3500 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,1,0,0,0,0|1,0,1]=4 3501 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,1,0,0,0,0|1,0,1]=4 3502 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,1,0,0,0,0|1,0,1]=4 3503 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [1,1,0,0,0,0|2,0,0]=4 3504 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 3505 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|2,0,0]=4 3506 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,0]=3 3507 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,0]=3 3508 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 3509 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 3510 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 3511 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 3512 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,1,0,0,0,0|1,0,1]=4 3513 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,1,0,0,0,0|1,0,1]=4 3514 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,1,0,0,0,0|2,0,0]=4 3515 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,1,0,0,0,0|2,0,0]=4 3516 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [1,1,0,0,0,0|1,0,1]=4 3517 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [1,1,0,0,0,0|1,0,1]=4 3518 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [1,1,0,0,0,0|2,0,0]=4 3519 B8R0.8 C=CCCN(C)C(C)C 2230a_100020639649_100000210206 [1,1,0,0,0,0|2,0,0]=4 3520 B8R0.8 C=CCCN(C)C(C)C 269982a_100020639649_100000210206 [1,1,0,0,0,0|2,0,0]=4 3521 B8R0.8 C=CCCN(C)C(C)C 269982a_200000211004_100000754431 [1,1,0,0,0,0|2,0,0]=4 3522 B8R0.8 C=CCNC(C)C(C)C 2230a_100000211541_100000210623 [1,1,0,0,0,0|2,0,0]=4 3523 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [1,1,0,0,0,0|2,0,0]=4 3524 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|0,0,2]=4 3525 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [1,1,0,0,0,0|1,0,0]=3 3526 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [1,1,0,0,0,0|1,0,1]=4 3527 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [1,1,0,0,0,0|1,0,0]=3 3528 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [1,1,0,0,0,0|1,0,1]=4 3529 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [1,1,0,0,0,0|2,0,0]=4 3530 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [1,1,0,0,0,0|1,0,1]=4 3531 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [1,1,0,0,0,0|1,0,1]=4 3532 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [1,1,0,0,0,0|1,0,1]=4 3533 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [1,1,0,0,0,0|1,0,1]=4 3534 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [1,1,0,0,0,0|1,0,1]=4 3535 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [1,1,0,0,0,0|1,0,1]=4 3536 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [1,1,0,0,0,0|1,0,1]=4 3537 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,1,0,0,0,0|2,0,0]=4 3538 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,0]=3 3539 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,0]=3 3540 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,0]=3 3541 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|1,0,0]=3 3542 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|1,0,0]=3 3543 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3544 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3545 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 3546 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|2,0,0]=4 3547 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,0]=3 3548 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 3549 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 3550 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|2,0,0]=4 3551 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,0,0,0,0|2,0,0]=4 3552 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,1,0,0,0,0|2,0,0]=4 3553 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,1,0,0,0,0|1,0,1]=4 3554 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 3555 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 3556 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 3557 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|2,0,0]=4 3558 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|2,0,0]=4 3559 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,0,0,0,0|2,0,0]=4 3560 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,0,0,0,0|2,0,0]=4 3561 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,1,0,0,0,0|2,0,0]=4 3562 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,1,0,0,0,0|2,0,0]=4 3563 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,1,0,0,0,0|1,0,1]=4 3564 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,1,0,0,0,0|1,0,1]=4 3565 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|1,0,0]=3 3566 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,0]=3 3567 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3568 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3569 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|2,0,0]=4 3570 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [1,1,0,0,0,0|2,0,0]=4 3571 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|2,0,0]=4 3572 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3573 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3574 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|2,0,0]=4 3575 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|2,0,0]=4 3576 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|2,0,0]=4 3577 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,1,0,0,0,0|2,0,0]=4 3578 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|1,0,1]=4 3579 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [1,1,0,0,0,0|2,0,0]=4 3580 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [1,1,0,0,0,0|2,0,0]=4 3581 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [1,1,0,0,0,0|2,0,0]=4 3582 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [1,1,0,0,0,0|2,0,0]=4 3583 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [1,1,0,0,0,0|2,0,0]=4 3584 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [1,1,0,0,0,0|2,0,0]=4 3585 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [1,1,0,0,0,0|2,0,0]=4 3586 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [1,1,0,0,0,0|2,0,0]=4 3587 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [1,1,0,0,0,0|2,0,0]=4 3588 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [1,1,0,0,0,0|2,0,0]=4 3589 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|0,0,2]=4 3590 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,1,0,0,0,0|2,0,0]=4 3591 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 3592 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 3593 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,1,0,0,0,0|2,0,0]=4 3594 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,1,0,0,0,0|2,0,0]=4 3595 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [1,1,0,0,0,0|1,0,1]=4 3596 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [1,1,0,0,0,0|1,0,1]=4 3597 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [1,1,0,0,0,0|1,0,1]=4 3598 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [1,1,0,0,0,0|1,0,1]=4 3599 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [1,1,0,0,0,0|1,0,1]=4 3600 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [1,1,0,0,0,0|1,0,1]=4 3601 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [1,1,0,0,0,0|1,0,1]=4 3602 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [1,1,0,0,0,0|1,0,1]=4 3603 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [1,1,0,0,0,0|1,0,1]=4 3604 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [1,1,0,0,0,0|1,0,1]=4 3605 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [1,1,0,0,0,0|1,0,1]=4 3606 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [1,1,0,0,0,0|1,0,1]=4 3607 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [1,1,0,0,0,0|1,0,1]=4 3608 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [1,1,0,0,0,0|1,0,1]=4 3609 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [1,1,0,0,0,0|1,0,1]=4 3610 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [1,1,0,0,0,0|1,0,1]=4 3611 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [1,1,0,0,0,0|1,0,1]=4 3612 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [1,1,0,0,0,0|1,0,1]=4 3613 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [1,1,0,0,0,0|1,0,1]=4 3614 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [1,1,0,0,0,0|1,0,1]=4 3615 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [1,1,0,0,0,0|1,0,1]=4 3616 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [1,1,0,0,0,0|1,0,1]=4 3617 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [1,1,0,0,0,0|1,0,1]=4 3618 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [1,1,0,0,0,0|1,0,1]=4 3619 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [1,1,0,0,0,0|1,0,1]=4 3620 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [1,1,0,0,0,0|1,0,1]=4 3621 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|1,0,1]=4 3622 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,0]=3 3623 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,0]=3 3624 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 3625 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 3626 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 3627 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|2,0,0]=4 3628 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [1,1,0,0,0,0|2,0,0]=4 3629 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [1,1,0,0,0,0|2,0,0]=4 3630 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|1,0,0]=3 3631 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|2,0,0]=4 3632 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [1,1,0,0,0,0|2,0,0]=4 3633 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [1,1,0,0,0,0|2,0,0]=4 3634 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [1,1,0,0,0,0|2,0,0]=4 3635 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [1,1,0,0,0,0|1,0,1]=4 3636 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [1,1,0,0,0,0|1,0,1]=4 3637 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|2,0,0]=4 3638 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|2,0,0]=4 3639 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|2,0,0]=4 3640 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3641 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|2,0,0]=4 3642 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 3643 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [1,1,0,0,0,0|2,0,0]=4 3644 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [1,1,0,0,0,0|2,0,0]=4 3645 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 3646 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3647 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [1,1,0,0,0,0|2,0,0]=4 3648 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|2,0,0]=4 3649 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|2,0,0]=4 3650 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,1,0,0,0,0|2,0,0]=4 3651 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,1,0,0,0,0|2,0,0]=4 3652 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,1,0,0,0,0|2,0,0]=4 3653 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,1,0,0,0,0|2,0,0]=4 3654 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 3655 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,0,0,0,0|2,0,0]=4 3656 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 3657 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,1,0,0,0,0|2,0,0]=4 3658 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,1,0,0,0,0|2,0,0]=4 3659 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,1,0,0,0,0|2,0,0]=4 3660 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,1,0,0,0,0|2,0,0]=4 3661 B8R0.21 C=CCCNC(C)(C)C 2230a_100000715429_100000754431 [1,1,0,0,0,0|2,0,0]=4 3662 B8R0.21 C=CCCOC(C)(C)C 34a_100011205117_100000210625 [1,1,0,0,0,0|2,0,0]=4 3663 B8R0.21 C=CCCOC(C)(C)C 34a_100015890283_100000754431 [1,1,0,0,0,0|2,0,0]=4 3664 B8R0.21 C=CCCOC(C)(C)C 7a_100015890283_100000754431 [1,1,0,0,0,0|2,0,0]=4 3665 B8R0.21 C=CCCSC(C)(C)C 62a_100000211941_100000754431 [1,1,0,0,0,0|2,0,0]=4 3666 B8R0.21 C=CCCSC(C)(C)C 62a_100000754431_100000211941 [1,1,0,0,0,0|2,0,0]=4 3667 B8R0.21 C=CCNCC(C)(C)C 2230a_100000743828_100000210623 [1,1,0,0,0,0|2,0,0]=4 3668 B8R0.21 C=CCNCC(C)(C)C 270004a_100020586998_100011204126 [1,1,0,0,0,0|2,0,0]=4 3669 B8R0.21 C=CCNCC(C)(C)F 2230a_100020643315_100000210623 [1,1,0,0,0,0|2,0,0]=4 3670 B8R0.21 C=CCNCC(C)(C)O 2230a_100000751335_100000210623 [1,1,0,0,0,0|2,0,0]=4 3671 B8R0.21 C=CCOCC(C)(C)C 34a_200000210373_100011219605 [1,1,0,0,0,0|2,0,0]=4 3672 B8R0.21 C=CCOCC(C)(C)F 34a_100000716592_100015514636 [1,1,0,0,0,0|2,0,0]=4 3673 B8R0.21 C=CCOCC(C)(C)F 34a_200000210373_100011997219 [1,1,0,0,0,0|2,0,0]=4 3674 B8R0.21 C=CCOCC(C)(C)O 34a_200000210373_100000764493 [1,1,0,0,0,0|2,0,0]=4 3675 B8R0.21 C=CCSCC(C)(C)C 62a_100000210623_100011219605 [1,1,0,0,0,0|2,0,0]=4 3676 B8R0.21 C=CCSCC(C)(C)C 62a_100011219605_100000210623 [1,1,0,0,0,0|2,0,0]=4 3677 B8R0.21 C=CCSCC(C)(C)F 62a_100000210623_100011997219 [1,1,0,0,0,0|2,0,0]=4 3678 B8R0.21 C=CCSCC(C)(C)F 62a_100011997219_100000210623 [1,1,0,0,0,0|2,0,0]=4 3679 B8R0.21 C=CCSCC(C)(C)O 62a_100000210623_100000764493 [1,1,0,0,0,0|2,0,0]=4 3680 B8R0.21 C=CCSCC(C)(C)O 62a_100000764493_100000210623 [1,1,0,0,0,0|2,0,0]=4 3681 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [1,1,0,0,0,0|1,0,0]=3 3682 B8R0.21 CC(C)(C)CNCCO 2230a_100000743828_100000211926 [1,1,0,0,0,0|1,0,1]=4 3683 B8R0.21 CC(C)(C)CNCCO 270004a_100000210304_100011204126 [1,1,0,0,0,0|1,0,1]=4 3684 B8R0.21 CC(C)(C)CNCCO 34a_100016990907_100011219605 [1,1,0,0,0,0|1,0,1]=4 3685 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [1,1,0,0,0,0|1,0,0]=3 3686 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [1,1,0,0,0,0|1,0,0]=3 3687 B8R0.21 CC(C)(C)CSCCO 62a_100000211926_100011219605 [1,1,0,0,0,0|1,0,1]=4 3688 B8R0.21 CC(C)(C)CSCCO 62a_100011219605_100000211926 [1,1,0,0,0,0|1,0,1]=4 3689 B8R0.21 CC(C)(C)NCCCO 2230a_100000715429_100000230001 [1,1,0,0,0,0|1,0,1]=4 3690 B8R0.21 CC(C)(C)OCCCO 34a_100015890283_100000230001 [1,1,0,0,0,0|1,0,1]=4 3691 B8R0.21 CC(C)(C)OCCCO 7a_100015890283_100011215043 [1,1,0,0,0,0|1,0,1]=4 3692 B8R0.21 CC(C)(C)SCCCO 62a_100000211941_100011215043 [1,1,0,0,0,0|1,0,1]=4 3693 B8R0.21 CC(C)(C)SCCCO 62a_100011215043_100000211941 [1,1,0,0,0,0|1,0,1]=4 3694 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [1,1,0,0,0,0|1,0,0]=3 3695 B8R0.21 CC(C)(F)CNCCO 2230a_100020643315_100000211926 [1,1,0,0,0,0|1,0,1]=4 3696 B8R0.21 CC(C)(F)CNCCO 34a_100016990907_100011997219 [1,1,0,0,0,0|1,0,1]=4 3697 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [1,1,0,0,0,0|1,0,0]=3 3698 B8R0.21 CC(C)(F)COCCO 34a_100000716592_100000211926 [1,1,0,0,0,0|1,0,1]=4 3699 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [1,1,0,0,0,0|1,0,0]=3 3700 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [1,1,0,0,0,0|1,0,0]=3 3701 B8R0.21 CC(C)(F)CSCCO 62a_100000211926_100011997219 [1,1,0,0,0,0|1,0,1]=4 3702 B8R0.21 CC(C)(F)CSCCO 62a_100011997219_100000211926 [1,1,0,0,0,0|1,0,1]=4 3703 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|2,0,0]=4 3704 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|2,0,0]=4 3705 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [1,1,0,0,0,0|1,0,0]=3 3706 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [1,1,0,0,0,0|1,0,1]=4 3707 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [1,1,0,0,0,0|1,0,1]=4 3708 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [1,1,0,0,0,0|1,0,0]=3 3709 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [1,1,0,0,0,0|1,0,0]=3 3710 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [1,1,0,0,0,0|1,0,1]=4 3711 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [1,1,0,0,0,0|1,0,1]=4 3712 B8R0.21 CC(F)(F)COCC=O 34a_100000068830_200009817547 [1,1,0,0,0,0|2,0,0]=4 3713 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [1,1,0,0,0,0|2,0,0]=4 3714 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [1,1,0,0,0,0|2,0,0]=4 3715 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [1,1,0,0,0,0|2,0,0]=4 3716 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [1,1,0,0,0,0|2,0,0]=4 3717 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|2,0,0]=4 3718 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|2,0,0]=4 3719 B8R0.21 C[N+](C)(C)CSCC=O 62a_200000036245_200015260668 [1,1,0,0,0,0|2,0,0]=4 3720 B8R0.21 C[N+](C)(C)CSCC=O 62a_200015260668_200000036245 [1,1,0,0,0,0|2,0,0]=4 3721 B8R0.21 C[Si](C)(C)CSCC=O 62a_100000037933_200015260668 [1,1,0,0,0,0|1,1,0]=4 3722 B8R0.21 C[Si](C)(C)CSCC=O 62a_200015260668_100000037933 [1,1,0,0,0,0|1,1,0]=4 3723 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,1,0|1,0,0]=3 3724 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,1,0|2,0,0]=4 3725 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,1,0|2,0,0]=4 3726 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,1,0|2,0,0]=4 3727 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,1,0|2,0,0]=4 3728 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,1,0|2,0,0]=4 3729 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,1,0|1,0,1]=4 3730 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,1,0|2,0,0]=4 3731 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,1,0|2,0,0]=4 3732 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,1,0|2,0,0]=4 3733 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,1,0|2,0,0]=4 3734 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,1,0|2,0,0]=4 3735 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,1,0|2,0,0]=4 3736 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,1,0|2,0,0]=4 3737 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,1,0|2,0,0]=4 3738 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,1,0|2,0,0]=4 3739 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,1,0|2,0,0]=4 3740 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,1,0|1,0,0]=3 3741 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,1,0|1,0,1]=4 3742 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,1,0|1,0,1]=4 3743 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,1,0|0,0,2]=4 3744 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,1,0|1,0,0]=3 3745 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,1,0|2,0,0]=4 3746 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,1,0|2,0,0]=4 3747 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,1,0|1,0,0]=3 3748 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,1,0|2,0,0]=4 3749 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,1,0|1,0,1]=4 3750 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,1,0|2,0,0]=4 3751 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,1,0|2,0,0]=4 3752 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,1,0|2,0,0]=4 3753 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,1,0|2,0,0]=4 3754 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,1,0|1,0,1]=4 3755 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,1,0|1,0,0]=3 3756 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,1,0|2,0,0]=4 3757 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,1,0|2,0,0]=4 3758 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,1,0|2,0,0]=4 3759 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,1,0|2,0,0]=4 3760 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,1,0|1,0,1]=4 3761 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,1,0|1,0,1]=4 3762 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,1,0|2,0,0]=4 3763 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,1,0|2,0,0]=4 3764 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,1,0|2,0,0]=4 3765 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,1,0|2,0,0]=4 3766 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,1,0|2,0,0]=4 3767 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,1,0|2,0,0]=4 3768 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,1,0|1,0,1]=4 3769 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,1,0|1,0,1]=4 3770 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,1,0|2,0,0]=4 3771 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,1,0|2,0,0]=4 3772 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,1,0|1,0,0]=3 3773 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,1,0|1,0,0]=3 3774 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,1,0,0,1,0|2,0,0]=4 3775 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,1,0|2,0,0]=4 3776 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,1,0|1,1,0]=4 3777 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,1,0|1,1,0]=4 3778 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,1,0|2,0,0]=4 3779 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,1,0|2,0,0]=4 3780 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,0,0,1,0|2,0,0]=4 3781 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,0,0,1,0|2,0,0]=4 3782 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,0,0,1,0|2,0,0]=4 3783 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,0,0,1,0|2,0,0]=4 3784 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,0,0,1,0|2,0,0]=4 3785 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,0,0,1,0|2,0,0]=4 3786 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,0,0,1,0|2,0,0]=4 3787 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,0,0,1,0|2,0,0]=4 3788 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,1,0|2,0,0]=4 3789 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,1,0|2,0,0]=4 3790 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,1,0|2,0,0]=4 3791 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,1,0|1,0,0]=3 3792 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,1,0,0,1,0|2,0,0]=4 3793 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,0,0,1,0|1,0,0]=3 3794 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,1,0,0,1,0|2,0,0]=4 3795 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,1,0,0,1,0|2,0,0]=4 3796 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,1,0|2,0,0]=4 3797 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,1,0,0,1,0|1,0,1]=4 3798 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,1,0,0,1,0|2,0,0]=4 3799 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,1,0,0,1,0|2,0,0]=4 3800 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,1,0,0,1,0|1,0,1]=4 3801 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,1,0,0,1,0|1,0,1]=4 3802 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,1,0,0,1,0|2,0,0]=4 3803 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,1,0|1,1,0]=4 3804 B10R0.15 C=C(Br)CCOCC(C)(C)C 34a_100009813270_100011219605 [0,1,0,0,0,1|2,0,0]=4 3805 B10R0.15 C=C(Br)CCOCC(C)(C)F 34a_100009813270_100011997219 [0,1,0,0,0,1|2,0,0]=4 3806 B10R0.15 C=C(Br)CCOCC(C)(C)O 34a_100009813270_100000764493 [0,1,0,0,0,1|2,0,0]=4 3807 B10R0.15 C=C(C)CCNCC(C)(C)C 2230a_100000743828_100000730704 [0,1,0,0,0,1|2,0,0]=4 3808 B10R0.15 C=C(C)CCNCC(C)(C)F 2230a_100020643315_100000730704 [0,1,0,0,0,1|2,0,0]=4 3809 B10R0.15 C=C(C)CCNCC(C)(C)O 2230a_100000751335_100000730704 [0,1,0,0,0,1|2,0,0]=4 3810 B10R0.15 C=C(C)CCOCC(C)(C)C 34a_100000764851_100011219605 [0,1,0,0,0,1|2,0,0]=4 3811 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000716592_100000730704 [0,1,0,0,0,1|2,0,0]=4 3812 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000764851_100011997219 [0,1,0,0,0,1|2,0,0]=4 3813 B10R0.15 C=C(C)CCOCC(C)(C)O 34a_100000764851_100000764493 [0,1,0,0,0,1|2,0,0]=4 3814 B10R0.15 C=C(C)CCSCC(C)(C)C 62a_100000730704_100011219605 [0,1,0,0,0,1|2,0,0]=4 3815 B10R0.15 C=C(C)CCSCC(C)(C)C 62a_100011219605_100000730704 [0,1,0,0,0,1|2,0,0]=4 3816 B10R0.15 C=C(C)CCSCC(C)(C)F 62a_100000730704_100011997219 [0,1,0,0,0,1|2,0,0]=4 3817 B10R0.15 C=C(C)CCSCC(C)(C)F 62a_100011997219_100000730704 [0,1,0,0,0,1|2,0,0]=4 3818 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000730704_100000764493 [0,1,0,0,0,1|2,0,0]=4 3819 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000764493_100000730704 [0,1,0,0,0,1|2,0,0]=4 3820 B10R0.15 C=C(C)CNCCC(C)(C)C 2230a_100000738805_100000748629 [0,1,0,0,0,1|2,0,0]=4 3821 B10R0.15 C=C(C)CNCCC(C)(C)F 2230a_100016253952_100000748629 [0,1,0,0,0,1|2,0,0]=4 3822 B10R0.15 C=C(C)COCCC(C)(C)C 34a_100000210245_100000755188 [0,1,0,0,0,1|2,0,0]=4 3823 B10R0.15 C=C(C)COCCC(C)(C)C 7a_100000765024_100000748629 [0,1,0,0,0,1|2,0,0]=4 3824 B10R0.15 C=C(C)COCCC(C)(C)O 34a_100000210245_100000702414 [0,1,0,0,0,1|2,0,0]=4 3825 B10R0.15 C=C(C)CSCCC(C)(C)C 62a_100000748629_100000755188 [0,1,0,0,0,1|2,0,0]=4 3826 B10R0.15 C=C(C)CSCCC(C)(C)C 62a_100000755188_100000211660 [0,1,0,0,0,1|2,0,0]=4 3827 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000702414_100000211660 [0,1,0,0,0,1|2,0,0]=4 3828 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000748629_100000702414 [0,1,0,0,0,1|2,0,0]=4 3829 B10R0.15 C=C(F)CNCCC(C)(C)C 2230a_100000738805_100009893438 [0,1,0,0,0,1|2,0,0]=4 3830 B10R0.15 C=C(F)CNCCC(C)(C)F 2230a_100016253952_100009893438 [0,1,0,0,0,1|2,0,0]=4 3831 B10R0.15 C=C(F)COCCC(C)(C)C 34a_200010262243_100000755188 [0,1,0,0,0,1|2,0,0]=4 3832 B10R0.15 C=C(F)COCCC(C)(C)C 7a_100000765024_100000042424 [0,1,0,0,0,1|2,0,0]=4 3833 B10R0.15 C=C(F)COCCC(C)(C)O 34a_200010262243_100000702414 [0,1,0,0,0,1|2,0,0]=4 3834 B10R0.15 C=C(F)CSCCC(C)(C)C 62a_100000042424_100000755188 [0,1,0,0,0,1|2,0,0]=4 3835 B10R0.15 C=C(F)CSCCC(C)(C)C 62a_100000755188_100000042424 [0,1,0,0,0,1|2,0,0]=4 3836 B10R0.15 C=C(F)CSCCC(C)(C)O 62a_100000042424_100000702414 [0,1,0,0,0,1|2,0,0]=4 3837 B10R0.15 C=C(F)CSCCC(C)(C)O 62a_100000702414_100000042424 [0,1,0,0,0,1|2,0,0]=4 3838 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100000759063_100000210625 [0,1,0,0,0,1|1,0,0]=3 3839 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100015890283_100000685027 [0,1,0,0,0,1|1,0,0]=3 3840 B10R0.15 CC(=O)CCCOC(C)(C)C 7a_100015890283_100011215641 [0,1,0,0,0,1|1,0,0]=3 3841 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100000211941_100011215641 [0,1,0,0,0,1|1,0,0]=3 3842 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100011215641_100000211941 [0,1,0,0,0,1|1,0,0]=3 3843 B10R0.15 CC(=O)CCOCC(C)(C)C 34a_100000759926_100011219605 [0,1,0,0,0,1|1,0,0]=3 3844 B10R0.15 CC(=O)CCOCC(C)(C)F 34a_100000759926_100011997219 [0,1,0,0,0,1|1,0,0]=3 3845 B10R0.15 CC(=O)CCOCC(C)(C)O 34a_100000759926_100000764493 [0,1,0,0,0,1|1,0,0]=3 3846 B10R0.15 CC(=O)CCOCC(C)(C)O 7a_100000759926_100000764493 [0,1,0,0,0,1|1,0,0]=3 3847 B10R0.15 CC(=O)CCOC[Si](C)(C)C 7a_100000759926_100000233785 [0,1,0,0,0,1|1,1,0]=4 3848 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100000053229_100011219605 [0,1,0,0,0,1|1,0,0]=3 3849 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100011219605_100000053229 [0,1,0,0,0,1|1,0,0]=3 3850 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100000053229_100011997219 [0,1,0,0,0,1|1,0,0]=3 3851 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100011997219_100000053229 [0,1,0,0,0,1|1,0,0]=3 3852 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000053229_100000764493 [0,1,0,0,0,1|1,0,0]=3 3853 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000764493_100000053229 [0,1,0,0,0,1|1,0,0]=3 3854 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_100000053229_200000036245 [0,1,0,0,0,1|2,0,0]=4 3855 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_200000036245_100000053229 [0,1,0,0,0,1|2,0,0]=4 3856 B10R0.15 CC(=O)CCSC[Si](C)(C)C 62a_100000037933_100000053229 [0,1,0,0,0,1|1,1,0]=4 3857 B10R0.15 CC(=O)CCSC[Si](C)(C)C 62a_100000053229_100000037933 [0,1,0,0,0,1|1,1,0]=4 3858 B10R0.15 CC(=O)COCCC(C)(C)C 34a_100000211253_100000755188 [0,1,0,0,0,1|1,0,0]=3 3859 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [0,1,0,0,0,1|1,0,0]=3 3860 B10R0.15 CC(=O)COCC[N+](C)(C)C 34a_100000211253_100000085578 [0,1,0,0,0,1|2,0,0]=4 3861 B10R0.15 CC(=O)COCC[Si](C)(C)C 1458a_100000070787_100000032501 [0,1,0,0,0,1|1,1,0]=4 3862 B10R0.15 CC(=O)COCC[Si](C)(C)C 34a_100000211253_200000733723 [0,1,0,0,0,1|1,1,0]=4 3863 B10R0.15 CC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100015343762 [0,1,0,0,0,1|1,1,0]=4 3864 B10R0.15 CC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100015343762 [0,1,0,0,0,1|1,1,0]=4 3865 B10R0.15 CC(=O)NCCC[Si](C)(C)C 527a_100000725946_100103153847 [0,1,0,0,0,1|1,1,0]=4 3866 B10R0.15 CC(=O)NCCNC(C)(C)C 2230a_100000715429_100000189650 [0,1,0,0,0,1|2,0,0]=4 3867 B10R0.15 CC(=O)NCCOC(C)(C)C 11a_100000747557_100015343762 [0,1,0,0,0,1|2,0,0]=4 3868 B10R0.15 CC(=O)NCCOC(C)(C)C 1626a_100000747557_100015343762 [0,1,0,0,0,1|2,0,0]=4 3869 B10R0.15 CC(=O)NCCOC(C)(C)C 240690a_100000747557_100015343762 [0,1,0,0,0,1|2,0,0]=4 3870 B10R0.15 CC(=O)NCCOC(C)(C)C 34a_100000158858_100000210625 [0,1,0,0,0,1|2,0,0]=4 3871 B10R0.15 CC(=O)NCCOC(C)(C)C 527a_100000747557_100103153847 [0,1,0,0,0,1|2,0,0]=4 3872 B10R0.15 CC(=O)NCCOC(C)(C)C 7a_100015890283_100000189650 [0,1,0,0,0,1|2,0,0]=4 3873 B10R0.15 CC(=O)NCCSC(C)(C)C 11a_100000689375_100015343762 [0,1,0,0,0,1|2,0,0]=4 3874 B10R0.15 CC(=O)NCCSC(C)(C)C 1626a_100000689375_100015343762 [0,1,0,0,0,1|2,0,0]=4 3875 B10R0.15 CC(=O)NCCSC(C)(C)C 240690a_100000689375_100015343762 [0,1,0,0,0,1|2,0,0]=4 3876 B10R0.15 CC(=O)NCCSC(C)(C)C 527a_100000689375_100103153847 [0,1,0,0,0,1|2,0,0]=4 3877 B10R0.15 CC(=O)NCCSC(C)(C)C 62a_100000189650_100000211941 [0,1,0,0,0,1|2,0,0]=4 3878 B10R0.15 CC(=O)NCCSC(C)(C)C 62a_100000211941_100000189650 [0,1,0,0,0,1|2,0,0]=4 3879 B10R0.15 CC(=O)OCCOC(C)(C)C 34a_100015890283_100009814007 [0,1,0,0,0,1|2,0,0]=4 3880 B10R0.15 CC(=O)OCCOC(C)(C)C 7a_100015890283_100009814007 [0,1,0,0,0,1|2,0,0]=4 3881 B10R0.15 CC(=O)OCCSC(C)(C)C 62a_100000211941_100009814007 [0,1,0,0,0,1|2,0,0]=4 3882 B10R0.15 CC(=O)OCCSC(C)(C)C 62a_100009814007_100000211941 [0,1,0,0,0,1|2,0,0]=4 3883 B10R0.15 CC(=O)OCOCC(C)(C)F 34a_100000716592_100009813279 [0,1,0,0,0,1|2,0,0]=4 3884 B10R0.15 CC(=O)OCSCC(C)(C)C 62a_100000076356_100011219605 [0,1,0,0,0,1|2,0,0]=4 3885 B10R0.15 CC(=O)OCSCC(C)(C)C 62a_100011219605_100000076356 [0,1,0,0,0,1|2,0,0]=4 3886 B10R0.15 CC(=O)OCSCC(C)(C)F 62a_100000076356_100011997219 [0,1,0,0,0,1|2,0,0]=4 3887 B10R0.15 CC(=O)OCSCC(C)(C)F 62a_100011997219_100000076356 [0,1,0,0,0,1|2,0,0]=4 3888 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000076356_100000764493 [0,1,0,0,0,1|2,0,0]=4 3889 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000764493_100000076356 [0,1,0,0,0,1|2,0,0]=4 3890 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000711301_100000755188 [0,1,0,0,0,1|1,0,0]=3 3891 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000738805_100000747473 [0,1,0,0,0,1|1,0,0]=3 3892 B10R0.15 CC(C)(C)CCNCC(=O)O 269956a_100016091260_100000755188 [0,1,0,0,0,1|0,0,0]=2 3893 B10R0.15 CC(C)(C)CCOCC(=O)N 7a_100000765024_100000187820 [0,1,0,0,0,1|1,0,0]=3 3894 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000747473_100000755188 [0,1,0,0,0,1|1,0,0]=3 3895 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000755188_100000747473 [0,1,0,0,0,1|1,0,0]=3 3896 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100000755188_100020667443 [0,1,0,0,0,1|0,0,1]=3 3897 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100020667443_100000755188 [0,1,0,0,0,1|0,0,1]=3 3898 B10R0.15 CC(C)(C)CCSC[N+](=O)[O-] 62a_100000755188_100000761209 [0,1,0,0,0,1|1,0,1]=4 3899 B10R0.15 CC(C)(C)CNCCC(=O)N 2230a_100000743828_100000744528 [0,1,0,0,0,1|1,0,0]=3 3900 B10R0.15 CC(C)(C)CNOCC(=O)O 269956a_100000106656_100011219605 [0,1,0,0,0,1|1,0,0]=3 3901 B10R0.15 CC(C)(C)COCCC(=O)N 34a_100000757172_100011219605 [0,1,0,0,0,1|1,0,0]=3 3902 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100000744528_100011219605 [0,1,0,0,0,1|1,0,0]=3 3903 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100011219605_100000744528 [0,1,0,0,0,1|1,0,0]=3 3904 B10R0.15 CC(C)(C)NCCCC(=O)N 34a_100000739312_100000210625 [0,1,0,0,0,1|1,0,0]=3 3905 B10R0.15 CC(C)(C)NCCNC(=O)N 2230a_100000715429_200000034859 [0,1,0,0,0,1|2,0,0]=4 3906 B10R0.15 CC(C)(C)NCCNC(=O)N 34a_100020590234_100000210625 [0,1,0,0,0,1|2,0,0]=4 3907 B10R0.15 CC(C)(C)OCCCC(=O)N 34a_100015890283_100102525003 [0,1,0,0,0,1|1,0,0]=3 3908 B10R0.15 CC(C)(C)OCCCC(=O)N 7a_100015890283_100102525003 [0,1,0,0,0,1|1,0,0]=3 3909 B10R0.15 CC(C)(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210625 [0,1,0,0,0,1|1,0,1]=4 3910 B10R0.15 CC(C)(C)OCCNC(=O)N 34a_100000181757_100000210625 [0,1,0,0,0,1|2,0,0]=4 3911 B10R0.15 CC(C)(C)OCCNC(=O)N 7a_100015890283_200000034859 [0,1,0,0,0,1|2,0,0]=4 3912 B10R0.15 CC(C)(C)OCCOC(=O)N 34a_100015890283_200011214921 [0,1,0,0,0,1|2,0,0]=4 3913 B10R0.15 CC(C)(C)OCCOC(=O)N 7a_100015890283_200011214921 [0,1,0,0,0,1|2,0,0]=4 3914 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100000211941_100102525003 [0,1,0,0,0,1|1,0,0]=3 3915 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100102525003_100000211941 [0,1,0,0,0,1|1,0,0]=3 3916 B10R0.15 CC(C)(C)SCCNC(=O)N 62a_100000211941_200000034859 [0,1,0,0,0,1|2,0,0]=4 3917 B10R0.15 CC(C)(C)SCCNC(=O)N 62a_200000034859_100000211941 [0,1,0,0,0,1|2,0,0]=4 3918 B10R0.15 CC(C)(C)SCCOC(=O)N 62a_100000211941_200011214921 [0,1,0,0,0,1|2,0,0]=4 3919 B10R0.15 CC(C)(C)SCCOC(=O)N 62a_200011214921_100000211941 [0,1,0,0,0,1|2,0,0]=4 3920 B10R0.15 CC(C)(F)CCNCC(=O)N 2230a_100016253952_100000747473 [0,1,0,0,0,1|1,0,0]=3 3921 B10R0.15 CC(C)(F)CNCCC(=O)N 2230a_100020643315_100000744528 [0,1,0,0,0,1|1,0,0]=3 3922 B10R0.15 CC(C)(F)CNOCC(=O)O 269956a_100000106656_100011997219 [0,1,0,0,0,1|1,0,0]=3 3923 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000716592_100000731001 [0,1,0,0,0,1|1,0,0]=3 3924 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000757172_100011997219 [0,1,0,0,0,1|1,0,0]=3 3925 B10R0.15 CC(C)(F)CSCCC(=O)N 62a_100000744528_100011997219 [0,1,0,0,0,1|1,0,0]=3 3926 B10R0.15 CC(C)(F)CSCCC(=O)N 62a_100011997219_100000744528 [0,1,0,0,0,1|1,0,0]=3 3927 B10R0.15 CC(C)(O)CCNCC(=O)N 2230a_100000711301_100000702414 [0,1,0,0,0,1|1,0,0]=3 3928 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [0,1,0,0,0,1|0,0,0]=2 3929 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000702414_100000747473 [0,1,0,0,0,1|1,0,0]=3 3930 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000747473_100000702414 [0,1,0,0,0,1|1,0,0]=3 3931 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100000702414_100020667443 [0,1,0,0,0,1|0,0,1]=3 3932 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100020667443_100000702414 [0,1,0,0,0,1|0,0,1]=3 3933 B10R0.15 CC(C)(O)CCSC[N+](=O)[O-] 62a_100000702414_100000761209 [0,1,0,0,0,1|1,0,1]=4 3934 B10R0.15 CC(C)(O)CNCCC(=O)N 2230a_100000751335_100000744528 [0,1,0,0,0,1|1,0,0]=3 3935 B10R0.15 CC(C)(O)CNOCC(=O)O 269956a_100000106656_100000764493 [0,1,0,0,0,1|1,0,0]=3 3936 B10R0.15 CC(C)(O)COCCC(=O)N 34a_100000757172_100000764493 [0,1,0,0,0,1|1,0,0]=3 3937 B10R0.15 CC(C)(O)COCCC(=O)N 7a_100000757172_100000764493 [0,1,0,0,0,1|1,0,0]=3 3938 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000744528_100000764493 [0,1,0,0,0,1|1,0,0]=3 3939 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000764493_100000744528 [0,1,0,0,0,1|1,0,0]=3 3940 B10R0.15 CC(C)CCCNS(=O)(=O)C 40a_200000737386_100000738038 [0,1,0,0,0,1|1,0,1]=4 3941 B10R0.15 CC(C)CCNCC(C)(C)O 2230a_100000751335_100000210312 [0,1,0,0,0,1|1,0,1]=4 3942 B10R0.15 CC(C)CCNCC(C)(C)O 269862a_100000751335_100000185833 [0,1,0,0,0,1|1,0,1]=4 3943 B10R0.15 CC(C)CCOCC(C)(C)O 34a_100000210254_100000764493 [0,1,0,0,0,1|1,0,1]=4 3944 B10R0.15 CC(C)CCOCC(C)(C)O 7a_100000210254_100000764493 [0,1,0,0,0,1|1,0,1]=4 3945 B10R0.15 CC(C)CCOCS(=O)(=O)[O-] 34a_100000210254_100009817235 [0,1,0,0,0,1|1,0,1]=4 3946 B10R0.15 CC(C)CCSCC(C)(C)O 62a_100000210312_100000764493 [0,1,0,0,0,1|1,0,1]=4 3947 B10R0.15 CC(C)CCSCC(C)(C)O 62a_100000764493_100000210312 [0,1,0,0,0,1|1,0,1]=4 3948 B10R0.15 CC(C)CCSCS(=O)(=O)N 62a_100000210312_100000741382 [0,1,0,0,0,1|1,0,1]=4 3949 B10R0.15 CC(C)CCSCS(=O)(=O)N 62a_100000741382_100000210312 [0,1,0,0,0,1|1,0,1]=4 3950 B10R0.15 CC(C)CCSCS(=O)(=O)[O-] 62a_100000210312_100009817235 [0,1,0,0,0,1|1,0,1]=4 3951 B10R0.15 CC(C)CCSCS(=O)(=O)[O-] 62a_100009817235_100000210312 [0,1,0,0,0,1|1,0,1]=4 3952 B10R0.15 CC(C)CNCCC(C)(C)O 2230a_100000210953_100000702414 [0,1,0,0,0,1|1,0,1]=4 3953 B10R0.15 CC(C)CNCCC(C)(C)O 270004a_100000707701_100000210432 [0,1,0,0,0,1|1,0,1]=4 3954 B10R0.15 CC(C)CNCCC(C)(C)O 34a_100000210953_100000702414 [0,1,0,0,0,1|1,0,1]=4 3955 B10R0.15 CC(C)CNCCS(=O)(=O)C 2230a_100000210953_100000731031 [0,1,0,0,0,1|1,0,1]=4 3956 B10R0.15 CC(C)CNCCS(=O)(=O)C 2230a_100000740961_100000210760 [0,1,0,0,0,1|1,0,1]=4 3957 B10R0.15 CC(C)CNCCS(=O)(=O)C 270004a_100000740961_100000210432 [0,1,0,0,0,1|1,0,1]=4 3958 B10R0.15 CC(C)CNCCS(=O)(=O)C 34a_100000210953_100000731031 [0,1,0,0,0,1|1,0,1]=4 3959 B10R0.15 CC(C)CNCCS(=O)(=O)C 34a_100000740961_100000210624 [0,1,0,0,0,1|1,0,1]=4 3960 B10R0.15 CC(C)CNCCS(=O)(=O)N 2230a_100000738205_100000210760 [0,1,0,0,0,1|1,0,1]=4 3961 B10R0.15 CC(C)CNCCS(=O)(=O)N 270004a_100000738205_100000210432 [0,1,0,0,0,1|1,0,1]=4 3962 B10R0.15 CC(C)CNCCS(=O)(=O)N 34a_100000738205_100000210624 [0,1,0,0,0,1|1,0,1]=4 3963 B10R0.15 CC(C)CNCCS(=O)(=O)[O-] 2230a_100000210953_100000737633 [0,1,0,0,0,1|1,0,1]=4 3964 B10R0.15 CC(C)CNCCS(=O)(=O)[O-] 34a_100000210953_100000762736 [0,1,0,0,0,1|1,0,1]=4 3965 B10R0.15 CC(C)COCCC(C)(C)O 34a_100000210257_100000702414 [0,1,0,0,0,1|1,0,1]=4 3966 B10R0.15 CC(C)COCCS(=O)(=O)C 34a_100000210257_100000731031 [0,1,0,0,0,1|1,0,1]=4 3967 B10R0.15 CC(C)COCCS(=O)(=O)C 34a_100000211924_100000210624 [0,1,0,0,0,1|1,0,1]=4 3968 B10R0.15 CC(C)COCCS(=O)(=O)C 7a_100000211924_100000210760 [0,1,0,0,0,1|1,0,1]=4 3969 B10R0.15 CC(C)COCCS(=O)(=O)N 34a_100012334274_100000210624 [0,1,0,0,0,1|1,0,1]=4 3970 B10R0.15 CC(C)COCCS(=O)(=O)[O-] 34a_100000210257_100000762736 [0,1,0,0,0,1|1,0,1]=4 3971 B10R0.15 CC(C)CSCCC(C)(C)O 62a_100000210624_100000702414 [0,1,0,0,0,1|1,0,1]=4 3972 B10R0.15 CC(C)CSCCC(C)(C)O 62a_100000702414_100000210760 [0,1,0,0,0,1|1,0,1]=4 3973 B10R0.15 CC(C)CSCCS(=O)(=O)C 62a_100000210624_100000230027 [0,1,0,0,0,1|1,0,1]=4 3974 B10R0.15 CC(C)CSCCS(=O)(=O)C 62a_100000731031_100000210760 [0,1,0,0,0,1|1,0,1]=4 3975 B10R0.15 CC(C)CSCCS(=O)(=O)[O-] 62a_100000210624_100000762736 [0,1,0,0,0,1|1,0,1]=4 3976 B10R0.15 CC(C)CSCCS(=O)(=O)[O-] 62a_100000762736_100000210760 [0,1,0,0,0,1|1,0,1]=4 3977 B10R0.15 CC(C)NCCCC(C)(C)O 2230a_100138425928_100009888830 [0,1,0,0,0,1|1,0,1]=4 3978 B10R0.15 CC(C)NCCCC(C)(C)O 34a_100138425928_100009888830 [0,1,0,0,0,1|1,0,1]=4 3979 B10R0.15 CC(C)NCCCS(=O)(=O)C 2230a_100000742409_100000210206 [0,1,0,0,0,1|1,0,1]=4 3980 B10R0.15 CC(C)NCCCS(=O)(=O)C 2230a_100138425928_100000754308 [0,1,0,0,0,1|1,0,1]=4 3981 B10R0.15 CC(C)NCCCS(=O)(=O)C 34a_100000742409_100000210206 [0,1,0,0,0,1|1,0,1]=4 3982 B10R0.15 CC(C)NCCCS(=O)(=O)C 34a_100138425928_100000754308 [0,1,0,0,0,1|1,0,1]=4 3983 B10R0.15 CC(C)NCCCS(=O)(=O)N 2230a_100138425928_100000750626 [0,1,0,0,0,1|1,0,1]=4 3984 B10R0.15 CC(C)NCCCS(=O)(=O)N 34a_100138425928_100000750626 [0,1,0,0,0,1|1,0,1]=4 3985 B10R0.15 CC(C)NCCCS(=O)(=O)[O-] 34a_100138425928_100009813499 [0,1,0,0,0,1|1,0,1]=4 3986 B10R0.15 CC(C)OCCCC(C)(C)O 34a_100000212225_100009888830 [0,1,0,0,0,1|1,0,1]=4 3987 B10R0.15 CC(C)OCCCS(=O)(=O)C 34a_100000212225_100000754308 [0,1,0,0,0,1|1,0,1]=4 3988 B10R0.15 CC(C)OCCCS(=O)(=O)C 34a_100000689940_100000210206 [0,1,0,0,0,1|1,0,1]=4 3989 B10R0.15 CC(C)OCCCS(=O)(=O)C 7a_100000689940_100000210206 [0,1,0,0,0,1|1,0,1]=4 3990 B10R0.15 CC(C)OCCCS(=O)(=O)N 34a_100000212225_100000750626 [0,1,0,0,0,1|1,0,1]=4 3991 B10R0.15 CC(C)OCCCS(=O)(=O)[O-] 34a_100000212225_100009813499 [0,1,0,0,0,1|1,0,1]=4 3992 B10R0.15 CC(C)SCCCC(C)(C)O 62a_100000210206_100009888830 [0,1,0,0,0,1|1,0,1]=4 3993 B10R0.15 CC(C)SCCCC(C)(C)O 62a_100009888830_100000210206 [0,1,0,0,0,1|1,0,1]=4 3994 B10R0.15 CC(C)SCCCS(=O)(=O)C 62a_100000210206_100000754308 [0,1,0,0,0,1|1,0,1]=4 3995 B10R0.15 CC(C)SCCCS(=O)(=O)C 62a_100000754308_100000210206 [0,1,0,0,0,1|1,0,1]=4 3996 B10R0.15 CC(C)SCCCS(=O)(=O)N 62a_100000210206_100000750626 [0,1,0,0,0,1|1,0,1]=4 3997 B10R0.15 CC(C)SCCCS(=O)(=O)N 62a_100000750626_100000210206 [0,1,0,0,0,1|1,0,1]=4 3998 B10R0.15 CC(C)SCCCS(=O)(=O)[O-] 62a_100000210206_100009813499 [0,1,0,0,0,1|1,0,1]=4 3999 B10R0.15 CC(C)SCCCS(=O)(=O)[O-] 62a_100009813499_100000210206 [0,1,0,0,0,1|1,0,1]=4 4000 B10R0.15 CC(F)(F)COCCC(=O)N 34a_100000068830_100000731001 [0,1,0,0,0,1|2,0,0]=4 4001 B10R0.15 CC(O)CCCNC(C)(C)C 2230a_100000715429_200000718107 [0,1,0,0,0,1|1,0,1]=4 4002 B10R0.15 CC(O)CCCOC(C)(C)C 34a_100015890283_200000718107 [0,1,0,0,0,1|1,0,1]=4 4003 B10R0.15 CC(O)CCCOC(C)(C)C 7a_100015890283_200000718107 [0,1,0,0,0,1|1,0,1]=4 4004 B10R0.15 CC(O)CCCSC(C)(C)C 62a_100000211941_200000718107 [0,1,0,0,0,1|1,0,1]=4 4005 B10R0.15 CC(O)CCCSC(C)(C)C 62a_200000718107_100000211941 [0,1,0,0,0,1|1,0,1]=4 4006 B10R0.15 CC(O)CCNCC(C)(C)C 2230a_100000743828_100012276601 [0,1,0,0,0,1|1,0,1]=4 4007 B10R0.15 CC(O)CCNCC(C)(C)C 270004a_200000755665_100011204126 [0,1,0,0,0,1|1,0,1]=4 4008 B10R0.15 CC(O)CCNCC(C)(C)F 2230a_100020643315_100012276601 [0,1,0,0,0,1|1,0,1]=4 4009 B10R0.15 CC(O)CCNCC(C)(C)O 2230a_100000751335_100012276601 [0,1,0,0,0,1|1,0,1]=4 4010 B10R0.15 CC(O)CCOCC(C)(C)F 34a_100000716592_100012276601 [0,1,0,0,0,1|1,0,1]=4 4011 B10R0.15 CC(O)CCSCC(C)(C)C 62a_100011219605_100012276601 [0,1,0,0,0,1|1,0,1]=4 4012 B10R0.15 CC(O)CCSCC(C)(C)C 62a_100012276601_100011219605 [0,1,0,0,0,1|1,0,1]=4 4013 B10R0.15 CC(O)CCSCC(C)(C)F 62a_100011997219_100012276601 [0,1,0,0,0,1|1,0,1]=4 4014 B10R0.15 CC(O)CCSCC(C)(C)F 62a_100012276601_100011997219 [0,1,0,0,0,1|1,0,1]=4 4015 B10R0.15 CC(O)CCSCC(C)(C)O 62a_100000764493_100012276601 [0,1,0,0,0,1|1,0,1]=4 4016 B10R0.15 CC(O)CCSCC(C)(C)O 62a_100012276601_100000764493 [0,1,0,0,0,1|1,0,1]=4 4017 B10R0.15 CC(O)CNCCC(C)(C)C 2230a_100000210904_100000755188 [0,1,0,0,0,1|1,0,1]=4 4018 B10R0.15 CC(O)CNCCC(C)(C)C 2230a_100000738805_100011218427 [0,1,0,0,0,1|1,0,1]=4 4019 B10R0.15 CC(O)CNCCC(C)(C)C 34a_100000210904_100000755188 [0,1,0,0,0,1|1,0,1]=4 4020 B10R0.15 CC(O)CNCCC(C)(C)F 2230a_100016253952_100011218427 [0,1,0,0,0,1|1,0,1]=4 4021 B10R0.15 CC(O)CNCCC(C)(C)O 2230a_100000210904_100000702414 [0,1,0,0,0,1|1,0,1]=4 4022 B10R0.15 CC(O)CNCCC(C)(C)O 34a_100000210904_100000702414 [0,1,0,0,0,1|1,0,1]=4 4023 B10R0.15 CC(O)COCCC(C)(C)C 7a_100000765024_100011218427 [0,1,0,0,0,1|1,0,1]=4 4024 B10R0.15 CC(O)CSCCC(C)(C)C 62a_100000755188_100011218427 [0,1,0,0,0,1|1,0,1]=4 4025 B10R0.15 CC(O)CSCCC(C)(C)C 62a_100011218427_100000755188 [0,1,0,0,0,1|1,0,1]=4 4026 B10R0.15 CC(O)CSCCC(C)(C)O 62a_100000702414_100011218427 [0,1,0,0,0,1|1,0,1]=4 4027 B10R0.15 CC(O)CSCCC(C)(C)O 62a_100011218427_100000702414 [0,1,0,0,0,1|1,0,1]=4 4028 B10R0.15 CS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000731031 [0,1,0,0,0,1|2,0,0]=4 4029 B10R0.15 C[C@@H](O)CNCCC(C)(C)C 2230a_100000738805_100009817552 [0,1,0,0,0,1|1,0,1]=4 4030 B10R0.15 C[C@@H](O)CNCCC(C)(C)F 2230a_100016253952_100009817552 [0,1,0,0,0,1|1,0,1]=4 4031 B10R0.15 C[C@@H](O)COCCC(C)(C)C 7a_100000765024_100009817552 [0,1,0,0,0,1|1,0,1]=4 4032 B10R0.15 C[C@@H](O)CSCCC(C)(C)C 62a_100000755188_100009817552 [0,1,0,0,0,1|1,0,1]=4 4033 B10R0.15 C[C@@H](O)CSCCC(C)(C)C 62a_100009817552_100000755188 [0,1,0,0,0,1|1,0,1]=4 4034 B10R0.15 C[C@@H](O)CSCCC(C)(C)O 62a_100000702414_100009817552 [0,1,0,0,0,1|1,0,1]=4 4035 B10R0.15 C[C@@H](O)CSCCC(C)(C)O 62a_100009817552_100000702414 [0,1,0,0,0,1|1,0,1]=4 4036 B10R0.15 C[N+](C)(C)CCNCC(=O)O 269956a_100016091260_100000085578 [0,1,0,0,0,1|1,0,0]=3 4037 B10R0.15 C[N+](C)(C)CCOCC(=O)N 7a_200020618287_100000187820 [0,1,0,0,0,1|2,0,0]=4 4038 B10R0.15 C[N+](C)(C)CCSCC(=O)N 62a_100000085578_100000747473 [0,1,0,0,0,1|2,0,0]=4 4039 B10R0.15 C[N+](C)(C)CCSCC(=O)N 62a_100000747473_100000085578 [0,1,0,0,0,1|2,0,0]=4 4040 B10R0.15 C[N+](C)(C)CCSCC(=O)[O-] 62a_100000085578_100020667443 [0,1,0,0,0,1|1,0,1]=4 4041 B10R0.15 C[N+](C)(C)CCSCC(=O)[O-] 62a_100020667443_100000085578 [0,1,0,0,0,1|1,0,1]=4 4042 B10R0.15 C[N+](C)(C)CNOCC(=O)O 269956a_100000106656_200000036245 [0,1,0,0,0,1|2,0,0]=4 4043 B10R0.15 C[N+](C)(C)CSCCC(=O)N 62a_100000744528_200000036245 [0,1,0,0,0,1|2,0,0]=4 4044 B10R0.15 C[N+](C)(C)CSCCC(=O)N 62a_200000036245_100000744528 [0,1,0,0,0,1|2,0,0]=4 4045 B10R0.15 C[Si](C)(C)CCNCC(=O)N 2230a_100000711301_200000733723 [0,1,0,0,0,1|1,1,0]=4 4046 B10R0.15 C[Si](C)(C)CCNCC(=O)O 269956a_100016091260_200000733723 [0,1,0,0,0,1|0,1,0]=3 4047 B10R0.15 C[Si](C)(C)CCOCC(=O)N 7a_100000039746_100000187820 [0,1,0,0,0,1|1,1,0]=4 4048 B10R0.15 C[Si](C)(C)CCSCC(=O)N 62a_100000747473_200000733723 [0,1,0,0,0,1|1,1,0]=4 4049 B10R0.15 C[Si](C)(C)CCSCC(=O)N 62a_200000733723_100000747473 [0,1,0,0,0,1|1,1,0]=4 4050 B10R0.15 C[Si](C)(C)CCSCC(=O)[O-] 62a_100020667443_200000733723 [0,1,0,0,0,1|0,1,1]=4 4051 B10R0.15 C[Si](C)(C)CCSCC(=O)[O-] 62a_200000733723_100020667443 [0,1,0,0,0,1|0,1,1]=4 4052 B10R0.15 C[Si](C)(C)CNOCC(=O)O 269956a_100000106656_100000037933 [0,1,0,0,0,1|1,1,0]=4 4053 B10R0.15 C[Si](C)(C)COCCC(=O)N 7a_100000757172_100000233785 [0,1,0,0,0,1|1,1,0]=4 4054 B10R0.15 C[Si](C)(C)CSCCC(=O)N 62a_100000037933_100000744528 [0,1,0,0,0,1|1,1,0]=4 4055 B10R0.15 C[Si](C)(C)CSCCC(=O)N 62a_100000744528_100000037933 [0,1,0,0,0,1|1,1,0]=4 4056 B10R0.15 O=C(O)CNCCC(F)(F)F 269956a_100016091260_100011219754 [0,1,0,0,0,1|2,0,0]=4 4057 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,1,0,0,0,1|1,0,0]=3 4058 B10R0.55 C#CC(C)NCCCC(=O)C 34a_100000707721_100000685027 [0,1,0,0,0,1|1,0,1]=4 4059 B10R0.55 C#CC(C)NCCCC(=O)N 34a_100000707721_100102525003 [0,1,0,0,0,1|1,0,1]=4 4060 B10R0.55 C#CC(C)NCCCC(=O)N 34a_100000739312_200000035995 [0,1,0,0,0,1|1,0,1]=4 4061 B10R0.55 C#CC(C)OCCCC(=O)C 34a_100000759063_200000035995 [0,1,0,0,0,1|1,0,1]=4 4062 B10R0.55 C#CC(C)SCCCC(=O)C 62a_200000035995_100011215641 [0,1,0,0,0,1|1,0,1]=4 4063 B10R0.55 C#CC(C)SCCCC(=O)N 62a_200000035995_100102525003 [0,1,0,0,0,1|1,0,1]=4 4064 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 34a_100009815206_100000685027 [0,1,0,0,0,1|1,0,1]=4 4065 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 7a_100009815206_100011215641 [0,1,0,0,0,1|1,0,1]=4 4066 B10R0.55 C#C[C@@H](C)OCCCC(=O)N 34a_100009815206_100102525003 [0,1,0,0,0,1|1,0,1]=4 4067 B10R0.55 C#C[C@@H](C)OCCCC(=O)N 7a_100009815206_100102525003 [0,1,0,0,0,1|1,0,1]=4 4068 B10R0.55 C=C(Br)CCOCC(C)CC 34a_100009813270_100000748023 [0,1,0,0,0,1|2,0,0]=4 4069 B10R0.55 C=C(Br)CCOC[C@@H](C)CC 34a_100009813270_100009816398 [0,1,0,0,0,1|2,0,0]=4 4070 B10R0.55 C=C(Br)CCOC[C@@H](C)CO 34a_100009813270_100000059175 [0,1,0,0,0,1|2,0,0]=4 4071 B10R0.55 C=C(C#N)COCCC(C)C 34a_100000210254_100000694840 [0,1,0,0,0,1|2,0,0]=4 4072 B10R0.55 C=C(C#N)CSCCC(C)C 62a_100000210312_100000694840 [0,1,0,0,0,1|2,0,0]=4 4073 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,1,0,0,0,1|2,0,0]=4 4074 B10R0.55 C=C(C)CCNCC(C)CO 34a_100000744482_100000730704 [0,1,0,0,0,1|2,0,0]=4 4075 B10R0.55 C=C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000730704 [0,1,0,0,0,1|2,0,0]=4 4076 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,1,0,0,0,1|0,0,2]=4 4077 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,1,0,0,0,1|2,0,0]=4 4078 B10R0.55 C=C(C)CCOCC(C)CN 34a_100000744482_100000730704 [0,1,0,0,0,1|2,0,0]=4 4079 B10R0.55 C=C(C)CCOCC(C)OC 34a_100000690652_100000730704 [0,1,0,0,0,1|2,0,0]=4 4080 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,1,0,0,0,1|2,0,0]=4 4081 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,1,0,0,0,1|2,0,0]=4 4082 B10R0.55 C=C(C)CCOC[C@@H](C)CO 34a_100000764851_100000059175 [0,1,0,0,0,1|2,0,0]=4 4083 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,1,0,0,0,1|0,0,2]=4 4084 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,1,0,0,0,1|0,0,2]=4 4085 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,1,0,0,0,1|2,0,0]=4 4086 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,1,0,0,0,1|2,0,0]=4 4087 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,1,0,0,0,1|2,0,0]=4 4088 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,1,0,0,0,1|2,0,0]=4 4089 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000059175_100000730704 [0,1,0,0,0,1|2,0,0]=4 4090 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000730704_100000059175 [0,1,0,0,0,1|2,0,0]=4 4091 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,1,0,0,0,1|2,0,0]=4 4092 B10R0.55 C=C(C)CNCCC(C)CO 2230a_106354213184_100000748629 [0,1,0,0,0,1|2,0,0]=4 4093 B10R0.55 C=C(C)CNCCC(C)CO 34a_106354213184_100000748629 [0,1,0,0,0,1|2,0,0]=4 4094 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,1,0,0,0,1|0,0,2]=4 4095 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,1,0,0,0,1|2,0,0]=4 4096 B10R0.55 C=C(C)COCCC(C)OC 7a_100000764861_100000748629 [0,1,0,0,0,1|2,0,0]=4 4097 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,1,0,0,0,1|0,0,2]=4 4098 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,1,0,0,0,1|0,0,2]=4 4099 B10R0.55 C=C(F)CNCCC(C)CC 2230a_100020591266_100009893438 [0,1,0,0,0,1|2,0,0]=4 4100 B10R0.55 C=C(F)CNCCC(C)CO 2230a_106354213184_100009893438 [0,1,0,0,0,1|2,0,0]=4 4101 B10R0.55 C=C(F)CNCCC(C)CO 34a_106354213184_100009893438 [0,1,0,0,0,1|2,0,0]=4 4102 B10R0.55 C=C(F)COCCC(C)CC 7a_100011215188_100000042424 [0,1,0,0,0,1|2,0,0]=4 4103 B10R0.55 C=C(F)COCCC(C)OC 7a_100000764861_100000042424 [0,1,0,0,0,1|2,0,0]=4 4104 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,1,0,0,0,1|1,0,0]=3 4105 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,1,0,0,0,1|1,0,0]=3 4106 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,1,0,0,0,1|1,0,0]=3 4107 B10R0.55 C=CC(=O)NCCCN(C)C 240690a_102531767803_200121576911 [0,1,0,0,0,1|2,0,0]=4 4108 B10R0.55 C=CC(=O)NCCNC(C)C 2230a_114873766552_100000210206 [0,1,0,0,0,1|2,0,0]=4 4109 B10R0.55 C=CC(=O)NCCOC(C)C 1626a_100000701111_100000185746 [0,1,0,0,0,1|2,0,0]=4 4110 B10R0.55 C=CC(=O)NCCOC(C)C 240690a_100000701111_200121576911 [0,1,0,0,0,1|2,0,0]=4 4111 B10R0.55 C=CC(=O)NCCOC(C)C 34a_100011304386_100000210206 [0,1,0,0,0,1|2,0,0]=4 4112 B10R0.55 C=CC(=O)NCCSC(C)C 1626a_100000731138_100000185746 [0,1,0,0,0,1|2,0,0]=4 4113 B10R0.55 C=CC(=O)NCCSC(C)C 240690a_100000731138_200121576911 [0,1,0,0,0,1|2,0,0]=4 4114 B10R0.55 C=CC(=O)OCCNC(C)C 2230a_100138425928_100009813456 [0,1,0,0,0,1|2,0,0]=4 4115 B10R0.55 C=CC(=O)OCCNC(C)C 34a_100138425928_100009813456 [0,1,0,0,0,1|2,0,0]=4 4116 B10R0.55 C=CC(=O)OCCOC(C)C 34a_100000212225_100009813456 [0,1,0,0,0,1|2,0,0]=4 4117 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100000210206_100009813456 [0,1,0,0,0,1|2,0,0]=4 4118 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100009813456_100000210206 [0,1,0,0,0,1|2,0,0]=4 4119 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,1,0,0,0,1|1,0,1]=4 4120 B10R0.55 C=CC(C)COCCC(=O)N 34a_100011215527_100000731001 [0,1,0,0,0,1|1,0,1]=4 4121 B10R0.55 C=CC(C)COCCC(=O)N 7a_100011215527_100000744528 [0,1,0,0,0,1|1,0,1]=4 4122 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,1,0,0,0,1|1,0,1]=4 4123 B10R0.55 C=CC(C)OCCCC(=O)N 34a_100000695699_100102525003 [0,1,0,0,0,1|1,0,1]=4 4124 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,1,0,0,0,1|1,0,1]=4 4125 B10R0.55 C=CC(C)SCCCC(=O)N 62a_100011215867_100102525003 [0,1,0,0,0,1|1,0,1]=4 4126 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [0,1,0,0,0,1|1,0,1]=4 4127 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [0,1,0,0,0,1|1,0,1]=4 4128 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [0,1,0,0,0,1|1,0,1]=4 4129 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [0,1,0,0,0,1|1,0,1]=4 4130 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,1|1,0,1]=4 4131 B10R0.55 CC(=O)CCCOC(C)C#N 34a_100011218135_100000685027 [0,1,0,0,0,1|1,0,1]=4 4132 B10R0.55 CC(=O)CCCOC(C)C#N 7a_100000759063_100000703298 [0,1,0,0,0,1|1,0,1]=4 4133 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,1,0,0,0,1|1,0,0]=3 4134 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,1,0,0,0,1|1,0,0]=3 4135 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,1,0,0,0,1|1,0,0]=3 4136 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,1,0,0,0,1|1,0,0]=3 4137 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,1,0,0,0,1|1,0,0]=3 4138 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100000703298_100011215641 [0,1,0,0,0,1|1,0,1]=4 4139 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100011215641_100000703298 [0,1,0,0,0,1|1,0,1]=4 4140 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,1,0,0,0,1|1,0,0]=3 4141 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,1,0,0,0,1|1,0,0]=3 4142 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,1,0,0,0,1|1,0,0]=3 4143 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,1,0,0,0,1|2,0,0]=4 4144 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,1,0,0,0,1|2,0,0]=4 4145 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,1,0,0,0,1|1,0,0]=3 4146 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,1,0,0,0,1|1,0,0]=3 4147 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,1,0,0,0,1|2,0,0]=4 4148 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,1,0,0,0,1|2,0,0]=4 4149 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,1,0,0,0,1|2,0,0]=4 4150 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,1,0,0,0,1|2,0,0]=4 4151 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,1,0,0,0,1|2,0,0]=4 4152 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,1,0,0,0,1|2,0,0]=4 4153 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,1,0,0,0,1|1,0,0]=3 4154 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,1,0,0,0,1|1,0,0]=3 4155 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,1,0,0,0,1|2,0,0]=4 4156 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,1,0,0,0,1|2,0,0]=4 4157 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,1,0,0,0,1|2,0,0]=4 4158 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,1,0,0,0,1|2,0,0]=4 4159 B10R0.55 CC(=O)NCCNC(C)CO 2230a_100000209853_100012180447 [0,1,0,0,0,1|2,0,0]=4 4160 B10R0.55 CC(=O)NCCN[C@H](C)CO 2230a_100000737577_100000189650 [0,1,0,0,0,1|2,0,0]=4 4161 B10R0.55 CC(=O)NCCOC(C)CF 7a_100016041109_100000189650 [0,1,0,0,0,1|2,0,0]=4 4162 B10R0.55 CC(=O)NCCOC(C)CO 34a_100000158858_100012180447 [0,1,0,0,0,1|2,0,0]=4 4163 B10R0.55 CC(=O)NCCSC(C)CO 62a_100012180447_100000189650 [0,1,0,0,0,1|2,0,0]=4 4164 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100000189650_100016084084 [0,1,0,0,0,1|2,0,0]=4 4165 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100016084084_100000189650 [0,1,0,0,0,1|2,0,0]=4 4166 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,1,0,0,0,1|1,0,1]=4 4167 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,1,0,0,0,1|2,0,0]=4 4168 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,1,0,0,0,1|2,0,0]=4 4169 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,1,0,0,0,1|2,0,0]=4 4170 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,1,0,0,0,1|2,0,0]=4 4171 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,1,0,0,0,1|2,0,0]=4 4172 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,1,0,0,0,1|2,0,0]=4 4173 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,1,0,0,0,1|2,0,0]=4 4174 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,1,0,0,0,1|2,0,0]=4 4175 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,1,0,0,0,1|2,0,0]=4 4176 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,1,0,0,0,1|2,0,0]=4 4177 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,1,0,0,0,1|1,0,1]=4 4178 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,1,0,0,0,1|1,0,1]=4 4179 B10R0.55 CC(C#N)OCCCC(=O)N 34a_100011218135_100102525003 [0,1,0,0,0,1|1,0,1]=4 4180 B10R0.55 CC(C#N)SCCCC(=O)N 62a_100000703298_100102525003 [0,1,0,0,0,1|1,0,1]=4 4181 B10R0.55 CC(C#N)SCCCC(=O)N 62a_100102525003_100000703298 [0,1,0,0,0,1|1,0,1]=4 4182 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,1,0,0,0,1|1,0,0]=3 4183 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,1,0,0,0,1|0,0,0]=2 4184 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,1,0,0,0,1|0,0,0]=2 4185 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,1,0,0,0,1|0,0,0]=2 4186 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [0,1,0,0,0,1|1,0,1]=4 4187 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [0,1,0,0,0,1|1,0,1]=4 4188 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [0,1,0,0,0,1|1,0,1]=4 4189 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,1,0,0,0,1|1,0,1]=4 4190 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,1,0,0,0,1|1,0,1]=4 4191 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [0,1,0,0,0,1|1,0,1]=4 4192 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [0,1,0,0,0,1|1,0,1]=4 4193 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [0,1,0,0,0,1|1,0,1]=4 4194 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [0,1,0,0,0,1|1,0,1]=4 4195 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [0,1,0,0,0,1|1,0,1]=4 4196 B10R0.55 CC(C)CCNC[C@@H](F)CO 269862a_100015665980_100000185833 [0,1,0,0,0,1|1,0,1]=4 4197 B10R0.55 CC(C)CCNC[C@@H](F)CO 34a_100015665980_100000210312 [0,1,0,0,0,1|1,0,1]=4 4198 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,1,0,0,0,1|0,0,2]=4 4199 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,1,0,0,0,1|0,0,2]=4 4200 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,1,0,0,0,1|0,0,2]=4 4201 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,1,0,0,0,1|0,0,2]=4 4202 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,1,0,0,0,1|1,0,1]=4 4203 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,1,0,0,0,1|1,0,1]=4 4204 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,1,0,0,0,1|1,0,1]=4 4205 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,1,0,0,0,1|1,0,1]=4 4206 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,1,0,0,0,1|0,0,2]=4 4207 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,1,0,0,0,1|0,0,2]=4 4208 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,1,0,0,0,1|0,0,2]=4 4209 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,1,0,0,0,1|0,0,2]=4 4210 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [0,1,0,0,0,1|1,0,1]=4 4211 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [0,1,0,0,0,1|1,0,1]=4 4212 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [0,1,0,0,0,1|1,0,1]=4 4213 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [0,1,0,0,0,1|1,0,1]=4 4214 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,1,0,0,0,1|0,0,2]=4 4215 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,1,0,0,0,1|0,0,2]=4 4216 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [0,1,0,0,0,1|1,0,1]=4 4217 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [0,1,0,0,0,1|1,0,1]=4 4218 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [0,1,0,0,0,1|1,0,1]=4 4219 B10R0.55 CC(C)COCCC(=NO)N 34a_100000749954_100000210624 [0,1,0,0,0,1|1,0,0]=3 4220 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,1,0,0,0,1|1,0,0]=3 4221 B10R0.55 CC(C)OCCNC(=O)CO 240690a_100000701111_100000210174 [0,1,0,0,0,1|1,0,0]=3 4222 B10R0.55 CC(C)OCCNC(=O)CO 527a_100000701111_100000210174 [0,1,0,0,0,1|1,0,0]=3 4223 B10R0.55 CC(C)SCCNC(=O)CO 240690a_100000731138_100000210174 [0,1,0,0,0,1|1,0,0]=3 4224 B10R0.55 CC(C)SCCNC(=O)CO 527a_100000731138_100000210174 [0,1,0,0,0,1|1,0,0]=3 4225 B10R0.55 CC(CF)OCCCC(=O)N 34a_100016041109_100102525003 [0,1,0,0,0,1|1,0,0]=3 4226 B10R0.55 CC(CF)OCCCC(=O)N 7a_100016041109_100102525003 [0,1,0,0,0,1|1,0,0]=3 4227 B10R0.55 CC(CF)OCCNC(=O)N 7a_100016041109_200000034859 [0,1,0,0,0,1|2,0,0]=4 4228 B10R0.55 CC(CF)OCCOC(=O)N 34a_100016041109_200011214921 [0,1,0,0,0,1|2,0,0]=4 4229 B10R0.55 CC(CF)OCCOC(=O)N 7a_100016041109_200011214921 [0,1,0,0,0,1|2,0,0]=4 4230 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [0,1,0,0,0,1|1,0,0]=3 4231 B10R0.55 CC(CN)OCCCC(=O)N 34a_100000210904_100102525003 [0,1,0,0,0,1|1,0,0]=3 4232 B10R0.55 CC(CN)OCCOC(=O)N 34a_100000210904_200011214921 [0,1,0,0,0,1|2,0,0]=4 4233 B10R0.55 CC(CO)CCNCC(=O)N 2230a_106354213184_100000747473 [0,1,0,0,0,1|1,0,0]=3 4234 B10R0.55 CC(CO)CCNCC(=O)N 34a_106354213184_100000187820 [0,1,0,0,0,1|1,0,0]=3 4235 B10R0.55 CC(CO)CCNCC(=O)[O-] 34a_106354213184_100020667443 [0,1,0,0,0,1|0,0,1]=3 4236 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [0,1,0,0,0,1|1,0,1]=4 4237 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [0,1,0,0,0,1|1,0,1]=4 4238 B10R0.55 CC(CO)CCNC[N+](=O)[O-] 34a_106354213184_100000761209 [0,1,0,0,0,1|1,0,1]=4 4239 B10R0.55 CC(CO)CNCCC(=O)N 34a_100000744482_100000731001 [0,1,0,0,0,1|1,0,0]=3 4240 B10R0.55 CC(CO)NCCCC(=O)N 34a_100000739312_100012180447 [0,1,0,0,0,1|1,0,0]=3 4241 B10R0.55 CC(CO)NCCCS(=O)C 2230a_200000753449_100012180447 [0,1,0,0,0,1|2,0,0]=4 4242 B10R0.55 CC(CO)NCCNC(=O)N 34a_100020590234_100012180447 [0,1,0,0,0,1|2,0,0]=4 4243 B10R0.55 CC(CO)OCCC[N+](=O)[O-] 34a_200000037920_100012180447 [0,1,0,0,0,1|1,0,1]=4 4244 B10R0.55 CC(CO)OCCNC(=O)N 34a_100000181757_100012180447 [0,1,0,0,0,1|2,0,0]=4 4245 B10R0.55 CC(CO)OCCOC(=O)N 7a_100000766696_100012180447 [0,1,0,0,0,1|2,0,0]=4 4246 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [0,1,0,0,0,1|1,0,0]=3 4247 B10R0.55 CC(CO)SCCNC(=O)N 62a_100012180447_200000034859 [0,1,0,0,0,1|2,0,0]=4 4248 B10R0.55 CC(CO)SCCOC(=O)N 62a_100012180447_200011214921 [0,1,0,0,0,1|2,0,0]=4 4249 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [0,1,0,0,0,1|1,0,1]=4 4250 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [0,1,0,0,0,1|1,0,1]=4 4251 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [0,1,0,0,0,1|1,0,1]=4 4252 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [0,1,0,0,0,1|1,0,1]=4 4253 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [0,1,0,0,0,1|1,0,1]=4 4254 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [0,1,0,0,0,1|1,0,1]=4 4255 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [0,1,0,0,0,1|1,0,1]=4 4256 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [0,1,0,0,0,1|1,0,1]=4 4257 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [0,1,0,0,0,1|1,0,1]=4 4258 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [0,1,0,0,0,1|1,0,1]=4 4259 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [0,1,0,0,0,1|1,0,1]=4 4260 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [0,1,0,0,0,1|1,0,1]=4 4261 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [0,1,0,0,0,1|1,0,1]=4 4262 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [0,1,0,0,0,1|1,0,1]=4 4263 B10R0.55 CC(O)COCCC(=NO)N 34a_100000749954_100011218427 [0,1,0,0,0,1|2,0,0]=4 4264 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,1,0,0,0,1|1,0,0]=3 4265 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,1,0,0,0,1|1,0,0]=3 4266 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,1,0,0,0,1|1,0,0]=3 4267 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,1,0,0,0,1|1,0,0]=3 4268 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,1,0,0,0,1|2,0,0]=4 4269 B10R0.55 CCC(=O)COCOC(C)C 34a_100000725409_100000709892 [0,1,0,0,0,1|2,0,0]=4 4270 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,1,0,0,0,1|1,0,0]=3 4271 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,1,0,0,0,1|1,0,0]=3 4272 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,1,0,0,0,1|2,0,0]=4 4273 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,1,0,0,0,1|2,0,0]=4 4274 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,1,0,0,0,1|2,0,0]=4 4275 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [0,1,0,0,0,1|2,0,0]=4 4276 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [0,1,0,0,0,1|2,0,0]=4 4277 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,1,0,0,0,1|1,0,0]=3 4278 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,1,0,0,0,1|1,0,0]=3 4279 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,1,0,0,0,1|1,0,0]=3 4280 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,1,0,0,0,1|1,0,0]=3 4281 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,1,0,0,0,1|2,0,0]=4 4282 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,1,0,0,0,1|2,0,0]=4 4283 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [0,1,0,0,0,1|2,0,0]=4 4284 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [0,1,0,0,0,1|2,0,0]=4 4285 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [0,1,0,0,0,1|2,0,0]=4 4286 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [0,1,0,0,0,1|2,0,0]=4 4287 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [0,1,0,0,0,1|2,0,0]=4 4288 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [0,1,0,0,0,1|2,0,0]=4 4289 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [0,1,0,0,0,1|2,0,0]=4 4290 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [0,1,0,0,0,1|2,0,0]=4 4291 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [0,1,0,0,0,1|2,0,0]=4 4292 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [0,1,0,0,0,1|2,0,0]=4 4293 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [0,1,0,0,0,1|2,0,0]=4 4294 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,1,0,0,0,1|2,0,0]=4 4295 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,1,0,0,0,1|1,0,0]=3 4296 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,1,0,0,0,1|1,0,1]=4 4297 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,1,0,0,0,1|1,0,1]=4 4298 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,1,0,0,0,1|1,0,0]=3 4299 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,1,0,0,0,1|1,0,1]=4 4300 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,1,0,0,0,1|1,0,1]=4 4301 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,1,0,0,0,1|1,0,0]=3 4302 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,1,0,0,0,1|1,0,1]=4 4303 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,1,0,0,0,1|1,0,1]=4 4304 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,1,0,0,0,1|1,0,1]=4 4305 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,1,0,0,0,1|1,0,0]=3 4306 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,1,0,0,0,1|1,0,0]=3 4307 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,1,0,0,0,1|1,0,0]=3 4308 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,1,0,0,0,1|1,0,0]=3 4309 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,1,0,0,0,1|1,0,0]=3 4310 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,1,0,0,0,1|1,0,0]=3 4311 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,1,0,0,0,1|1,0,0]=3 4312 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,1,0,0,0,1|1,0,0]=3 4313 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,1,0,0,0,1|1,0,0]=3 4314 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,1,0,0,0,1|1,0,1]=4 4315 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,1,0,0,0,1|1,0,1]=4 4316 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,1,0,0,0,1|2,0,0]=4 4317 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,1,0,0,0,1|2,0,0]=4 4318 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,1,0,0,0,1|1,0,0]=3 4319 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,1,0,0,0,1|1,0,1]=4 4320 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,1,0,0,0,1|2,0,0]=4 4321 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,1,0,0,0,1|2,0,0]=4 4322 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,1,0,0,0,1|2,0,0]=4 4323 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [0,1,0,0,0,1|2,0,0]=4 4324 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [0,1,0,0,0,1|2,0,0]=4 4325 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,0,0,0,1|1,0,0]=3 4326 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,0,0,0,1|1,0,0]=3 4327 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,0,0,0,1|1,0,0]=3 4328 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,1,0,0,0,1|1,0,0]=3 4329 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,1,0,0,0,1|1,0,1]=4 4330 B10R0.55 CCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215416 [0,1,0,0,0,1|1,0,1]=4 4331 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,1,0,0,0,1|2,0,0]=4 4332 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,1,0,0,0,1|2,0,0]=4 4333 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,1,0,0,0,1|2,0,0]=4 4334 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,1,0,0,0,1|2,0,0]=4 4335 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,1,0,0,0,1|2,0,0]=4 4336 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,1,0,0,0,1|2,0,0]=4 4337 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,1,0,0,0,1|2,0,0]=4 4338 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,0,0,0,1|1,0,0]=3 4339 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,0,0,0,1|1,0,0]=3 4340 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,1,0,0,0,1|1,0,0]=3 4341 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,1,0,0,0,1|1,0,0]=3 4342 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,1,0,0,0,1|1,0,1]=4 4343 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,1,0,0,0,1|1,0,1]=4 4344 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,1,0,0,0,1|2,0,0]=4 4345 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,1,0,0,0,1|2,0,0]=4 4346 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [0,1,0,0,0,1|2,0,0]=4 4347 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [0,1,0,0,0,1|2,0,0]=4 4348 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,1,0,0,0,1|2,0,0]=4 4349 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,1,0,0,0,1|2,0,0]=4 4350 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,1,0,0,0,1|2,0,0]=4 4351 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,1,0,0,0,1|2,0,0]=4 4352 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,1,0,0,0,1|2,0,0]=4 4353 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,1,0,0,0,1|1,0,1]=4 4354 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,1,0,0,0,1|1,0,1]=4 4355 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,1,0,0,0,1|2,0,0]=4 4356 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,0,0,0,1|2,0,0]=4 4357 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,0,0,0,1|2,0,0]=4 4358 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,1,0,0,0,1|2,0,0]=4 4359 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,1,0,0,0,1|2,0,0]=4 4360 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,1,0,0,0,1|1,0,1]=4 4361 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,1,0,0,0,1|1,0,1]=4 4362 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,0,0,0,1|2,0,0]=4 4363 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,0,0,0,1|2,0,0]=4 4364 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,1,0,0,0,1|2,0,0]=4 4365 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,1,0,0,0,1|2,0,0]=4 4366 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,1,0,0,0,1|1,0,1]=4 4367 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,1,0,0,0,1|1,0,1]=4 4368 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,0,0,0,1|2,0,0]=4 4369 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,1,0,0,0,1|2,0,0]=4 4370 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,1,0,0,0,1|2,0,0]=4 4371 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,1,0,0,0,1|2,0,0]=4 4372 B10R0.55 CCN(C)CCOCC(=O)N 2230a_100000225621_100000076697 [0,1,0,0,0,1|2,0,0]=4 4373 B10R0.55 CCN(C)CCOCC(=O)N 269982a_100000225621_100000076697 [0,1,0,0,0,1|2,0,0]=4 4374 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,1,0,0,0,1|1,0,1]=4 4375 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,1,0,0,0,1|1,0,0]=3 4376 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,1,0,0,0,1|1,0,0]=3 4377 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,1,0,0,0,1|1,0,0]=3 4378 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,1,0,0,0,1|1,0,0]=3 4379 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,1,0,0,0,1|1,0,0]=3 4380 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,1,0,0,0,1|1,0,0]=3 4381 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,1,0,0,0,1|1,0,0]=3 4382 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,1,0,0,0,1|1,0,1]=4 4383 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,1,0,0,0,1|1,0,0]=3 4384 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,1,0,0,0,1|1,0,0]=3 4385 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,1,0,0,0,1|1,0,0]=3 4386 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,1,0,0,0,1|1,0,0]=3 4387 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,1,0,0,0,1|1,0,1]=4 4388 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,1,0,0,0,1|1,0,1]=4 4389 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,1,0,0,0,1|2,0,0]=4 4390 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,1,0,0,0,1|2,0,0]=4 4391 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,1,0,0,0,1|1,0,0]=3 4392 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,1,0,0,0,1|1,0,0]=3 4393 B10R0.55 CN(C)CCNNC(=O)CO 22a_100000738145_100000210174 [0,1,0,0,0,1|2,0,0]=4 4394 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,1,0,0,0,1|1,0,0]=3 4395 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,1,0,0,0,1|1,0,0]=3 4396 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,1,0,0,0,1|1,0,0]=3 4397 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,1,0,0,0,1|1,0,0]=3 4398 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,1,0,0,0,1|2,0,0]=4 4399 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,1,0,0,0,1|2,0,0]=4 4400 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,1,0,0,0,1|2,0,0]=4 4401 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,1,0,0,0,1|1,0,0]=3 4402 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,1,0,0,0,1|1,0,0]=3 4403 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,1,0,0,0,1|1,0,0]=3 4404 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,1,0,0,0,1|1,0,0]=3 4405 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,1,0,0,0,1|1,0,0]=3 4406 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,1,0,0,0,1|1,0,0]=3 4407 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,1,0,0,0,1|1,0,0]=3 4408 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,1,0,0,0,1|1,0,1]=4 4409 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,1,0,0,0,1|1,0,0]=3 4410 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,1,0,0,0,1|1,0,0]=3 4411 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,1,0,0,0,1|1,0,0]=3 4412 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,1,0,0,0,1|1,0,0]=3 4413 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,1,0,0,0,1|1,0,0]=3 4414 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,1,0,0,0,1|2,0,0]=4 4415 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,1,0,0,0,1|2,0,0]=4 4416 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,1,0,0,0,1|2,0,0]=4 4417 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,1,0,0,0,1|2,0,0]=4 4418 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,1,0,0,0,1|2,0,0]=4 4419 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,1,0,0,0,1|2,0,0]=4 4420 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,1,0,0,0,1|2,0,0]=4 4421 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,1,0,0,0,1|1,0,0]=3 4422 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,1,0,0,0,1|1,0,0]=3 4423 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,1,0,0,0,1|2,0,0]=4 4424 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,1,0,0,0,1|2,0,0]=4 4425 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,1,0,0,0,1|2,0,0]=4 4426 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,1,0,0,0,1|2,0,0]=4 4427 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,1,0,0,0,1|2,0,0]=4 4428 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,1,0,0,0,1|1,0,0]=3 4429 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,1,0,0,0,1|1,0,0]=3 4430 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,1,0,0,0,1|2,0,0]=4 4431 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,1,0,0,0,1|2,0,0]=4 4432 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,1,0,0,0,1|2,0,0]=4 4433 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,1,0,0,0,1|2,0,0]=4 4434 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,1,0,0,0,1|1,0,0]=3 4435 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,1,0,0,0,1|1,0,0]=3 4436 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,1,0,0,0,1|2,0,0]=4 4437 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,1,0,0,0,1|2,0,0]=4 4438 B10R0.55 CNC(=O)CNCOC(C)C 2230a_100000693194_100000709892 [0,1,0,0,0,1|2,0,0]=4 4439 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,1,0,0,0,1|2,0,0]=4 4440 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,1,0,0,0,1|1,0,0]=3 4441 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,1,0,0,0,1|1,0,0]=3 4442 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,1,0,0,0,1|1,0,0]=3 4443 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,1,0,0,0,1|2,0,0]=4 4444 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,1,0,0,0,1|2,0,0]=4 4445 B10R0.55 CNC(=O)COCOC(C)C 34a_100000750040_100000709892 [0,1,0,0,0,1|2,0,0]=4 4446 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,1,0,0,0,1|1,0,0]=3 4447 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,1,0,0,0,1|1,0,0]=3 4448 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,1,0,0,0,1|2,0,0]=4 4449 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,1,0,0,0,1|2,0,0]=4 4450 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,1,0,0,0,1|2,0,0]=4 4451 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000183359_100000709892 [0,1,0,0,0,1|2,0,0]=4 4452 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000709892_100000183359 [0,1,0,0,0,1|2,0,0]=4 4453 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,1,0,0,0,1|1,0,0]=3 4454 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,1,0,0,0,1|1,0,0]=3 4455 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,1,0,0,0,1|1,0,0]=3 4456 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,1,0,0,0,1|1,0,0]=3 4457 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,1,0,0,0,1|1,0,0]=3 4458 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,1,0,0,0,1|1,0,0]=3 4459 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,1,0,0,0,1|2,0,0]=4 4460 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,1,0,0,0,1|2,0,0]=4 4461 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,1,0,0,0,1|2,0,0]=4 4462 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,1,0,0,0,1|2,0,0]=4 4463 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,1,0,0,0,1|2,0,0]=4 4464 B10R0.55 CNC(=O)NCCNC(C)C 34a_100015205895_100000210206 [0,1,0,0,0,1|2,0,0]=4 4465 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100000701111_106832991635 [0,1,0,0,0,1|2,0,0]=4 4466 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100102657272_100000701111 [0,1,0,0,0,1|2,0,0]=4 4467 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100000701111_100102657272 [0,1,0,0,0,1|2,0,0]=4 4468 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100102657272_100000701111 [0,1,0,0,0,1|2,0,0]=4 4469 B10R0.55 CNC(=O)NCCOC(C)C 512a_100000701111_100102657272 [0,1,0,0,0,1|2,0,0]=4 4470 B10R0.55 CNC(=O)NCCOC(C)C 512a_106832991638_100000701111 [0,1,0,0,0,1|2,0,0]=4 4471 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100000731138_106832991635 [0,1,0,0,0,1|2,0,0]=4 4472 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100102657272_100000731138 [0,1,0,0,0,1|2,0,0]=4 4473 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100000731138_100102657272 [0,1,0,0,0,1|2,0,0]=4 4474 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100102657272_100000731138 [0,1,0,0,0,1|2,0,0]=4 4475 B10R0.55 CNC(=O)NCCSC(C)C 512a_100000731138_100102657272 [0,1,0,0,0,1|2,0,0]=4 4476 B10R0.55 CNC(=O)NCCSC(C)C 512a_106832991638_100000731138 [0,1,0,0,0,1|2,0,0]=4 4477 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [0,1,0,0,0,1|2,0,0]=4 4478 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [0,1,0,0,0,1|2,0,0]=4 4479 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,1,0,0,0,1|2,0,0]=4 4480 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,1,0,0,0,1|2,0,0]=4 4481 B10R0.55 COC(=O)/C=C/CNC(C)C 2230a_100138425928_100000742655 [0,1,0,0,0,1|0,0,2]=4 4482 B10R0.55 COC(=O)/C=C/CNC(C)C 34a_100138425928_100000742655 [0,1,0,0,0,1|0,0,2]=4 4483 B10R0.55 COC(=O)/C=C/COC(C)C 34a_100000212225_100000742655 [0,1,0,0,0,1|0,0,2]=4 4484 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,1,0,0,0,1|0,0,2]=4 4485 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,1,0,0,0,1|0,0,2]=4 4486 B10R0.55 COC(=O)CC=NNC(C)C 4a_100000741168_200011552997 [0,1,0,0,0,1|1,0,1]=4 4487 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,1,0,0,0,1|1,0,1]=4 4488 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,1,0,0,0,1|1,0,1]=4 4489 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,1,0,0,0,1|1,0,1]=4 4490 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,1,0,0,0,1|1,0,0]=3 4491 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,1,0,0,0,1|1,0,0]=3 4492 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,1,0,0,0,1|1,0,1]=4 4493 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,1,0,0,0,1|0,0,0]=2 4494 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,1,0,0,0,1|0,0,0]=2 4495 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,1,0,0,0,1|0,0,0]=2 4496 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,1,0,0,0,1|0,0,0]=2 4497 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,1,0,0,0,1|0,0,0]=2 4498 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,1,0,0,0,1|1,0,1]=4 4499 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,1,0,0,0,1|0,0,0]=2 4500 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,1,0,0,0,1|0,0,0]=2 4501 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,1,0,0,0,1|1,0,0]=3 4502 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,1,0,0,0,1|1,0,0]=3 4503 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,1,0,0,0,1|2,0,0]=4 4504 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,1,0,0,0,1|1,0,1]=4 4505 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,1,0,0,0,1|1,0,0]=3 4506 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,1,0,0,0,1|0,0,0]=2 4507 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,1,0,0,0,1|1,0,0]=3 4508 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,1,0,0,0,1|2,0,0]=4 4509 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,1,0,0,0,1|1,0,0]=3 4510 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,1,0,0,0,1|1,0,0]=3 4511 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,1,0,0,0,1|0,0,0]=2 4512 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,1,0,0,0,1|0,0,0]=2 4513 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,1,0,0,0,1|1,0,0]=3 4514 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,1,0,0,0,1|1,0,0]=3 4515 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,1,0,0,0,1|2,0,0]=4 4516 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,1,0,0,0,1|2,0,0]=4 4517 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,1,0,0,0,1|1,0,0]=3 4518 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,1,0,0,0,1|1,0,0]=3 4519 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,1,0,0,0,1|0,0,2]=4 4520 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,1,0,0,0,1|1,0,0]=3 4521 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,1,0,0,0,1|0,0,2]=4 4522 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,1,0,0,0,1|1,0,1]=4 4523 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,1,0,0,0,1|1,0,1]=4 4524 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,1,0,0,0,1|1,0,1]=4 4525 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,1,0,0,0,1|1,0,0]=3 4526 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,1,0,0,0,1|0,0,0]=2 4527 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,1,0,0,0,1|0,0,0]=2 4528 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,1,0,0,0,1|2,0,0]=4 4529 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,1,0,0,0,1|1,0,0]=3 4530 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,1,0,0,0,1|1,0,0]=3 4531 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,1,0,0,0,1|0,0,2]=4 4532 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,1,0,0,0,1|0,0,2]=4 4533 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,1,0,0,0,1|1,0,1]=4 4534 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,1,0,0,0,1|1,0,1]=4 4535 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,1,0,0,0,1|0,0,0]=2 4536 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,1,0,0,0,1|0,0,0]=2 4537 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,1,0,0,0,1|1,0,0]=3 4538 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,1,0,0,0,1|1,0,0]=3 4539 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,1,0,0,0,1|1,0,0]=3 4540 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,1,0,0,0,1|1,0,0]=3 4541 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,1,0,0,0,1|1,0,0]=3 4542 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,1,0,0,0,1|1,0,1]=4 4543 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,1,0,0,0,1|1,0,1]=4 4544 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,1,0,0,0,1|1,0,0]=3 4545 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,1,0,0,0,1|1,0,0]=3 4546 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,1,0,0,0,1|1,0,0]=3 4547 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,1,0,0,0,1|2,0,0]=4 4548 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,1,0,0,0,1|2,0,0]=4 4549 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [0,1,0,0,0,1|1,0,0]=3 4550 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [0,1,0,0,0,1|1,0,1]=4 4551 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [0,1,0,0,0,1|1,0,1]=4 4552 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [0,1,0,0,0,1|1,0,1]=4 4553 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [0,1,0,0,0,1|1,0,0]=3 4554 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,1,0,0,0,1|1,0,1]=4 4555 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [0,1,0,0,0,1|1,0,1]=4 4556 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,1,0,0,0,1|2,0,0]=4 4557 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,1,0,0,0,1|1,0,0]=3 4558 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,1,0,0,0,1|1,0,0]=3 4559 B10R0.55 COC(C)SCCCC(=O)N 62a_100009879195_100102525003 [0,1,0,0,0,1|1,0,0]=3 4560 B10R0.55 COC(C)SCCCC(=O)N 62a_100102525003_100009879195 [0,1,0,0,0,1|1,0,0]=3 4561 B10R0.55 COC(C)SCCCC(C)C 62a_100009879195_100011214892 [0,1,0,0,0,1|1,0,1]=4 4562 B10R0.55 COC(C)SCCCC(C)C 62a_100011214892_100009879195 [0,1,0,0,0,1|1,0,1]=4 4563 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [0,1,0,0,0,1|1,0,1]=4 4564 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [0,1,0,0,0,1|1,0,1]=4 4565 B10R0.55 COC(C)SCCNC(=O)C 62a_100000189650_100009879195 [0,1,0,0,0,1|2,0,0]=4 4566 B10R0.55 COC(C)SCCNC(=O)C 62a_100009879195_100000189650 [0,1,0,0,0,1|2,0,0]=4 4567 B10R0.55 COC(C)SCCNC(=O)N 62a_100009879195_200000034859 [0,1,0,0,0,1|2,0,0]=4 4568 B10R0.55 COC(C)SCCNC(=O)N 62a_200000034859_100009879195 [0,1,0,0,0,1|2,0,0]=4 4569 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,1,0,0,0,1|2,0,0]=4 4570 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,1,0,0,0,1|2,0,0]=4 4571 B10R0.55 COC(C)SCCOC(=O)N 62a_100009879195_200011214921 [0,1,0,0,0,1|2,0,0]=4 4572 B10R0.55 COC(C)SCCOC(=O)N 62a_200011214921_100009879195 [0,1,0,0,0,1|2,0,0]=4 4573 B10R0.55 CO[C@H](C)CNCCC(=O)N 2230a_100020591295_100000744528 [0,1,0,0,0,1|1,0,0]=3 4574 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [0,1,0,0,0,1|1,0,1]=4 4575 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [0,1,0,0,0,1|1,0,1]=4 4576 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [0,1,0,0,0,1|1,0,1]=4 4577 B10R0.55 CS(=O)CCCNC(=O)CO 240690a_200000753449_100000210174 [0,1,0,0,0,1|2,0,0]=4 4578 B10R0.55 CS(=O)CCCNC(=O)CO 527a_200000753449_100000210174 [0,1,0,0,0,1|2,0,0]=4 4579 B10R0.55 C[C@@H](CO)CNOCC(=O)O 269956a_100000106656_100000059175 [0,1,0,0,0,1|1,0,0]=3 4580 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [0,1,0,0,0,1|1,0,0]=3 4581 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [0,1,0,0,0,1|1,0,0]=3 4582 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [0,1,0,0,0,1|1,0,0]=3 4583 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [0,1,0,0,0,1|1,0,0]=3 4584 B10R0.55 C[C@@H](O)COCCC(=NO)N 34a_100000749954_100009817552 [0,1,0,0,0,1|2,0,0]=4 4585 B10R0.55 C[C@H](CO)NCCNC(=O)N 2230a_100000737577_200000034859 [0,1,0,0,0,1|2,0,0]=4 4586 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [0,1,0,0,0,1|1,0,0]=3 4587 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [0,1,0,0,0,1|1,0,0]=3 4588 B10R0.55 C[C@H](CO)SCCNC(=O)N 62a_100016084084_200000034859 [0,1,0,0,0,1|2,0,0]=4 4589 B10R0.55 C[C@H](CO)SCCNC(=O)N 62a_200000034859_100016084084 [0,1,0,0,0,1|2,0,0]=4 4590 B10R0.55 C[C@H](CO)SCCOC(=O)N 62a_100016084084_200011214921 [0,1,0,0,0,1|2,0,0]=4 4591 B10R0.55 C[C@H](CO)SCCOC(=O)N 62a_200011214921_100016084084 [0,1,0,0,0,1|2,0,0]=4 4592 B10R0.55 NC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000731001 [0,1,0,0,0,1|2,0,0]=4 4593 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [0,1,0,0,0,1|2,0,0]=4 4594 B10R0.55 NC(=O)CCOCC(Cl)CCl 34a_100000033668_100000731001 [0,1,0,0,0,1|2,0,0]=4 4595 B10R0.55 NC(=O)CCOCC(O)CO 34a_100000757172_100011219619 [0,1,0,0,0,1|2,0,0]=4 4596 B10R0.55 NC(=O)CCOCC(O)CO 7a_100000757172_100011219619 [0,1,0,0,0,1|2,0,0]=4 4597 B10R0.55 NC(=O)CCOC[C@@H](O)CF 34a_100000757172_100015614560 [0,1,0,0,0,1|2,0,0]=4 4598 B10R0.55 NC(=O)CCOC[C@@H](O)CF 7a_100000757172_100015614560 [0,1,0,0,0,1|2,0,0]=4 4599 B10R0.55 NC(=O)CCOC[C@@H](O)CO 34a_100000757172_100009815848 [0,1,0,0,0,1|2,0,0]=4 4600 B10R0.55 NC(=O)CCOC[C@@H](O)CO 7a_100000757172_100009815848 [0,1,0,0,0,1|2,0,0]=4 4601 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [0,1,0,0,0,1|2,0,0]=4 4602 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [0,1,0,0,0,1|2,0,0]=4 4603 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100000744528_100015614560 [0,1,0,0,0,1|2,0,0]=4 4604 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000744528 [0,1,0,0,0,1|2,0,0]=4 4605 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [0,1,0,0,0,1|2,0,0]=4 4606 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [0,1,0,0,0,1|2,0,0]=4 4607 B10R0.55 NC[C@@H](F)COCCC(=O)N 34a_100015665980_100000731001 [0,1,0,0,0,1|2,0,0]=4 4608 B10R0.55 O=C(CO)CCOCC(F)F 1458a_100000210174_200012177212 [0,1,0,0,0,1|2,0,0]=4 4609 B10R0.55 O=C(O)CONCC(O)CO 269956a_100000106656_100011219619 [0,1,0,0,0,1|2,0,0]=4 4610 B10R0.55 O=C(O)CONC[C@@H](O)CF 269956a_100000106656_100015614560 [0,1,0,0,0,1|2,0,0]=4 4611 B10R0.55 O=C(O)CONC[C@@H](O)CO 269956a_100000106656_100009815848 [0,1,0,0,0,1|2,0,0]=4 4612 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,1,0,0,0,1|2,0,0]=4 4613 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,1,0,0,0,1|2,0,0]=4 4614 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,1,0,0,0,1|2,0,0]=4 4615 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,1,0,0,0,1|0,0,2]=4 4616 B10R0.96 C=C(C)CCN(C)CC(C)C 2230a_100000747067_100000730704 [0,1,0,0,0,1|2,0,0]=4 4617 B10R0.96 C=C(C)CCN(C)CC(C)C 269982a_100000747067_100000730704 [0,1,0,0,0,1|2,0,0]=4 4618 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000225649_100000210312 [0,1,0,0,0,1|2,0,0]=4 4619 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000742789_100000748629 [0,1,0,0,0,1|2,0,0]=4 4620 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000225649_100000210312 [0,1,0,0,0,1|2,0,0]=4 4621 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000742789_100000748629 [0,1,0,0,0,1|2,0,0]=4 4622 B10R0.96 C=C(C)CNC(C)CC(C)C 2230a_100000692259_100000748629 [0,1,0,0,0,1|2,0,0]=4 4623 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000210245_100000731052 [0,1,0,0,0,1|2,0,0]=4 4624 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000211805_100000748629 [0,1,0,0,0,1|2,0,0]=4 4625 B10R0.96 C=C(C)COC(C)CC(C)C 7a_100000211805_100000748629 [0,1,0,0,0,1|2,0,0]=4 4626 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000731052_100000211660 [0,1,0,0,0,1|2,0,0]=4 4627 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000748629_100000731052 [0,1,0,0,0,1|2,0,0]=4 4628 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,1,0,0,0,1|2,0,0]=4 4629 B10R0.96 C=C(F)CN(C)CCC(C)C 2230a_100000742789_100009893438 [0,1,0,0,0,1|2,0,0]=4 4630 B10R0.96 C=C(F)CN(C)CCC(C)C 269982a_100000742789_100009893438 [0,1,0,0,0,1|2,0,0]=4 4631 B10R0.96 C=C(F)CNC(C)CC(C)C 2230a_100000692259_100009893438 [0,1,0,0,0,1|2,0,0]=4 4632 B10R0.96 C=C(F)COC(C)CC(C)C 34a_100000211805_100009893438 [0,1,0,0,0,1|2,0,0]=4 4633 B10R0.96 C=C(F)COC(C)CC(C)C 34a_200010262243_100000731052 [0,1,0,0,0,1|2,0,0]=4 4634 B10R0.96 C=C(F)COC(C)CC(C)C 7a_100000211805_100000042424 [0,1,0,0,0,1|2,0,0]=4 4635 B10R0.96 C=C(F)CSC(C)CC(C)C 62a_100000042424_100000731052 [0,1,0,0,0,1|2,0,0]=4 4636 B10R0.96 C=C(F)CSC(C)CC(C)C 62a_100000731052_100000042424 [0,1,0,0,0,1|2,0,0]=4 4637 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,1,0,0,0,1|0,0,2]=4 4638 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,1,0,0,0,1|1,0,1]=4 4639 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,0,0,0,1|1,0,1]=4 4640 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,1|1,0,1]=4 4641 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,1,0,0,0,1|1,0,1]=4 4642 B10R0.96 CC(=O)CCN(C)CC(C)C 269982a_100000747067_100000053229 [0,1,0,0,0,1|1,0,0]=3 4643 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,1,0,0,0,1|2,0,0]=4 4644 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,1,0,0,0,1|1,0,1]=4 4645 B10R0.96 CC(=O)COC(C)CC(C)C 34a_100000211253_100000731052 [0,1,0,0,0,1|1,0,0]=3 4646 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 4647 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 4648 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 4649 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,1,0,0,0,1|1,0,0]=3 4650 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,1,0,0,0,1|1,0,1]=4 4651 B10R0.96 CC(=O)NCC(O)CN(C)C 240690a_100000737402_100015343762 [0,1,0,0,0,1|2,0,0]=4 4652 B10R0.96 CC(=O)NCC(O)CN(C)C 527a_100000737402_100103153847 [0,1,0,0,0,1|2,0,0]=4 4653 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,1,0,0,0,1|2,0,0]=4 4654 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,1,0,0,0,1|2,0,0]=4 4655 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,0,0,0,1|1,0,1]=4 4656 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,1,0,0,0,1|2,0,0]=4 4657 B10R0.96 CC(=O)OCN(C)CC(C)C 269982a_100000747067_100000076356 [0,1,0,0,0,1|2,0,0]=4 4658 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,1,0,0,0,1|1,0,1]=4 4659 B10R0.96 CC(=O)SCC(C)CN(C)C 2230a_100102631434_200000116872 [0,1,0,0,0,1|2,0,0]=4 4660 B10R0.96 CC(=O)SCC(C)CN(C)C 269982a_100102631434_200000116872 [0,1,0,0,0,1|2,0,0]=4 4661 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,1,0,0,0,1|1,0,0]=3 4662 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,1|1,0,1]=4 4663 B10R0.96 CC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210624 [0,1,0,0,0,1|1,0,1]=4 4664 B10R0.96 CC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000210624 [0,1,0,0,0,1|1,0,1]=4 4665 B10R0.96 CC(C)CC(=O)NCC(=O)N 11a_100000711301_100000210554 [0,1,0,0,0,1|1,0,1]=4 4666 B10R0.96 CC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000210554 [0,1,0,0,0,1|1,0,1]=4 4667 B10R0.96 CC(C)CC(=O)NCC(=O)N 527a_100000711301_100000210554 [0,1,0,0,0,1|1,0,1]=4 4668 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,1,0,0,0,1|1,0,1]=4 4669 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000692259_100000747473 [0,1,0,0,0,1|1,0,0]=3 4670 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000711301_100000731052 [0,1,0,0,0,1|1,0,0]=3 4671 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [0,1,0,0,0,1|0,0,0]=2 4672 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000210904_100000731052 [0,1,0,0,0,1|1,0,1]=4 4673 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000692259_100011218427 [0,1,0,0,0,1|1,0,1]=4 4674 B10R0.96 CC(C)CC(C)NCC(C)O 34a_100000210904_100000731052 [0,1,0,0,0,1|1,0,1]=4 4675 B10R0.96 CC(C)CC(C)NC[C@@H](C)O 2230a_100000692259_100009817552 [0,1,0,0,0,1|1,0,1]=4 4676 B10R0.96 CC(C)CC(C)OCC(=O)N 34a_100000211805_100000187820 [0,1,0,0,0,1|1,0,0]=3 4677 B10R0.96 CC(C)CC(C)OCC(=O)N 7a_100000211805_100000187820 [0,1,0,0,0,1|1,0,0]=3 4678 B10R0.96 CC(C)CC(C)OCC(=O)[O-] 34a_100000211805_100020667443 [0,1,0,0,0,1|0,0,1]=3 4679 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [0,1,0,0,0,1|1,0,1]=4 4680 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [0,1,0,0,0,1|1,0,1]=4 4681 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [0,1,0,0,0,1|1,0,1]=4 4682 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [0,1,0,0,0,1|1,0,1]=4 4683 B10R0.96 CC(C)CC(C)OC[N+](=O)[O-] 34a_100000211805_100000761209 [0,1,0,0,0,1|1,0,1]=4 4684 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000731052_100000747473 [0,1,0,0,0,1|1,0,0]=3 4685 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000747473_100000731052 [0,1,0,0,0,1|1,0,0]=3 4686 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100000731052_100020667443 [0,1,0,0,0,1|0,0,1]=3 4687 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100020667443_100000731052 [0,1,0,0,0,1|0,0,1]=3 4688 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100000731052_100011218427 [0,1,0,0,0,1|1,0,1]=4 4689 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100011218427_100000731052 [0,1,0,0,0,1|1,0,1]=4 4690 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100000731052_100009817552 [0,1,0,0,0,1|1,0,1]=4 4691 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100009817552_100000731052 [0,1,0,0,0,1|1,0,1]=4 4692 B10R0.96 CC(C)CC(C)SC[N+](=O)[O-] 62a_100000731052_100000761209 [0,1,0,0,0,1|1,0,1]=4 4693 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,1,0,0,0,1|1,0,0]=3 4694 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,1,0,0,0,1|1,0,0]=3 4695 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,1,0,0,0,1|0,0,1]=3 4696 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,1|1,0,1]=4 4697 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,1|1,0,1]=4 4698 B10R0.96 CC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000181311_100000761209 [0,1,0,0,0,1|1,0,1]=4 4699 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,1,0,0,0,1|1,0,0]=3 4700 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,1,0,0,0,1|1,0,0]=3 4701 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,1,0,0,0,1|1,0,0]=3 4702 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,1,0,0,0,1|0,0,0]=2 4703 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,1,0,0,0,1|0,0,1]=3 4704 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,1,0,0,0,1|1,0,1]=4 4705 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,1,0,0,0,1|1,0,1]=4 4706 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,1,0,0,0,1|1,0,1]=4 4707 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,1,0,0,0,1|1,0,1]=4 4708 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,1,0,0,0,1|1,0,1]=4 4709 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,1,0,0,0,1|1,0,1]=4 4710 B10R0.96 CC(C)CCN(C)C[N+](=O)[O-] 269982a_100000742789_100000761209 [0,1,0,0,0,1|1,0,1]=4 4711 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000730477_100000210760 [0,1,0,0,0,1|1,0,0]=3 4712 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000747067_100000744528 [0,1,0,0,0,1|1,0,0]=3 4713 B10R0.96 CC(C)CN(C)CCC(=O)N 269982a_100000747067_100000744528 [0,1,0,0,0,1|1,0,0]=3 4714 B10R0.96 CC(C)CN(C)CCC(=O)N 270004a_100000730477_100000210432 [0,1,0,0,0,1|1,0,0]=3 4715 B10R0.96 CC(C)CN(C)CCC(C)O 2230a_100000747067_100012276601 [0,1,0,0,0,1|1,0,1]=4 4716 B10R0.96 CC(C)CN(C)CCC(C)O 269982a_100000747067_100012276601 [0,1,0,0,0,1|1,0,1]=4 4717 B10R0.96 CC(C)CNC(=O)CC(=O)N 240690a_100000210953_100134613110 [0,1,0,0,0,1|1,0,1]=4 4718 B10R0.96 CC(C)CNC(=O)CC(=O)N 527a_100000210953_100134613110 [0,1,0,0,0,1|1,0,1]=4 4719 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,1,0,0,0,1|1,0,1]=4 4720 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,1,0,0,0,1|1,0,1]=4 4721 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,1,0,0,0,1|0,0,0]=2 4722 B10R0.96 CC(C)OCC(=O)CC(=O)N 1458a_100000745533_100000187820 [0,1,0,0,0,1|1,0,1]=4 4723 B10R0.96 CC(C)OCC(=O)CC(=O)[O-] 1458a_100000745533_100020667443 [0,1,0,0,0,1|0,0,2]=4 4724 B10R0.96 CC(C)OCN(C)CC(=O)N 2230a_100000739694_100000709892 [0,1,0,0,0,1|2,0,0]=4 4725 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [0,1,0,0,0,1|1,0,0]=3 4726 B10R0.96 CC(C)SCC(=O)CC(=O)N 1458a_100000241585_100000187820 [0,1,0,0,0,1|1,0,1]=4 4727 B10R0.96 CC(C)SCC(=O)CC(=O)[O-] 1458a_100000241585_100020667443 [0,1,0,0,0,1|0,0,2]=4 4728 B10R0.96 CC(CN(C)C)NCC(=O)O 269956a_100016091260_100020606517 [0,1,0,0,0,1|1,0,0]=3 4729 B10R0.96 CC(CN(C)C)SCC(=O)N 62a_100000747473_100020606517 [0,1,0,0,0,1|2,0,0]=4 4730 B10R0.96 CC(CN(C)C)SCC(=O)N 62a_100020606517_100000747473 [0,1,0,0,0,1|2,0,0]=4 4731 B10R0.96 CC(CN(C)C)SCC(=O)[O-] 62a_100020606517_100020667443 [0,1,0,0,0,1|1,0,1]=4 4732 B10R0.96 CC(CN(C)C)SCC(=O)[O-] 62a_100020667443_100020606517 [0,1,0,0,0,1|1,0,1]=4 4733 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,1,0,0,0,1|2,0,0]=4 4734 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,1,0,0,0,1|2,0,0]=4 4735 B10R0.96 CC(O)CCN(C)CC(=O)N 2230a_100000739694_100012276601 [0,1,0,0,0,1|2,0,0]=4 4736 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,1,0,0,0,1|1,0,0]=3 4737 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000227577_100000744528 [0,1,0,0,0,1|2,0,0]=4 4738 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000730477_100011218427 [0,1,0,0,0,1|2,0,0]=4 4739 B10R0.96 CC(O)CN(C)CCC(=O)N 269982a_100000227577_100000744528 [0,1,0,0,0,1|2,0,0]=4 4740 B10R0.96 CN(C)CCN(C)CC(=O)N 269982a_100000225618_100000187820 [0,1,0,0,0,1|2,0,0]=4 4741 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,1,0,0,0,1|1,0,0]=3 4742 B10R0.96 CN(C)CCN(C)CC(=O)[O-] 269982a_100000225618_100020667443 [0,1,0,0,0,1|1,0,1]=4 4743 B10R0.96 C[C@@H](O)CN(C)CCC(=O)N 2230a_100000730477_100009817552 [0,1,0,0,0,1|2,0,0]=4 4744 B10R0.96 C[S+](C)CCC(=O)CC(=O)N 1458a_100009452791_100000187820 [0,1,0,0,0,1|2,0,0]=4 4745 B10R0.96 C[S+](C)CCC(=O)CC(=O)[O-] 1458a_100009452791_100020667443 [0,1,0,0,0,1|1,0,1]=4 4746 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,1,0,0,0,1|2,0,0]=4 4747 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [0,1,0,0,0,1|2,0,0]=4 4748 B10R0.98 C=C(C)CCNC(C)C(C)C 2230a_100000211541_100000730704 [0,1,0,0,0,1|2,0,0]=4 4749 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,1,0,0,0,1|0,0,2]=4 4750 B10R0.98 C=C(C)CCOC(C)C(C)C 7a_100000748068_100000730704 [0,1,0,0,0,1|2,0,0]=4 4751 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,1,0,0,0,1|0,0,2]=4 4752 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,1,0,0,0,1|0,0,2]=4 4753 B10R0.98 C=C(C)CNCC(O)C(C)C 2230a_100000759067_100000748629 [0,1,0,0,0,1|2,0,0]=4 4754 B10R0.98 C=C(C)CNCC(O)C(C)C 34a_100000759067_100000748629 [0,1,0,0,0,1|2,0,0]=4 4755 B10R0.98 C=C(C)COC[C@H](N)C(C)C 34a_100011830312_100000748629 [0,1,0,0,0,1|2,0,0]=4 4756 B10R0.98 C=C(F)CNCC(O)C(C)C 2230a_100000759067_100009893438 [0,1,0,0,0,1|2,0,0]=4 4757 B10R0.98 C=C(F)CNCC(O)C(C)C 34a_100000759067_100009893438 [0,1,0,0,0,1|2,0,0]=4 4758 B10R0.98 C=C(F)COC[C@H](N)C(C)C 34a_100011830312_100009893438 [0,1,0,0,0,1|2,0,0]=4 4759 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,1,0,0,0,1|0,0,2]=4 4760 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,1,0,0,0,1|1,0,1]=4 4761 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,1,0,0,0,1|1,0,1]=4 4762 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,1,0,0,0,1|1,0,1]=4 4763 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,1,0,0,0,1|1,0,1]=4 4764 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,1,0,0,0,1|1,0,0]=3 4765 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,1,0,0,0,1|1,0,0]=3 4766 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,1,0,0,0,1|2,0,0]=4 4767 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,1,0,0,0,1|2,0,0]=4 4768 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,1,0,0,0,1|2,0,0]=4 4769 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,1,0,0,0,1|2,0,0]=4 4770 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,1,0,0,0,1|2,0,0]=4 4771 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,1,0,0,0,1|1,0,0]=3 4772 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,1,0,0,0,1|1,0,0]=3 4773 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,1,0,0,0,1|2,0,0]=4 4774 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,1,0,0,0,1|2,0,0]=4 4775 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,1,0,0,0,1|1,0,0]=3 4776 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,1,0,0,0,1|1,0,0]=3 4777 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,1,0,0,0,1|2,0,0]=4 4778 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,1,0,0,0,1|2,0,0]=4 4779 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,1,0,0,0,1|2,0,0]=4 4780 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,1,0,0,0,1|2,0,0]=4 4781 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,1,0,0,0,1|2,0,0]=4 4782 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,0,1|1,0,0]=3 4783 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,1,0,0,0,1|2,0,0]=4 4784 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,1,0,0,0,1|2,0,0]=4 4785 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,0,0,0,1|2,0,0]=4 4786 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,0,0,0,1|2,0,0]=4 4787 B10R0.98 CC(=O)CCCN(C)C(C)C 269982a_200000211004_100011215641 [0,1,0,0,0,1|1,0,0]=3 4788 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,0,1|1,0,1]=4 4789 B10R0.98 CC(=O)CCOC(C)C(C)C 7a_100000748068_100000053229 [0,1,0,0,0,1|1,0,0]=3 4790 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,1,0,0,0,1|1,0,1]=4 4791 B10R0.98 CC(=O)N(C)CCCN(C)C 240690a_100000225831_100015343762 [0,1,0,0,0,1|2,0,0]=4 4792 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,1,0,0,0,1|1,0,1]=4 4793 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,1,0,0,0,1|1,0,1]=4 4794 B10R0.98 CC(=O)NCCN(C)C(C)C 1626a_100000749581_100015343762 [0,1,0,0,0,1|2,0,0]=4 4795 B10R0.98 CC(=O)NCCN(C)C(C)C 240690a_100000749581_100015343762 [0,1,0,0,0,1|2,0,0]=4 4796 B10R0.98 CC(=O)NCCN(C)C(C)C 269982a_200000211004_100000189650 [0,1,0,0,0,1|2,0,0]=4 4797 B10R0.98 CC(=O)NCCN(C)C(C)C 527a_100000749581_100103153847 [0,1,0,0,0,1|2,0,0]=4 4798 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,1,0,0,0,1|1,0,1]=4 4799 B10R0.98 CC(=O)OCCN(C)C(C)C 269982a_200000211004_100009814007 [0,1,0,0,0,1|2,0,0]=4 4800 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,1,0,0,0,1|1,0,1]=4 4801 B10R0.98 CC(Br)CCOC(C)C(=O)N 34a_100009893172_100000702099 [0,1,0,0,0,1|2,0,0]=4 4802 B10R0.98 CC(Br)CCOC(F)C(=O)N 34a_100009893172_100009813875 [0,1,0,0,0,1|2,0,0]=4 4803 B10R0.98 CC(Br)CCOC(F)C(=O)[O-] 34a_100009893172_100020610796 [0,1,0,0,0,1|1,0,1]=4 4804 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,1,0,0,0,1|1,0,0]=3 4805 B10R0.98 CC(C)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210206 [0,1,0,0,0,1|1,0,1]=4 4806 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000210206 [0,1,0,0,0,1|1,0,1]=4 4807 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000210198_200000034859 [0,1,0,0,0,1|1,0,1]=4 4808 B10R0.98 CC(C)C(=O)CCOC(=O)N 1458a_100000210198_200011214921 [0,1,0,0,0,1|1,0,1]=4 4809 B10R0.98 CC(C)C(=O)CNCC(=O)N 2230a_100000711301_100000753385 [0,1,0,0,0,1|1,0,1]=4 4810 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,1,0,0,0,1|0,0,1]=3 4811 B10R0.98 CC(C)C(=O)COCC(=O)N 1458a_100011219004_100000210206 [0,1,0,0,0,1|1,0,1]=4 4812 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000747473_100000753385 [0,1,0,0,0,1|1,0,1]=4 4813 B10R0.98 CC(C)C(=O)CSCC(=O)N 62a_100000753385_100000747473 [0,1,0,0,0,1|1,0,1]=4 4814 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100000753385_100020667443 [0,1,0,0,0,1|0,0,2]=4 4815 B10R0.98 CC(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000753385 [0,1,0,0,0,1|0,0,2]=4 4816 B10R0.98 CC(C)C(=O)NCCC(=O)N 11a_100000740010_100000210198 [0,1,0,0,0,1|1,0,1]=4 4817 B10R0.98 CC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000210198 [0,1,0,0,0,1|1,0,1]=4 4818 B10R0.98 CC(C)C(=O)NCCC(=O)N 527a_100000740010_100000210198 [0,1,0,0,0,1|1,0,1]=4 4819 B10R0.98 CC(C)C(C)NCCC(=O)N 2230a_100000211541_100000744528 [0,1,0,0,0,1|1,0,0]=3 4820 B10R0.98 CC(C)C(C)OCCC(=O)N 7a_100000748068_100000744528 [0,1,0,0,0,1|1,0,0]=3 4821 B10R0.98 CC(C)C(O)CNCC(=O)N 2230a_100000759067_100000747473 [0,1,0,0,0,1|1,0,0]=3 4822 B10R0.98 CC(C)C(O)CNCC(=O)N 34a_100000759067_100000187820 [0,1,0,0,0,1|1,0,0]=3 4823 B10R0.98 CC(C)C(O)CNCC(=O)[O-] 34a_100000759067_100020667443 [0,1,0,0,0,1|0,0,1]=3 4824 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 2230a_100000759067_100009817552 [0,1,0,0,0,1|1,0,1]=4 4825 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 34a_100000759067_100009817552 [0,1,0,0,0,1|1,0,1]=4 4826 B10R0.98 CC(C)C(O)CNC[N+](=O)[O-] 34a_100000759067_100000761209 [0,1,0,0,0,1|1,0,1]=4 4827 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [0,1,0,0,0,1|0,0,2]=4 4828 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,1,0,0,0,1|1,0,1]=4 4829 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,1,0,0,0,1|1,0,1]=4 4830 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,1,0,0,0,1|1,0,1]=4 4831 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,1,0,0,0,1|0,0,0]=2 4832 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,1,0,0,0,1|1,0,0]=3 4833 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,1,0,0,0,1|1,0,0]=3 4834 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,1,0,0,0,1|1,0,0]=3 4835 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,1,0,0,0,1|1,0,0]=3 4836 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,1,0,0,0,1|1,0,0]=3 4837 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,1,0,0,0,1|1,0,0]=3 4838 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,1,0,0,0,1|0,0,1]=3 4839 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,1,0,0,0,1|0,0,1]=3 4840 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,1,0,0,0,1|1,0,0]=3 4841 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,1,0,0,0,1|1,0,0]=3 4842 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,1,0,0,0,1|1,0,0]=3 4843 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,1,0,0,0,1|1,0,0]=3 4844 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,1,0,0,0,1|1,0,0]=3 4845 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,1,0,0,0,1|1,0,0]=3 4846 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,1,0,0,0,1|0,0,1]=3 4847 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,1,0,0,0,1|0,0,1]=3 4848 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,1,0,0,0,1|0,0,0]=2 4849 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,1,0,0,0,1|0,0,0]=2 4850 B10R0.98 CC(C)COCC(C)[N+](=O)[O-] 34a_100000039676_100000210624 [0,1,0,0,0,1|1,0,1]=4 4851 B10R0.98 CC(C)COCC(C)[N+](=O)[O-] 7a_100000039676_100000210760 [0,1,0,0,0,1|1,0,1]=4 4852 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,1,0,0,0,1|1,0,0]=3 4853 B10R0.98 CC(C)N(C)CCCC(=O)N 269982a_200000211004_100102525003 [0,1,0,0,0,1|1,0,0]=3 4854 B10R0.98 CC(C)N(C)CCCC(=O)O 269956a_100000719178_100000210206 [0,1,0,0,0,1|0,0,0]=2 4855 B10R0.98 CC(C)N(C)CCNC(=O)N 269982a_200000211004_200000034859 [0,1,0,0,0,1|2,0,0]=4 4856 B10R0.98 CC(C)N(C)CCOC(=O)N 269982a_200000211004_200011214921 [0,1,0,0,0,1|2,0,0]=4 4857 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,1,0,0,0,1|1,0,0]=3 4858 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 2230a_100000119354_100000709892 [0,1,0,0,0,1|2,0,0]=4 4859 B10R0.98 CC(C)OCN[C@H](C)C(=O)N 34a_100000119354_100000709892 [0,1,0,0,0,1|2,0,0]=4 4860 B10R0.98 CC(C)OCO[C@H](C)C(=O)N 34a_100000731257_100000709892 [0,1,0,0,0,1|2,0,0]=4 4861 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000702099_100000709892 [0,1,0,0,0,1|2,0,0]=4 4862 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000709892_100000702099 [0,1,0,0,0,1|2,0,0]=4 4863 B10R0.98 CC(C)OCSC(F)C(=O)N 62a_100000709892_100009813875 [0,1,0,0,0,1|2,0,0]=4 4864 B10R0.98 CC(C)OCSC(F)C(=O)N 62a_100009813875_100000709892 [0,1,0,0,0,1|2,0,0]=4 4865 B10R0.98 CC(C)OCSC(F)C(=O)[O-] 62a_100000709892_100020610796 [0,1,0,0,0,1|1,0,1]=4 4866 B10R0.98 CC(C)OCSC(F)C(=O)[O-] 62a_100020610796_100000709892 [0,1,0,0,0,1|1,0,1]=4 4867 B10R0.98 CC(C)[C@@H](N)COCC(=O)N 34a_100011830312_100000187820 [0,1,0,0,0,1|1,0,0]=3 4868 B10R0.98 CC(C)[C@@H](N)COCC(=O)[O-] 34a_100011830312_100020667443 [0,1,0,0,0,1|0,0,1]=3 4869 B10R0.98 CC(C)[C@@H](N)COC[C@@H](C)O 34a_100011830312_100009817552 [0,1,0,0,0,1|1,0,1]=4 4870 B10R0.98 CC(C)[C@@H](N)COC[N+](=O)[O-] 34a_100011830312_100000761209 [0,1,0,0,0,1|1,0,1]=4 4871 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,1,0,0,0,1|2,0,0]=4 4872 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,1,0,0,0,1|1,0,0]=3 4873 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,1,0,0,0,1|2,0,0]=4 4874 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,1,0,0,0,1|1,0,1]=4 4875 B10R0.98 CC(O)CCCN(C)C(C)C 269982a_200000211004_200000718107 [0,1,0,0,0,1|1,0,1]=4 4876 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,1,0,0,0,1|2,0,0]=4 4877 B10R0.98 CC(O)CCNC(C)C(C)C 2230a_100000211541_100012276601 [0,1,0,0,0,1|1,0,1]=4 4878 B10R0.98 CC(O)CCNC(F)C(=O)N 2230a_200000755665_100009813875 [0,1,0,0,0,1|2,0,0]=4 4879 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,1,0,0,0,1|1,0,0]=3 4880 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,1,0,0,0,1|2,0,0]=4 4881 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,1,0,0,0,1|2,0,0]=4 4882 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [0,1,0,0,0,1|1,0,1]=4 4883 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,1,0,0,0,1|1,0,1]=4 4884 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,1,0,0,0,1|2,0,0]=4 4885 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,1,0,0,0,1|2,0,0]=4 4886 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,1,0,0,0,1|2,0,0]=4 4887 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,1,0,0,0,1|2,0,0]=4 4888 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100009813875_100012276601 [0,1,0,0,0,1|2,0,0]=4 4889 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100012276601_100009813875 [0,1,0,0,0,1|2,0,0]=4 4890 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100012276601_100020610796 [0,1,0,0,0,1|1,0,1]=4 4891 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100020610796_100012276601 [0,1,0,0,0,1|1,0,1]=4 4892 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,1,0,0,0,1|1,0,0]=3 4893 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,1,0,0,0,1|1,0,0]=3 4894 B10R0.98 CC(O)CNCC(O)C(C)C 2230a_100000759067_100011218427 [0,1,0,0,0,1|1,0,1]=4 4895 B10R0.98 CC(O)CNCC(O)C(C)C 34a_100000759067_100011218427 [0,1,0,0,0,1|1,0,1]=4 4896 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,1,0,0,0,1|2,0,0]=4 4897 B10R0.98 CC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218427 [0,1,0,0,0,1|1,0,1]=4 4898 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,1,0,0,0,1|2,0,0]=4 4899 B10R0.98 CC(SCCN(C)C)C(=O)N 62a_100000702099_100000755713 [0,1,0,0,0,1|2,0,0]=4 4900 B10R0.98 CN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000692301 [0,1,0,0,0,1|1,0,1]=4 4901 B10R0.98 CN(C)CCSC(F)C(=O)N 62a_100009813875_100000755713 [0,1,0,0,0,1|2,0,0]=4 4902 B10R0.98 CN(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000755713 [0,1,0,0,0,1|1,0,1]=4 4903 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,1,0,0,0,1|2,0,0]=4 4904 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,1,0,0,0,1|1,0,1]=4 4905 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,1,0,0,0,1|2,0,0]=4 4906 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,1,0,0,0,1|1,0,0]=3 4907 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,1,0,0,0,1|2,0,0]=4 4908 B10R0.98 C[C@@H](OCCN(C)C)C(=O)N 7a_100000731257_100000755713 [0,1,0,0,0,1|2,0,0]=4 4909 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,1,0,0,0,1|1,0,0]=3 4910 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,1,0,0,0,1|2,0,0]=4 4911 B10R0.98 C[C@H](OCCN(C)C)C(=O)[O-] 7a_217856618621_100000755713 [0,1,0,0,0,1|1,0,1]=4 4912 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,1,0,0,0,1|2,0,0]=4 4913 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,2,0,0,0,0|1,0,0]=3 4914 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,2,0,0,0,0|1,0,0]=3 4915 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,2,0,0,0,0|2,0,0]=4 4916 B10R0.3 C#CCC(=O)CCCN(C)C 1458a_100011220946_100000695564 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.3 C#CCC(=O)CCOC(C)C 1458a_100011220946_100000211751 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.3 C#CCC(=O)CCSC(C)C 1458a_100011220946_100000730970 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.3 C#CCC(=O)COCC(C)C 1458a_100011223364_100000184674 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.3 C#CCC(=O)NCCC(C)C 1626a_100000210545_100011220946 [0,2,0,0,0,0|2,0,0]=4 4921 B10R0.3 C#CCC(=O)NCCC(C)C 527a_100000210545_100011220946 [0,2,0,0,0,0|2,0,0]=4 4922 B10R0.3 C#CCC(C)OCCC(=O)C 7a_100000685586_100000053229 [0,2,0,0,0,0|2,0,0]=4 4923 B10R0.3 C#CCC(C)OCCC(=O)N 34a_100000685586_100000731001 [0,2,0,0,0,0|2,0,0]=4 4924 B10R0.3 C#CCC(C)OCCC(=O)N 7a_100000685586_100000744528 [0,2,0,0,0,0|2,0,0]=4 4925 B10R0.3 C#CCN(C)CCCC(=O)C 34a_100000225692_100000685027 [0,2,0,0,0,0|2,0,0]=4 4926 B10R0.3 C#CCN(C)CCCC(=O)N 34a_100000225692_100102525003 [0,2,0,0,0,0|2,0,0]=4 4927 B10R0.3 C#CCN(C)CCCC(=O)O 269956a_100000719178_100000184674 [0,2,0,0,0,0|1,0,0]=3 4928 B10R0.3 C/C=C/C(C)OCCC(=O)N 34a_200102604097_100000731001 [0,2,0,0,0,0|2,0,0]=4 4929 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,2,0,0,0,0|1,0,0]=3 4930 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,2,0,0,0,0|1,0,0]=3 4931 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|2,0,0]=4 4932 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,2,0,0,0,0|2,0,0]=4 4933 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,2,0,0,0,0|2,0,0]=4 4934 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,2,0,0,0,0|2,0,0]=4 4935 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,2,0,0,0,0|2,0,0]=4 4936 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [0,2,0,0,0,0|2,0,0]=4 4937 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [0,2,0,0,0,0|2,0,0]=4 4938 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [0,2,0,0,0,0|2,0,0]=4 4939 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [0,2,0,0,0,0|2,0,0]=4 4940 B10R0.3 C=CCC(C)COCC(=O)N 34a_100009832082_100000187820 [0,2,0,0,0,0|2,0,0]=4 4941 B10R0.3 C=CCC(C)COCC(=O)N 7a_100009832082_100000187820 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.3 C=CCC(C)COCC(=O)[O-] 34a_100009832082_100020667443 [0,2,0,0,0,0|1,0,1]=4 4943 B10R0.3 C=CCN(C)CCCC(=O)C 269982a_100000225617_100011215641 [0,2,0,0,0,0|2,0,0]=4 4944 B10R0.3 C=CCN(C)CCCC(=O)N 269982a_100000225617_100102525003 [0,2,0,0,0,0|2,0,0]=4 4945 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,2,0,0,0,0|1,0,0]=3 4946 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 7a_100000731007_100000053229 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 34a_100000731007_100000731001 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 7a_100000731007_100000744528 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [0,2,0,0,0,0|1,0,0]=3 4950 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [0,2,0,0,0,0|1,0,0]=3 4951 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,2,0,0,0,0|2,0,0]=4 4953 B10R0.3 C=COC(=O)COCC(C)Br 34a_100012180447_100000036128 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [0,2,0,0,0,0|1,0,0]=3 4955 B10R0.3 C=COC(=O)COCC(C)F 34a_100015925927_100000036128 [0,2,0,0,0,0|2,0,0]=4 4956 B10R0.3 C=COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036128 [0,2,0,0,0,0|2,0,0]=4 4957 B10R0.3 C=COC(=O)COC[C@@H](C)N 34a_100000737577_100000036128 [0,2,0,0,0,0|2,0,0]=4 4958 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,2,0,0,0,0|1,0,0]=3 4959 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,2,0,0,0,0|1,0,0]=3 4960 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,2,0,0,0,0|2,0,0]=4 4962 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,2,0,0,0,0|2,0,0]=4 4963 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,2,0,0,0,0|2,0,0]=4 4964 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,2,0,0,0,0|1,0,0]=3 4965 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|2,0,0]=4 4966 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,2,0,0,0,0|2,0,0]=4 4967 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,2,0,0,0,0|2,0,0]=4 4968 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.3 CC#CC(C)OCCC(=O)N 34a_100011216543_100000731001 [0,2,0,0,0,0|2,0,0]=4 4970 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,2,0,0,0,0|0,0,2]=4 4971 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|1,0,1]=4 4972 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,2,0,0,0,0|2,0,0]=4 4973 B10R0.3 CC(=O)CCOC(C)CC#N 7a_100000759926_100009813641 [0,2,0,0,0,0|2,0,0]=4 4974 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 4975 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 4976 B10R0.3 CC(=O)CCSC(C)CC#N 62a_100000053229_100009813641 [0,2,0,0,0,0|2,0,0]=4 4977 B10R0.3 CC(=O)CCSC(C)CC#N 62a_100009813641_100000053229 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,2,0,0,0,0|2,0,0]=4 4979 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,2,0,0,0,0|2,0,0]=4 4980 B10R0.3 CC(Br)COCC(=O)NCO 34a_100012180447_100000185155 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,2,0,0,0,0|0,0,2]=4 4982 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,2,0,0,0,0|1,0,0]=3 4983 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,2,0,0,0,0|1,0,0]=3 4984 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,2,0,0,0,0|1,0,0]=3 4985 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,2,0,0,0,0|1,0,0]=3 4986 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,2,0,0,0,0|1,0,0]=3 4987 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|1,0,0]=3 4988 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|0,0,0]=2 4989 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|0,0,0]=2 4990 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,2,0,0,0,0|1,0,1]=4 4991 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,2,0,0,0,0|1,0,1]=4 4992 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.3 CC(C)CCNC(=O)C=CBr 1626a_100000210545_100016273825 [0,2,0,0,0,0|2,0,0]=4 4995 B10R0.3 CC(C)CCNC(=O)C=CBr 240690a_100000210545_100016273825 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.3 CC(C)CCNC(=O)C=CCl 11a_100000210545_200016279998 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.3 CC(C)CCNC(=O)C=CCl 1626a_100000210545_200016279998 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.3 CC(C)CCNC(=O)C=CCl 240690a_100000210545_200016279998 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.3 CC(C)CCNC(=O)C=CI 1626a_100000210545_100016256311 [0,2,0,0,0,0|2,0,0]=4 5000 B10R0.3 CC(C)CCNC(=O)CC#N 1626a_100000210545_100051588842 [0,2,0,0,0,0|2,0,0]=4 5001 B10R0.3 CC(C)CCNC(=O)CC#N 240690a_100000210545_100051588842 [0,2,0,0,0,0|2,0,0]=4 5002 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,2,0,0,0,0|1,0,0]=3 5003 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,2,0,0,0,0|1,0,0]=3 5004 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,2,0,0,0,0|1,0,0]=3 5005 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,2,0,0,0,0|2,0,0]=4 5006 B10R0.3 CC(C)COCC(=O)CC#N 1458a_100011223364_100011214920 [0,2,0,0,0,0|2,0,0]=4 5007 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,2,0,0,0,0|1,0,0]=3 5009 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,2,0,0,0,0|1,0,0]=3 5010 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,2,0,0,0,0|1,0,0]=3 5011 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,2,0,0,0,0|1,0,0]=3 5012 B10R0.3 CC(C)OCCC(=O)C=CBr 1458a_100016273825_100000211751 [0,2,0,0,0,0|2,0,0]=4 5013 B10R0.3 CC(C)OCCC(=O)C=CCl 1458a_200016279998_100000211751 [0,2,0,0,0,0|2,0,0]=4 5014 B10R0.3 CC(C)OCCC(=O)C=CI 1458a_100016256311_100000211751 [0,2,0,0,0,0|2,0,0]=4 5015 B10R0.3 CC(C)OCCC(=O)CC#N 1458a_100051588842_100000211751 [0,2,0,0,0,0|2,0,0]=4 5016 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,2,0,0,0,0|1,0,0]=3 5017 B10R0.3 CC(C)SCCC(=O)C=CBr 1458a_100016273825_100000730970 [0,2,0,0,0,0|2,0,0]=4 5018 B10R0.3 CC(C)SCCC(=O)C=CCl 1458a_200016279998_100000730970 [0,2,0,0,0,0|2,0,0]=4 5019 B10R0.3 CC(C)SCCC(=O)C=CI 1458a_100016256311_100000730970 [0,2,0,0,0,0|2,0,0]=4 5020 B10R0.3 CC(C)SCCC(=O)CC#N 1458a_100051588842_100000730970 [0,2,0,0,0,0|2,0,0]=4 5021 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,2,0,0,0,0|1,0,0]=3 5022 B10R0.3 CC(CC#N)NOCC(=O)O 269956a_100000106656_100009813641 [0,2,0,0,0,0|2,0,0]=4 5023 B10R0.3 CC(CC#N)OCCC(=O)N 7a_100000757172_100009813641 [0,2,0,0,0,0|2,0,0]=4 5024 B10R0.3 CC(CC#N)SCCC(=O)N 62a_100000744528_100009813641 [0,2,0,0,0,0|2,0,0]=4 5025 B10R0.3 CC(CC#N)SCCC(=O)N 62a_100009813641_100000744528 [0,2,0,0,0,0|2,0,0]=4 5026 B10R0.3 CC(CCBr)OCCC(=O)N 34a_100012276601_100000731001 [0,2,0,0,0,0|2,0,0]=4 5027 B10R0.3 CC(CCCC(=O)[O-])OCF 7a_100000761597_100015361967 [0,2,0,0,0,0|0,0,1]=3 5028 B10R0.3 CC(CCN)COCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|2,0,0]=4 5029 B10R0.3 CC(CCN)COCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|1,0,1]=4 5030 B10R0.3 CC(CCO)NOCC(=O)O 269956a_100000106656_100009893172 [0,2,0,0,0,0|2,0,0]=4 5031 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 5033 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,2,0,0,0,0|2,0,0]=4 5034 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,2,0,0,0,0|2,0,0]=4 5035 B10R0.3 CC(F)COCC(=O)NCO 34a_100015925927_100000185155 [0,2,0,0,0,0|2,0,0]=4 5036 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,2,0,0,0,0|2,0,0]=4 5037 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|1,0,0]=3 5041 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.3 CC(O)CNCC(=O)NCO 2230a_100000210904_100000185155 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.3 CC(O)CNCC(=O)NCO 34a_100000210904_100000185155 [0,2,0,0,0,0|2,0,0]=4 5044 B10R0.3 CC(O)CSCC(=O)NCO 62a_100000185155_100011218427 [0,2,0,0,0,0|2,0,0]=4 5045 B10R0.3 CC(O)CSCC(=O)NCO 62a_100011218427_100000185155 [0,2,0,0,0,0|2,0,0]=4 5046 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|1,0,0]=3 5047 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|2,0,0]=4 5048 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,2,0,0,0,0|2,0,0]=4 5049 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,2,0,0,0,0|2,0,0]=4 5050 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,2,0,0,0,0|2,0,0]=4 5051 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,2,0,0,0,0|2,0,0]=4 5052 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,2,0,0,0,0|2,0,0]=4 5053 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,2,0,0,0,0|2,0,0]=4 5054 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|1,0,0]=3 5055 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|1,0,0]=3 5056 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|2,0,0]=4 5057 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|2,0,0]=4 5058 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,2,0,0,0,0|2,0,0]=4 5059 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,2,0,0,0,0|2,0,0]=4 5064 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 5065 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 5067 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,2,0,0,0,0|2,0,0]=4 5068 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,2,0,0,0,0|2,0,0]=4 5069 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,2,0,0,0,0|1,0,0]=3 5070 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|2,0,0]=4 5071 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,2,0,0,0,0|2,0,0]=4 5072 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,2,0,0,0,0|2,0,0]=4 5073 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,2,0,0,0,0|1,0,1]=4 5074 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,2,0,0,0,0|2,0,0]=4 5075 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,2,0,0,0,0|2,0,0]=4 5076 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,2,0,0,0,0|1,0,1]=4 5077 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,2,0,0,0,0|1,0,1]=4 5078 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,2,0,0,0,0|2,0,0]=4 5079 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,2,0,0,0,0|2,0,0]=4 5080 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|2,0,0]=4 5083 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,2,0,0,0,0|2,0,0]=4 5084 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,2,0,0,0,0|2,0,0]=4 5085 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,2,0,0,0,0|2,0,0]=4 5086 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,2,0,0,0,0|2,0,0]=4 5087 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|2,0,0]=4 5088 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|2,0,0]=4 5089 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,2,0,0,0,0|2,0,0]=4 5090 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,2,0,0,0,0|2,0,0]=4 5091 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|2,0,0]=4 5092 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,2,0,0,0,0|1,0,0]=3 5094 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 5095 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 5096 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 5097 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|2,0,0]=4 5098 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 5099 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 5100 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,2,0,0,0,0|2,0,0]=4 5101 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,2,0,0,0,0|2,0,0]=4 5102 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,2,0,0,0,0|2,0,0]=4 5103 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,2,0,0,0,0|2,0,0]=4 5104 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 5105 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,2,0,0,0,0|2,0,0]=4 5106 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,2,0,0,0,0|2,0,0]=4 5107 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 5108 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 5109 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 5110 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,2,0,0,0,0|2,0,0]=4 5111 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 5112 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,2,0,0,0,0|2,0,0]=4 5114 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 5115 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 5116 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 5117 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 5118 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,2,0,0,0,0|2,0,0]=4 5119 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,2,0,0,0,0|2,0,0]=4 5120 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|1,0,1]=4 5121 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|1,0,1]=4 5122 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|1,0,1]=4 5123 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 5124 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|1,0,0]=3 5125 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|1,0,0]=3 5126 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|1,0,0]=3 5127 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|1,0,0]=3 5128 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|1,0,0]=3 5129 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|1,0,0]=3 5130 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|1,0,0]=3 5131 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|1,0,0]=3 5132 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 5133 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,2,0,0,0,0|2,0,0]=4 5135 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|1,0,0]=3 5136 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|1,0,0]=3 5140 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|1,0,0]=3 5141 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,2,0,0,0,0|2,0,0]=4 5142 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,2,0,0,0,0|2,0,0]=4 5143 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,2,0,0,0,0|2,0,0]=4 5144 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,2,0,0,0,0|2,0,0]=4 5145 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,2,0,0,0,0|2,0,0]=4 5146 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,2,0,0,0,0|2,0,0]=4 5147 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,2,0,0,0,0|0,0,1]=3 5148 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 5149 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|1,0,1]=4 5150 B10R0.3 CN(C)CCCC(=O)C=CBr 1458a_100016273825_100000695564 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.3 CN(C)CCCC(=O)C=CCl 1458a_200016279998_100000695564 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.3 CN(C)CCCC(=O)C=CI 1458a_100016256311_100000695564 [0,2,0,0,0,0|2,0,0]=4 5153 B10R0.3 CN(C)CCCC(=O)CC#N 1458a_100051588842_100000695564 [0,2,0,0,0,0|2,0,0]=4 5154 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,2,0,0,0,0|1,0,0]=3 5155 B10R0.3 CN(C)CCNC(=O)CCO 240690a_100000210585_100011216618 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.3 CN(CC#N)CCCC(=O)O 269956a_100000719178_100011215382 [0,2,0,0,0,0|1,0,0]=3 5157 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [0,2,0,0,0,0|1,0,0]=3 5158 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,2,0,0,0,0|1,0,0]=3 5159 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,2,0,0,0,0|2,0,0]=4 5160 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,2,0,0,0,0|1,0,0]=3 5161 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,2,0,0,0,0|1,0,0]=3 5162 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|2,0,0]=4 5163 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,2,0,0,0,0|2,0,0]=4 5164 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,2,0,0,0,0|2,0,0]=4 5165 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,2,0,0,0,0|2,0,0]=4 5166 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,2,0,0,0,0|2,0,0]=4 5167 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,2,0,0,0,0|2,0,0]=4 5168 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,2,0,0,0,0|0,0,2]=4 5169 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|1,0,1]=4 5170 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|0,0,0]=2 5171 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|1,0,0]=3 5172 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,2,0,0,0,0|1,0,0]=3 5173 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,2,0,0,0,0|1,0,0]=3 5174 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,2,0,0,0,0|1,0,0]=3 5175 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 5176 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 5177 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 5178 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 5179 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 5180 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 5181 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 5182 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 5183 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,2,0,0,0,0|2,0,0]=4 5184 B10R0.3 COCC(C)NOCC(=O)O 269956a_100000106656_100000765312 [0,2,0,0,0,0|2,0,0]=4 5185 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,2,0,0,0,0|2,0,0]=4 5186 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.3 COCC(C)OCCC(=O)N 34a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 5188 B10R0.3 COCC(C)OCCC(=O)N 7a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 5189 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,2,0,0,0,0|2,0,0]=4 5190 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,2,0,0,0,0|2,0,0]=4 5191 B10R0.3 COCC(C)SCCC(=O)N 62a_100000744528_100000765312 [0,2,0,0,0,0|2,0,0]=4 5192 B10R0.3 COCC(C)SCCC(=O)N 62a_100000765312_100000744528 [0,2,0,0,0,0|2,0,0]=4 5193 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,2,0,0,0,0|2,0,0]=4 5194 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,2,0,0,0,0|1,0,0]=3 5195 B10R0.3 COC[C@@H](C)NCCC(=O)N 2230a_100000764878_100000744528 [0,2,0,0,0,0|2,0,0]=4 5196 B10R0.3 COC[C@@H](C)OCCC(=O)N 34a_100011934205_100000731001 [0,2,0,0,0,0|2,0,0]=4 5197 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|0,1,0]=3 5198 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|1,1,0]=4 5199 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,2,0,0,0,0|1,1,0]=4 5200 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,2,0,0,0,0|1,1,0]=4 5201 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,2,0,0,0,0|1,1,0]=4 5202 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,2,0,0,0,0|1,1,0]=4 5203 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,2,0,0,0,0|1,1,0]=4 5204 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,2,0,0,0,0|1,1,0]=4 5205 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,2,0,0,0,0|1,1,0]=4 5206 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,2,0,0,0,0|1,0,0]=3 5207 B10R0.3 C[C@@H](CC#N)NCCC(=O)N 2230a_100016994482_100000744528 [0,2,0,0,0,0|2,0,0]=4 5208 B10R0.3 C[C@@H](Cl)COCC(=O)NCO 34a_100016084084_100000185155 [0,2,0,0,0,0|2,0,0]=4 5209 B10R0.3 C[C@@H](N)COCC(=O)NCO 34a_100000737577_100000185155 [0,2,0,0,0,0|2,0,0]=4 5210 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100000185155_100009817552 [0,2,0,0,0,0|2,0,0]=4 5211 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100009817552_100000185155 [0,2,0,0,0,0|2,0,0]=4 5212 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,2,0,0,0,0|2,0,0]=4 5213 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.3 N#CC[C@H](O)CNCC(=O)O 269956a_100016091260_100000001066 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.44 C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000185746 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.44 C=CC(=O)NC(C)CC(C)C 240690a_100000692259_200121576911 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [0,2,0,0,0,0|1,0,0]=3 5218 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [0,2,0,0,0,0|1,0,0]=3 5219 B10R0.44 CC(C)NC(=O)CC(=O)CO 1458a_100000210174_100000183996 [0,2,0,0,0,0|1,0,1]=4 5220 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,2,0,0,0,0|1,0,1]=4 5221 B10R0.44 CC(CN(C)C)NC(=O)CO 240690a_100016992788_100000210174 [0,2,0,0,0,0|2,0,0]=4 5222 B10R0.44 CC(CN(C)C)NC(=O)CO 527a_100016992788_100000210174 [0,2,0,0,0,0|2,0,0]=4 5223 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|1,0,1]=4 5224 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [0,2,0,0,0,0|2,0,0]=4 5225 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [0,2,0,0,0,0|2,0,0]=4 5228 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [0,2,0,0,0,0|2,0,0]=4 5229 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,2,0,0,0,0|1,0,1]=4 5230 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,2,0,0,0,0|1,0,1]=4 5231 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,2,0,0,0,0|0,0,2]=4 5232 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 5233 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,2,0,0,0,0|2,0,0]=4 5236 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000739694_100000748023 [0,2,0,0,0,0|2,0,0]=4 5237 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000753921_100000747473 [0,2,0,0,0,0|2,0,0]=4 5238 B10R0.44 CCC(C)CN(C)CC(=O)N 269982a_100000753921_100000187820 [0,2,0,0,0,0|2,0,0]=4 5239 B10R0.44 CCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243153 [0,2,0,0,0,0|2,0,0]=4 5240 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,2,0,0,0,0|1,0,0]=3 5241 B10R0.44 CCC(C)CN(C)CC(=O)[O-] 269982a_100000753921_100020667443 [0,2,0,0,0,0|1,0,1]=4 5242 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,2,0,0,0,0|1,0,1]=4 5244 B10R0.44 CC[C@H](C)CN(C)CC(=O)N 2230a_100000739694_100009816398 [0,2,0,0,0,0|2,0,0]=4 5245 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,2,0,0,0,0|1,0,0]=3 5246 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,2,0,0,0,0|2,0,0]=4 5247 B10R0.44 CN(CC(=O)O)C[C@@H](O)CF 269956a_100000746989_100015614560 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,2,0,0,0,0|2,0,0]=4 5249 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,2,0,0,0,0|1,0,1]=4 5250 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000189611_100000210760 [0,2,0,0,0,0|2,0,0]=4 5251 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183359 [0,2,0,0,0,0|2,0,0]=4 5252 B10R0.44 CNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183359 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.44 CNC(=O)CN(C)CC(C)C 270004a_100000189611_100000210432 [0,2,0,0,0,0|2,0,0]=4 5254 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [0,2,0,0,0,0|2,0,0]=4 5257 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [0,2,0,0,0,0|2,0,0]=4 5258 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [0,2,0,0,0,0|2,0,0]=4 5259 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|0,0,1]=3 5260 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|0,0,1]=3 5261 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,2,0,0,0,0|1,0,1]=4 5262 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,2,0,0,0,0|1,0,1]=4 5263 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,2,0,0,0,0|1,0,1]=4 5264 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,2,0,0,0,0|1,0,1]=4 5265 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,2,0,0,0,0|1,0,1]=4 5266 B10R0.44 COC(=O)CC(C)CC(=O)C 1458a_100000732146_200000210301 [0,2,0,0,0,0|1,0,1]=4 5267 B10R0.44 COC(=O)CC(C)CC(=O)[13CH3] 1458a_100000732146_200025704644 [0,2,0,0,0,0|1,0,1]=4 5268 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,2,0,0,0,0|1,0,0]=3 5269 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,2,0,0,0,0|1,0,0]=3 5270 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,2,0,0,0,0|1,0,0]=3 5271 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,2,0,0,0,0|1,0,0]=3 5272 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,2,0,0,0,0|1,0,0]=3 5273 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,2,0,0,0,0|1,0,0]=3 5274 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,2,0,0,0,0|1,0,0]=3 5275 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,2,0,0,0,0|1,0,0]=3 5276 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,2,0,0,0,0|1,0,0]=3 5277 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000198492_100011218427 [0,2,0,0,0,0|2,0,0]=4 5278 B10R0.44 COC(=O)CN(C)CC(C)O 2230a_100000227577_100000747449 [0,2,0,0,0,0|2,0,0]=4 5279 B10R0.44 COC(=O)CN(C)CC(C)O 269982a_100000227577_100000747449 [0,2,0,0,0,0|2,0,0]=4 5280 B10R0.44 COC(=O)CN(C)C[C@@H](C)O 2230a_100000198492_100009817552 [0,2,0,0,0,0|2,0,0]=4 5281 B10R0.44 C[C@@H](CO)CC(=O)CC(=O)N 1458a_100134613110_100000059175 [0,2,0,0,0,0|1,0,1]=4 5282 B10R0.44 C[C@@H](CO)CN(C)CC(=O)N 2230a_100000739694_100000059175 [0,2,0,0,0,0|2,0,0]=4 5283 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,2,0,0,0,0|1,0,0]=3 5284 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,2,0,0,0,0|1,0,0]=3 5285 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,2,0,0,0,0|1,0,1]=4 5286 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,2,0,0,0,0|1,0,1]=4 5287 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,2,0,0,0,0|1,0,1]=4 5288 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,2,0,0,0,0|1,0,1]=4 5289 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,2,0,0,0,0|1,0,0]=3 5290 B10R0.57 C=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000185746 [0,2,0,0,0,0|2,0,0]=4 5291 B10R0.57 C=CC(=O)N(C)CCC(C)C 240690a_100000742789_200121576911 [0,2,0,0,0,0|2,0,0]=4 5292 B10R0.57 CC(=O)CCN(C)C(C)CO 269982a_100000693034_100000053229 [0,2,0,0,0,0|2,0,0]=4 5293 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|0,0,0]=2 5294 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,2,0,0,0,0|1,0,0]=3 5295 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,2,0,0,0,0|1,0,0]=3 5296 B10R0.57 CC(C)COC(C)C(=O)NN 34a_100000725659_100000210624 [0,2,0,0,0,0|2,0,0]=4 5297 B10R0.57 CC(C)OCC(N)C(=O)NN 34a_100016989258_100000210206 [0,2,0,0,0,0|2,0,0]=4 5298 B10R0.57 CC(CO)N(C)CCC(=O)N 2230a_100000693034_100000744528 [0,2,0,0,0,0|2,0,0]=4 5299 B10R0.57 CC(CO)N(C)CCC(=O)N 2230a_100000730477_100012180447 [0,2,0,0,0,0|2,0,0]=4 5300 B10R0.57 CC(CO)N(C)CCC(=O)N 269982a_100000693034_100000744528 [0,2,0,0,0,0|2,0,0]=4 5301 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|1,0,0]=3 5302 B10R0.57 CCC(=O)C(C)NCC(C)C 2230a_100000210953_100000742827 [0,2,0,0,0,0|2,0,0]=4 5303 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000210624_100000742827 [0,2,0,0,0,0|2,0,0]=4 5304 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000742827_100000210760 [0,2,0,0,0,0|2,0,0]=4 5305 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 5306 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 5307 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 5308 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 5309 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,2,0,0,0,0|1,0,1]=4 5310 B10R0.57 CCC(C)C(C)OCC(=O)N 7a_100011215189_100000187820 [0,2,0,0,0,0|2,0,0]=4 5311 B10R0.57 CCC(C)N(C)CCC(=O)C 269982a_100000741768_100000053229 [0,2,0,0,0,0|2,0,0]=4 5312 B10R0.57 CCC(C)N(C)CCC(=O)N 2230a_100000730477_100000758301 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.57 CCC(C)N(C)CCC(=O)N 2230a_100000741768_100000744528 [0,2,0,0,0,0|2,0,0]=4 5314 B10R0.57 CCC(C)N(C)CCC(=O)N 269982a_100000741768_100000744528 [0,2,0,0,0,0|2,0,0]=4 5315 B10R0.57 CN(C)CCN(C)C(=O)CO 240690a_100000225618_100000210174 [0,2,0,0,0,0|2,0,0]=4 5316 B10R0.57 CN(C)CCN(C)C(=O)CO 527a_100000225618_100000210174 [0,2,0,0,0,0|2,0,0]=4 5317 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|1,0,1]=4 5318 B10R0.57 CNC(=O)C(C)CNC(C)C 2230a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 5319 B10R0.57 CNC(=O)C(C)CNC(C)C 34a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 5320 B10R0.57 CNC(=O)C(C)NCC(C)C 2230a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 5321 B10R0.57 CNC(=O)C(C)NCC(C)C 34a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 5322 B10R0.57 CNC(=O)C(C)OCC(C)C 34a_100000210257_100000731044 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000209862_100000210760 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000210624_100000731044 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.57 CNC(=O)C(F)NCC(C)C 2230a_100000210953_100009813575 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.57 CNC(=O)C(F)NCC(C)C 34a_100000210953_100009813575 [0,2,0,0,0,0|2,0,0]=4 5327 B10R0.57 CNC(=O)C(F)OCC(C)C 34a_100000210257_100009813575 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100000210624_100009813575 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100009813575_100000210760 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.57 CNC(=O)N(C)CCC(C)C 2708a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.57 CNC(=O)N(C)CCC(C)C 273464a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 5332 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 2230a_100000684985_100000210760 [0,2,0,0,0,0|2,0,0]=4 5333 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 34a_100000684985_100000210624 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.57 CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_200000210301 [0,2,0,0,0,0|1,0,1]=4 5335 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,2,0,0,0,0|1,0,1]=4 5336 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,2,0,0,0,0|1,0,1]=4 5337 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,2,0,0,0,0|1,0,1]=4 5338 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,2,0,0,0,0|1,0,1]=4 5339 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,2,0,0,0,0|1,0,1]=4 5340 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,2,0,0,0,0|1,0,1]=4 5341 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,2,0,0,0,0|1,0,1]=4 5342 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,2,0,0,0,0|1,0,1]=4 5343 B10R0.57 COC(=O)C(C)CCC(=O)C 1458a_100000070787_100000034942 [0,2,0,0,0,0|1,0,1]=4 5344 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,2,0,0,0,0|1,0,0]=3 5345 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,2,0,0,0,0|1,0,0]=3 5346 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,2,0,0,0,0|1,0,0]=3 5347 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,2,0,0,0,0|1,0,0]=3 5348 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,2,0,0,0,0|1,0,0]=3 5349 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,2,0,0,0,0|1,0,0]=3 5350 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,2,0,0,0,0|1,0,0]=3 5351 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,2,0,0,0,0|1,0,0]=3 5352 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,2,0,0,0,0|1,0,0]=3 5353 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,2,0,0,0,0|1,0,0]=3 5354 B10R0.57 COC(=O)C(C)NCC(C)O 2230a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 5355 B10R0.57 COC(=O)C(C)NCC(C)O 34a_100000210904_100000211248 [0,2,0,0,0,0|2,0,0]=4 5356 B10R0.57 COC(=O)C(C)OCC(C)Br 34a_100012180447_100000211248 [0,2,0,0,0,0|2,0,0]=4 5357 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,2,0,0,0,0|1,0,0]=3 5358 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,2,0,0,0,0|1,0,0]=3 5359 B10R0.57 COC(=O)C(C)OCC(C)F 34a_100015925927_100000211248 [0,2,0,0,0,0|2,0,0]=4 5360 B10R0.57 COC(=O)C(C)OCC(C)O 34a_100011215400_100011218427 [0,2,0,0,0,0|2,0,0]=4 5361 B10R0.57 COC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000211248 [0,2,0,0,0,0|2,0,0]=4 5362 B10R0.57 COC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000211248 [0,2,0,0,0,0|2,0,0]=4 5363 B10R0.57 COC(=O)C(C)OC[C@@H](C)O 34a_100011215400_100009817552 [0,2,0,0,0,0|2,0,0]=4 5364 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,2,0,0,0,0|1,0,0]=3 5365 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,2,0,0,0,0|1,0,0]=3 5366 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100000211248_100011218427 [0,2,0,0,0,0|2,0,0]=4 5367 B10R0.57 COC(=O)C(C)SCC(C)O 62a_100011218427_100000211248 [0,2,0,0,0,0|2,0,0]=4 5368 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100000211248_100009817552 [0,2,0,0,0,0|2,0,0]=4 5369 B10R0.57 COC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000211248 [0,2,0,0,0,0|2,0,0]=4 5370 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,2,0,0,0,0|1,0,0]=3 5371 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,0,0,0,0|1,0,0]=3 5372 B10R0.57 C[C@H](N[13CH3])C(=O)NCC(=O)O 269956a_200011416764_200025704644 [0,2,0,0,0,0|1,0,1]=4 5373 B10R0.59 C#CC(=O)CCCN(C)CC 1458a_100000211873_100015186262 [0,2,0,0,0,0|2,0,0]=4 5374 B10R0.59 C#CC(C)NCCC(=O)OC 2230a_100000707721_100000204255 [0,2,0,0,0,0|1,0,1]=4 5375 B10R0.59 C#CC(C)NCCC(=O)OC 34a_100000707721_100000742370 [0,2,0,0,0,0|1,0,1]=4 5376 B10R0.59 C#CC(C)SCCC(=O)OC 62a_200000035995_100000204255 [0,2,0,0,0,0|1,0,1]=4 5377 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 34a_100009815206_100000742370 [0,2,0,0,0,0|1,0,1]=4 5378 B10R0.59 C#C[C@@H](C)OCCC(=O)OC 7a_100009815206_100000204255 [0,2,0,0,0,0|1,0,1]=4 5379 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,2,0,0,0,0|2,0,0]=4 5380 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,2,0,0,0,0|2,0,0]=4 5381 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,2,0,0,0,0|2,0,0]=4 5382 B10R0.59 C=CC(=O)NCCC(C)CO 240690a_106354213184_200121576911 [0,2,0,0,0,0|2,0,0]=4 5383 B10R0.59 C=CC(C)COCC(=O)OC 34a_100011215527_100000747449 [0,2,0,0,0,0|1,0,1]=4 5384 B10R0.59 C=CC(C)COCC(=O)OC 7a_100011215527_100000747449 [0,2,0,0,0,0|1,0,1]=4 5385 B10R0.59 C=CC(C)OCCC(=O)OC 34a_100000695699_100000742370 [0,2,0,0,0,0|1,0,1]=4 5386 B10R0.59 C=CC(C)SCCC(=O)OC 62a_100011215867_100000204255 [0,2,0,0,0,0|1,0,1]=4 5387 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,2,0,0,0,0|1,0,0]=3 5388 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,2,0,0,0,0|1,0,0]=3 5389 B10R0.59 CC(CO)OCCC(=NO)N 34a_100000749954_100012180447 [0,2,0,0,0,0|2,0,0]=4 5390 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|1,0,1]=4 5391 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|1,0,1]=4 5392 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|2,0,0]=4 5393 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|2,0,0]=4 5394 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|2,0,0]=4 5395 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|2,0,0]=4 5396 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,2,0,0,0,0|2,0,0]=4 5397 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|2,0,0]=4 5398 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|2,0,0]=4 5399 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|2,0,0]=4 5400 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|2,0,0]=4 5401 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,2,0,0,0,0|2,0,0]=4 5402 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,2,0,0,0,0|2,0,0]=4 5403 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 5404 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 5405 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 5406 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 5407 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,2,0,0,0,0|2,0,0]=4 5408 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,2,0,0,0,0|2,0,0]=4 5409 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 5410 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 5411 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|2,0,0]=4 5412 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|2,0,0]=4 5414 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|2,0,0]=4 5415 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|2,0,0]=4 5416 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|2,0,0]=4 5417 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|2,0,0]=4 5418 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|2,0,0]=4 5419 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|2,0,0]=4 5420 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|1,0,0]=3 5421 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|2,0,0]=4 5422 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|2,0,0]=4 5423 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|2,0,0]=4 5424 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|1,0,0]=3 5425 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|1,0,0]=3 5426 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,2,0,0,0,0|2,0,0]=4 5427 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,2,0,0,0,0|2,0,0]=4 5428 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,2,0,0,0,0|2,0,0]=4 5429 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|1,0,0]=3 5430 B10R0.59 CCC(C)OCCC(=NO)N 34a_100000749954_100011215416 [0,2,0,0,0,0|2,0,0]=4 5431 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,2,0,0,0,0|2,0,0]=4 5432 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,2,0,0,0,0|2,0,0]=4 5433 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|1,0,0]=3 5434 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,2,0,0,0,0|2,0,0]=4 5435 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,2,0,0,0,0|2,0,0]=4 5436 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|1,0,0]=3 5437 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|1,0,0]=3 5438 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|2,0,0]=4 5439 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|2,0,0]=4 5440 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|2,0,0]=4 5441 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|2,0,0]=4 5442 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|1,0,0]=3 5443 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,2,0,0,0,0|2,0,0]=4 5444 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,2,0,0,0,0|2,0,0]=4 5445 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 5446 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 5447 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|1,0,0]=3 5448 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|2,0,0]=4 5449 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|2,0,0]=4 5450 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|2,0,0]=4 5451 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|1,0,0]=3 5452 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|2,0,0]=4 5453 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|2,0,0]=4 5454 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|1,0,0]=3 5455 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|1,0,0]=3 5456 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,2,0,0,0,0|1,0,1]=4 5457 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,2,0,0,0,0|1,0,1]=4 5458 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 5459 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 5460 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 5461 B10R0.59 CNC(=O)CCNC(C)CO 2230a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.59 CNC(=O)CCNC(C)CO 34a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 5463 B10R0.59 CNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737683 [0,2,0,0,0,0|2,0,0]=4 5464 B10R0.59 CNC(=O)CCOC(C)CF 34a_100016041109_100012179268 [0,2,0,0,0,0|2,0,0]=4 5465 B10R0.59 CNC(=O)CCOC(C)CF 7a_100016041109_100000737683 [0,2,0,0,0,0|2,0,0]=4 5466 B10R0.59 CNC(=O)CCOC(C)CN 34a_100000210904_100012179268 [0,2,0,0,0,0|2,0,0]=4 5467 B10R0.59 CNC(=O)CCOC(C)CO 34a_100000754576_100012180447 [0,2,0,0,0,0|2,0,0]=4 5468 B10R0.59 CNC(=O)CCSC(C)CO 62a_100012180447_100000737683 [0,2,0,0,0,0|2,0,0]=4 5469 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,2,0,0,0,0|2,0,0]=4 5470 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100000737683_100016084084 [0,2,0,0,0,0|2,0,0]=4 5472 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737683 [0,2,0,0,0,0|2,0,0]=4 5473 B10R0.59 CNC(=O)CNCC(C)CO 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 5474 B10R0.59 CNC(=O)CNC[C@@H](C)CO 2230a_100000693194_100000059175 [0,2,0,0,0,0|2,0,0]=4 5475 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,2,0,0,0,0|2,0,0]=4 5476 B10R0.59 CNC(=O)COCC(C)CN 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 5477 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,2,0,0,0,0|2,0,0]=4 5478 B10R0.59 CNC(=O)COC[C@@H](C)CO 34a_100000750040_100000059175 [0,2,0,0,0,0|2,0,0]=4 5479 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183359 [0,2,0,0,0,0|2,0,0]=4 5480 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000183359_100000059175 [0,2,0,0,0,0|2,0,0]=4 5481 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 5482 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 5483 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 5484 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 5485 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [0,2,0,0,0,0|2,0,0]=4 5486 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,2,0,0,0,0|1,0,1]=4 5487 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|1,0,1]=4 5488 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,2,0,0,0,0|1,0,0]=3 5489 B10R0.59 COC(=O)CCNC(C)C#N 2230a_100000737613_100000204255 [0,2,0,0,0,0|1,0,1]=4 5490 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,2,0,0,0,0|1,0,0]=3 5491 B10R0.59 COC(=O)CCOC(C)C#N 34a_100011218135_100000742370 [0,2,0,0,0,0|1,0,1]=4 5492 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,2,0,0,0,0|1,0,0]=3 5493 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,2,0,0,0,0|1,0,0]=3 5494 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,0]=3 5495 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000204255_100000703298 [0,2,0,0,0,0|1,0,1]=4 5496 B10R0.59 COC(=O)CCSC(C)C#N 62a_100000703298_100000204255 [0,2,0,0,0,0|1,0,1]=4 5497 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,2,0,0,0,0|1,0,0]=3 5498 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,2,0,0,0,0|1,0,0]=3 5499 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,2,0,0,0,0|1,0,0]=3 5500 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,2,0,0,0,0|1,0,0]=3 5501 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,2,0,0,0,0|1,0,0]=3 5502 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|1,0,0]=3 5503 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|1,0,0]=3 5504 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 5505 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|2,0,0]=4 5506 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|1,0,0]=3 5507 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|1,0,0]=3 5508 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,2,0,0,0,0|2,0,0]=4 5509 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 5510 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,2,0,0,0,0|2,0,0]=4 5511 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,2,0,0,0,0|2,0,0]=4 5512 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|1,0,0]=3 5513 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|1,0,0]=3 5514 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,2,0,0,0,0|2,0,0]=4 5515 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,2,0,0,0,0|2,0,0]=4 5516 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,2,0,0,0,0|2,0,0]=4 5517 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,2,0,0,0,0|2,0,0]=4 5518 B10R0.59 COC(=O)OCSC(C)CO 62a_100012180447_100000139417 [0,2,0,0,0,0|2,0,0]=4 5519 B10R0.59 COC(=O)OCSC(C)OC 62a_100009879195_100000139417 [0,2,0,0,0,0|2,0,0]=4 5520 B10R0.59 COC(=O)OCS[C@H](C)CO 62a_100016084084_100000139417 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.60 C#CC(=O)CCC[N+](C)(C)C 1458a_100000211873_100016990835 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.60 C#CC(=O)CCC[Si](C)(C)C 1458a_100000211873_100011219597 [0,2,0,0,0,0|1,1,0]=4 5523 B10R0.60 C=CC(=O)CCC[N+](C)(C)C 1458a_100000185746_100016990835 [0,2,0,0,0,0|2,0,0]=4 5524 B10R0.60 C=CC(=O)CCC[Si](C)(C)C 1458a_100000185746_100011219597 [0,2,0,0,0,0|1,1,0]=4 5525 B10R0.60 C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000185746 [0,2,0,0,0,0|2,0,0]=4 5526 B10R0.60 C=CC(=O)NCCC(C)(C)C 240690a_100000738805_200121576911 [0,2,0,0,0,0|2,0,0]=4 5527 B10R0.60 C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000185746 [0,2,0,0,0,0|2,0,0]=4 5528 B10R0.60 C=CC(=O)NCCC(C)(C)F 240690a_100016253952_200121576911 [0,2,0,0,0,0|2,0,0]=4 5529 B10R0.60 C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000185746 [0,2,0,0,0,0|2,0,0]=4 5530 B10R0.60 CC(C)(C)CCNC(=O)CO 240690a_100000738805_100000210174 [0,2,0,0,0,0|1,0,0]=3 5531 B10R0.60 CC(C)(C)CCNC(=O)CO 527a_100000738805_100000210174 [0,2,0,0,0,0|1,0,0]=3 5532 B10R0.60 CC(C)(C)OCCC(=NO)N 34a_100000749954_100000210625 [0,2,0,0,0,0|2,0,0]=4 5533 B10R0.60 CC(C)(F)CCNC(=O)CO 240690a_100016253952_100000210174 [0,2,0,0,0,0|1,0,0]=3 5534 B10R0.60 CC(C)(F)CCNC(=O)CO 527a_100016253952_100000210174 [0,2,0,0,0,0|1,0,0]=3 5535 B10R0.60 CC(C)(O)CCNC(=O)CO 527a_100000707701_100000210174 [0,2,0,0,0,0|1,0,0]=3 5536 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210202 [0,2,0,0,0,0|2,0,0]=4 5537 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000210414_100016990835 [0,2,0,0,0,0|2,0,0]=4 5538 B10R0.60 CCC(=O)CCC[Si](C)(C)C 1458a_100000210414_100011219597 [0,2,0,0,0,0|1,1,0]=4 5539 B10R0.60 CCC(=O)COCC(C)(C)C 34a_100000725409_100011219605 [0,2,0,0,0,0|2,0,0]=4 5540 B10R0.60 CCC(=O)COCC(C)(C)F 34a_100000725409_100011997219 [0,2,0,0,0,0|2,0,0]=4 5541 B10R0.60 CCC(=O)COCC(C)(C)O 34a_100000725409_100000764493 [0,2,0,0,0,0|2,0,0]=4 5542 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100000747405_100011219605 [0,2,0,0,0,0|2,0,0]=4 5543 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100011219605_100000747405 [0,2,0,0,0,0|2,0,0]=4 5544 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100000747405_100011997219 [0,2,0,0,0,0|2,0,0]=4 5545 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100011997219_100000747405 [0,2,0,0,0,0|2,0,0]=4 5546 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000747405_100000764493 [0,2,0,0,0,0|2,0,0]=4 5547 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000764493_100000747405 [0,2,0,0,0,0|2,0,0]=4 5548 B10R0.60 CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210414 [0,2,0,0,0,0|2,0,0]=4 5549 B10R0.60 CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210414 [0,2,0,0,0,0|2,0,0]=4 5550 B10R0.60 CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210414 [0,2,0,0,0,0|2,0,0]=4 5551 B10R0.60 CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210414 [0,2,0,0,0,0|2,0,0]=4 5552 B10R0.60 CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210414 [0,2,0,0,0,0|2,0,0]=4 5553 B10R0.60 CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210414 [0,2,0,0,0,0|2,0,0]=4 5554 B10R0.60 CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210414 [0,2,0,0,0,0|2,0,0]=4 5555 B10R0.60 CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210414 [0,2,0,0,0,0|2,0,0]=4 5556 B10R0.60 CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210414 [0,2,0,0,0,0|2,0,0]=4 5557 B10R0.60 CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210414 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.60 CNC(=O)CCC[N+](C)(C)C 11a_106832991635_100000085584 [0,2,0,0,0,0|2,0,0]=4 5559 B10R0.60 CNC(=O)CCC[N+](C)(C)C 1626a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 5560 B10R0.60 CNC(=O)CCC[N+](C)(C)C 240690a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 5561 B10R0.60 CNC(=O)CCC[N+](C)(C)C 527a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 5562 B10R0.60 CNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737683 [0,2,0,0,0,0|2,0,0]=4 5563 B10R0.60 CNC(=O)CCNC(C)(C)C 34a_100000738227_100000210625 [0,2,0,0,0,0|2,0,0]=4 5564 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100000754576_100000210625 [0,2,0,0,0,0|2,0,0]=4 5565 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100015890283_100012179268 [0,2,0,0,0,0|2,0,0]=4 5566 B10R0.60 CNC(=O)CCOC(C)(C)C 7a_100015890283_100000737683 [0,2,0,0,0,0|2,0,0]=4 5567 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000211941_100000737683 [0,2,0,0,0,0|2,0,0]=4 5568 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000737683_100000211941 [0,2,0,0,0,0|2,0,0]=4 5569 B10R0.60 CNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183359 [0,2,0,0,0,0|2,0,0]=4 5570 B10R0.60 CNC(=O)CNCC(C)(C)C 270004a_100000693194_100011204126 [0,2,0,0,0,0|2,0,0]=4 5571 B10R0.60 CNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183359 [0,2,0,0,0,0|2,0,0]=4 5572 B10R0.60 CNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183359 [0,2,0,0,0,0|2,0,0]=4 5573 B10R0.60 CNC(=O)COCC(C)(C)C 34a_100000750040_100011219605 [0,2,0,0,0,0|2,0,0]=4 5574 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000716592_100000183359 [0,2,0,0,0,0|2,0,0]=4 5575 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000750040_100011997219 [0,2,0,0,0,0|2,0,0]=4 5576 B10R0.60 CNC(=O)COCC(C)(C)O 34a_100000750040_100000764493 [0,2,0,0,0,0|2,0,0]=4 5577 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100000183359_100011219605 [0,2,0,0,0,0|2,0,0]=4 5578 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100011219605_100000183359 [0,2,0,0,0,0|2,0,0]=4 5579 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100000183359_100011997219 [0,2,0,0,0,0|2,0,0]=4 5580 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100011997219_100000183359 [0,2,0,0,0,0|2,0,0]=4 5581 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000183359_100000764493 [0,2,0,0,0,0|2,0,0]=4 5582 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000764493_100000183359 [0,2,0,0,0,0|2,0,0]=4 5583 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100000738805_106832991635 [0,2,0,0,0,0|2,0,0]=4 5584 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100102657272_100000738805 [0,2,0,0,0,0|2,0,0]=4 5585 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100000738805_100102657272 [0,2,0,0,0,0|2,0,0]=4 5586 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100102657272_100000738805 [0,2,0,0,0,0|2,0,0]=4 5587 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_100000738805_100102657272 [0,2,0,0,0,0|2,0,0]=4 5588 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_106832991638_100000738805 [0,2,0,0,0,0|2,0,0]=4 5589 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100016253952_106832991635 [0,2,0,0,0,0|2,0,0]=4 5590 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100102657272_100016253952 [0,2,0,0,0,0|2,0,0]=4 5591 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100016253952_100102657272 [0,2,0,0,0,0|2,0,0]=4 5592 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100102657272_100016253952 [0,2,0,0,0,0|2,0,0]=4 5593 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_100016253952_100102657272 [0,2,0,0,0,0|2,0,0]=4 5594 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_106832991638_100016253952 [0,2,0,0,0,0|2,0,0]=4 5595 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100000707701_106832991635 [0,2,0,0,0,0|2,0,0]=4 5596 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100102657272_100000707701 [0,2,0,0,0,0|2,0,0]=4 5597 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100000707701_100102657272 [0,2,0,0,0,0|2,0,0]=4 5598 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100102657272_100000707701 [0,2,0,0,0,0|2,0,0]=4 5599 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_100000707701_100102657272 [0,2,0,0,0,0|2,0,0]=4 5600 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_106832991638_100000707701 [0,2,0,0,0,0|2,0,0]=4 5601 B10R0.60 COC(=O)CCNC(C)(C)C 2230a_100000715429_100000204255 [0,2,0,0,0,0|1,0,0]=3 5602 B10R0.60 COC(=O)CCOC(C)(C)C 34a_100015890283_100000742370 [0,2,0,0,0,0|1,0,0]=3 5603 B10R0.60 COC(=O)CCOC(C)(C)C 7a_100015890283_100000204255 [0,2,0,0,0,0|1,0,0]=3 5604 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000204255_100000211941 [0,2,0,0,0,0|1,0,0]=3 5605 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000211941_100000204255 [0,2,0,0,0,0|1,0,0]=3 5606 B10R0.60 COC(=O)CNCC(C)(C)C 2230a_100000743828_100000747449 [0,2,0,0,0,0|1,0,0]=3 5607 B10R0.60 COC(=O)CNCC(C)(C)F 2230a_100020643315_100000747449 [0,2,0,0,0,0|1,0,0]=3 5608 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,2,0,0,0,0|1,0,0]=3 5609 B10R0.60 COC(=O)COCC(C)(C)F 34a_100000716592_100000747449 [0,2,0,0,0,0|1,0,0]=3 5610 B10R0.60 COC(=O)COCC(C)(F)F 34a_100000068830_100000747449 [0,2,0,0,0,0|2,0,0]=4 5611 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100000747449_100011219605 [0,2,0,0,0,0|1,0,0]=3 5612 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100011219605_100000747449 [0,2,0,0,0,0|1,0,0]=3 5613 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100000747449_100011997219 [0,2,0,0,0,0|1,0,0]=3 5614 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100011997219_100000747449 [0,2,0,0,0,0|1,0,0]=3 5615 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,2,0,0,0,0|1,0,0]=3 5616 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,2,0,0,0,0|1,0,0]=3 5617 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_100000747449_200000036245 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.60 COC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747449 [0,2,0,0,0,0|2,0,0]=4 5619 B10R0.60 COC(=O)CSC[Si](C)(C)C 62a_100000037933_100000747449 [0,2,0,0,0,0|1,1,0]=4 5620 B10R0.60 COC(=O)CSC[Si](C)(C)C 62a_100000747449_100000037933 [0,2,0,0,0,0|1,1,0]=4 5621 B10R0.60 COC(=O)OCSC(C)(C)C 62a_100000211941_100000139417 [0,2,0,0,0,0|2,0,0]=4 5622 B10R0.60 CS(=O)(=O)CCCC(=O)CO 1458a_100000210174_100000754308 [0,2,0,0,0,0|2,0,0]=4 5623 B10R0.60 C[N+](C)(C)CCCC(=O)CF 1458a_100000085584_100015361967 [0,2,0,0,0,0|2,0,0]=4 5624 B10R0.60 C[N+](C)(C)CCCC(=O)CO 1458a_100000210174_100016990835 [0,2,0,0,0,0|1,0,0]=3 5625 B10R0.60 C[N+](C)(C)CCNC(=O)CO 240690a_100000106457_100000210174 [0,2,0,0,0,0|2,0,0]=4 5626 B10R0.60 C[N+](C)(C)CCNC(=O)CO 527a_100000106457_100000210174 [0,2,0,0,0,0|2,0,0]=4 5627 B10R0.60 C[Si](C)(C)CCCC(=O)CO 1458a_100000210174_100011219597 [0,2,0,0,0,0|0,1,0]=3 5628 B10R0.60 C[Si](C)(C)OCCC(=O)CO 1458a_100000210174_200000032530 [0,2,0,0,0,0|1,1,0]=4 5629 B10R0.60 O=C(CO)CCCC(F)(F)F 1458a_100000210174_100011216173 [0,2,0,0,0,0|2,0,0]=4 5630 B10R0.65 C#CC(C)(C)NCCC(=O)N 34a_100000054563_100000731001 [0,2,0,0,0,0|2,0,0]=4 5631 B10R0.65 C#CC(C)(C)NOCC(=O)O 269956a_100000106656_100000038118 [0,2,0,0,0,0|2,0,0]=4 5632 B10R0.65 C#CC(C)(C)OCCC(=O)C 34a_100000759926_100000038118 [0,2,0,0,0,0|2,0,0]=4 5633 B10R0.65 C#CC(C)(C)OCCC(=O)C 7a_100000189450_100000053229 [0,2,0,0,0,0|2,0,0]=4 5634 B10R0.65 C#CC(C)(C)OCCC(=O)N 34a_100000189450_100000731001 [0,2,0,0,0,0|2,0,0]=4 5635 B10R0.65 C#CC(C)(C)OCCC(=O)N 34a_100000757172_100000038118 [0,2,0,0,0,0|2,0,0]=4 5636 B10R0.65 C#CC(C)(C)OCCC(=O)N 7a_100000189450_100000744528 [0,2,0,0,0,0|2,0,0]=4 5637 B10R0.65 C#CC(C)(C)SCCC(=O)C 62a_100000038118_100000053229 [0,2,0,0,0,0|2,0,0]=4 5638 B10R0.65 C#CC(C)(C)SCCC(=O)C 62a_100000053229_100000038118 [0,2,0,0,0,0|2,0,0]=4 5639 B10R0.65 C#CC(C)(C)SCCC(=O)N 62a_100000038118_100000744528 [0,2,0,0,0,0|2,0,0]=4 5640 B10R0.65 C#CC(C)(C)SCCC(=O)N 62a_100000744528_100000038118 [0,2,0,0,0,0|2,0,0]=4 5641 B10R0.65 C=CC(C)(C)OCCC(=O)C 7a_100011215311_100000053229 [0,2,0,0,0,0|2,0,0]=4 5642 B10R0.65 C=CC(C)(C)OCCC(=O)N 34a_100011215311_100000731001 [0,2,0,0,0,0|2,0,0]=4 5643 B10R0.65 C=CC(C)(C)OCCC(=O)N 7a_100011215311_100000744528 [0,2,0,0,0,0|2,0,0]=4 5644 B10R0.65 C=C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000038793 [0,2,0,0,0,0|1,1,0]=4 5645 B10R0.65 CC(=O)CCCC(C)(C)C#N 1458a_100000070787_100000759902 [0,2,0,0,0,0|1,0,0]=3 5646 B10R0.65 CC(=O)CCOC(C)(C)C#N 34a_100000759926_100011162410 [0,2,0,0,0,0|2,0,0]=4 5647 B10R0.65 CC(=O)CCOC(C)(C)C#N 7a_100000759926_100011162410 [0,2,0,0,0,0|2,0,0]=4 5648 B10R0.65 CC(=O)CCOC(C)(C)CCl 7a_100000764493_100000053229 [0,2,0,0,0,0|2,0,0]=4 5649 B10R0.65 CC(=O)CCSC(C)(C)C#N 62a_100000053229_100011162410 [0,2,0,0,0,0|2,0,0]=4 5650 B10R0.65 CC(=O)CCSC(C)(C)C#N 62a_100011162410_100000053229 [0,2,0,0,0,0|2,0,0]=4 5651 B10R0.65 CC(=O)COCC(C)(C)CO 34a_100000211253_100009813988 [0,2,0,0,0,0|2,0,0]=4 5652 B10R0.65 CC(C)(C#N)OCCC(=O)N 34a_100000757172_100011162410 [0,2,0,0,0,0|2,0,0]=4 5653 B10R0.65 CC(C)(C#N)OCCC(=O)N 34a_200015195151_100000731001 [0,2,0,0,0,0|2,0,0]=4 5654 B10R0.65 CC(C)(C#N)OCCC(=O)N 7a_100000757172_100011162410 [0,2,0,0,0,0|2,0,0]=4 5655 B10R0.65 CC(C)(C#N)SCCC(=O)N 62a_100000744528_100011162410 [0,2,0,0,0,0|2,0,0]=4 5656 B10R0.65 CC(C)(C#N)SCCC(=O)N 62a_100011162410_100000744528 [0,2,0,0,0,0|2,0,0]=4 5657 B10R0.65 CC(C)(CCl)COCC(=O)N 7a_100011217199_100000187820 [0,2,0,0,0,0|2,0,0]=4 5658 B10R0.65 CC(C)(CCl)OCCC(=O)N 7a_100000764493_100000744528 [0,2,0,0,0,0|2,0,0]=4 5659 B10R0.65 CC(C)(CO)CNCC(=O)N 2230a_100020635058_100000747473 [0,2,0,0,0,0|2,0,0]=4 5660 B10R0.65 CC(C)(CO)CNCC(=O)O 269956a_100016091260_100009813988 [0,2,0,0,0,0|1,0,0]=3 5661 B10R0.65 CC(C)(CO)CSCC(=O)N 62a_100000747473_100009813988 [0,2,0,0,0,0|2,0,0]=4 5662 B10R0.65 CC(C)(CO)CSCC(=O)N 62a_100009813988_100000747473 [0,2,0,0,0,0|2,0,0]=4 5663 B10R0.65 CC(C)(CO)CSCC(=O)[O-] 62a_100009813988_100020667443 [0,2,0,0,0,0|1,0,1]=4 5664 B10R0.65 CC(C)(CO)CSCC(=O)[O-] 62a_100020667443_100009813988 [0,2,0,0,0,0|1,0,1]=4 5665 B10R0.65 CC(C)(CO)NCCC(=O)N 2230a_100000210608_100000744528 [0,2,0,0,0,0|2,0,0]=4 5666 B10R0.65 CC(C)CCCC(C)(C)O[13CH3] 7a_100011215742_200025704644 [0,2,0,0,0,0|1,0,1]=4 5667 B10R0.65 CCC(C)(C)COCC(=O)N 7a_100000765029_100000187820 [0,2,0,0,0,0|2,0,0]=4 5668 B10R0.65 CCC(C)(C)NCCC(=O)N 2230a_100000211385_100000744528 [0,2,0,0,0,0|2,0,0]=4 5669 B10R0.65 CCC(C)(C)NOCC(=O)O 269956a_100000106656_100000032637 [0,2,0,0,0,0|2,0,0]=4 5670 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000210230_100000053229 [0,2,0,0,0,0|2,0,0]=4 5671 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000759926_100000210677 [0,2,0,0,0,0|2,0,0]=4 5672 B10R0.65 CCC(C)(C)OCCC(=O)N 7a_100000210230_100000744528 [0,2,0,0,0,0|2,0,0]=4 5673 B10R0.65 CCC(C)(C)OCCC(=O)N 7a_100000757172_100000210677 [0,2,0,0,0,0|2,0,0]=4 5674 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000032637_100000053229 [0,2,0,0,0,0|2,0,0]=4 5675 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000053229_100000032637 [0,2,0,0,0,0|2,0,0]=4 5676 B10R0.65 CCC(C)(C)SCCC(=O)N 62a_100000032637_100000744528 [0,2,0,0,0,0|2,0,0]=4 5677 B10R0.65 CCC(C)(C)SCCC(=O)N 62a_100000744528_100000032637 [0,2,0,0,0,0|2,0,0]=4 5678 B10R0.65 COC(C)(C)CCCC(C)C 7a_100011215742_200000210301 [0,2,0,0,0,0|1,0,1]=4 5679 B10R0.65 COC(C)(C)CNCC(=O)N 2230a_100000763424_100000747473 [0,2,0,0,0,0|2,0,0]=4 5680 B10R0.65 COC(C)(C)CNCC(=O)O 269956a_100016091260_100000701081 [0,2,0,0,0,0|1,0,0]=3 5681 B10R0.65 COC(C)(C)COCC(=O)C 34a_100000211253_100000701081 [0,2,0,0,0,0|2,0,0]=4 5682 B10R0.65 COC(C)(C)CSCC(=O)N 62a_100000701081_100000747473 [0,2,0,0,0,0|2,0,0]=4 5683 B10R0.65 COC(C)(C)CSCC(=O)N 62a_100000747473_100000701081 [0,2,0,0,0,0|2,0,0]=4 5684 B10R0.65 COC(C)(C)CSCC(=O)[O-] 62a_100000701081_100020667443 [0,2,0,0,0,0|1,0,1]=4 5685 B10R0.65 COC(C)(C)CSCC(=O)[O-] 62a_100020667443_100000701081 [0,2,0,0,0,0|1,0,1]=4 5686 B10R0.77 CC(=O)CCOC(CCl)CCl 7a_100000737055_100000053229 [0,2,0,0,0,0|2,0,0]=4 5687 B10R0.77 CC(=O)CCOC(CF)CF 7a_100000032261_100000053229 [0,2,0,0,0,0|2,0,0]=4 5688 B10R0.77 CC(=O)CCO[C@@H](CF)CCl 7a_100015614560_100000053229 [0,2,0,0,0,0|2,0,0]=4 5689 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100000711301_100011215472 [0,2,0,0,0,0|2,0,0]=4 5690 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100102946423_100000747473 [0,2,0,0,0,0|2,0,0]=4 5691 B10R0.77 CCC(CC)CNCC(=O)O 269956a_100016091260_100011215472 [0,2,0,0,0,0|1,0,0]=3 5692 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,2,0,0,0,0|2,0,0]=4 5693 B10R0.77 CCC(CC)COCC(=O)N 7a_100000703878_100000187820 [0,2,0,0,0,0|2,0,0]=4 5694 B10R0.77 CCC(CC)CSCC(=O)N 62a_100000747473_100011215472 [0,2,0,0,0,0|2,0,0]=4 5695 B10R0.77 CCC(CC)CSCC(=O)N 62a_100011215472_100000747473 [0,2,0,0,0,0|2,0,0]=4 5696 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100011215472_100020667443 [0,2,0,0,0,0|1,0,1]=4 5697 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100020667443_100011215472 [0,2,0,0,0,0|1,0,1]=4 5698 B10R0.77 CCC(CC)NCCC(=O)N 2230a_100000199018_100000744528 [0,2,0,0,0,0|2,0,0]=4 5699 B10R0.77 CCC(CC)NOCC(=O)O 269956a_100000106656_100000210505 [0,2,0,0,0,0|2,0,0]=4 5700 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,2,0,0,0,0|2,0,0]=4 5701 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,2,0,0,0,0|2,0,0]=4 5702 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000688536_100000744528 [0,2,0,0,0,0|2,0,0]=4 5703 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000757172_100000210505 [0,2,0,0,0,0|2,0,0]=4 5704 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,2,0,0,0,0|2,0,0]=4 5705 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,2,0,0,0,0|2,0,0]=4 5706 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000210505_100000744528 [0,2,0,0,0,0|2,0,0]=4 5707 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000744528_100000210505 [0,2,0,0,0,0|2,0,0]=4 5708 B10R0.77 CCC(COCC(=O)N)OC 34a_100011934954_100000187820 [0,2,0,0,0,0|2,0,0]=4 5709 B10R0.77 CCC(COCC(=O)N)OC 7a_100011934954_100000187820 [0,2,0,0,0,0|2,0,0]=4 5710 B10R0.77 CCC(COCC(=O)[O-])OC 34a_100011934954_100020667443 [0,2,0,0,0,0|1,0,1]=4 5711 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100000070787_100000709985 [0,2,0,0,0,0|2,0,0]=4 5712 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100076194134_200000210301 [0,2,0,0,0,0|2,0,0]=4 5713 B10R0.77 CCN(CC)CCCC(=O)C 269956a_100000042499_100011215641 [0,2,0,0,0,0|2,0,0]=4 5714 B10R0.77 CCN(CC)CCCC(=O)C 269982a_100000724800_100011215641 [0,2,0,0,0,0|2,0,0]=4 5715 B10R0.77 CCN(CC)CCCC(=O)N 269956a_100000042499_100102525003 [0,2,0,0,0,0|2,0,0]=4 5716 B10R0.77 CCN(CC)CCCC(=O)N 269982a_100000724800_100102525003 [0,2,0,0,0,0|2,0,0]=4 5717 B10R0.77 CCN(CC)CCCC(=O)[13CH3] 1458a_100076194134_200025704644 [0,2,0,0,0,0|2,0,0]=4 5718 B10R0.77 CC[C@@H](CO)NCCC(=O)N 2230a_100000709445_100000744528 [0,2,0,0,0,0|2,0,0]=4 5719 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,2,0,0,0,0|1,0,0]=3 5720 B10R0.77 COC(CNCC(=O)N)OC 2230a_100000711301_100000751394 [0,2,0,0,0,0|2,0,0]=4 5721 B10R0.77 COC(CNCC(=O)O)OC 269956a_100016091260_100000751394 [0,2,0,0,0,0|1,0,0]=3 5722 B10R0.77 COC(COCC(=O)C)OC 34a_100000211253_100000211822 [0,2,0,0,0,0|2,0,0]=4 5723 B10R0.77 COC(COCC(=O)N)OC 34a_100011216393_100000187820 [0,2,0,0,0,0|2,0,0]=4 5724 B10R0.77 COC(COCC(=O)[O-])OC 34a_100011216393_100020667443 [0,2,0,0,0,0|1,0,1]=4 5725 B10R0.77 COC(CSCC(=O)N)OC 62a_100000747473_100000751394 [0,2,0,0,0,0|2,0,0]=4 5726 B10R0.77 COC(CSCC(=O)N)OC 62a_100000751394_100000747473 [0,2,0,0,0,0|2,0,0]=4 5727 B10R0.77 COC(CSCC(=O)[O-])OC 62a_100000751394_100020667443 [0,2,0,0,0,0|1,0,1]=4 5728 B10R0.77 COC(CSCC(=O)[O-])OC 62a_100020667443_100000751394 [0,2,0,0,0,0|1,0,1]=4 5729 B10R0.77 NC(=O)CCNC(CO)CO 2230a_100000759517_100000744528 [0,2,0,0,0,0|2,0,0]=4 5730 B10R0.77 NC(=O)CCOC(CCl)CCl 7a_100000737055_100000744528 [0,2,0,0,0,0|2,0,0]=4 5731 B10R0.77 NC(=O)CCOC(CF)CF 34a_100000032261_100000731001 [0,2,0,0,0,0|2,0,0]=4 5732 B10R0.77 NC(=O)CCOC(CF)CF 7a_100000032261_100000744528 [0,2,0,0,0,0|2,0,0]=4 5733 B10R0.77 NC(=O)CCO[C@@H](CF)CCl 34a_100015614560_100000731001 [0,2,0,0,0,0|2,0,0]=4 5734 B10R0.77 NC(=O)CCO[C@@H](CF)CCl 7a_100015614560_100000744528 [0,2,0,0,0,0|2,0,0]=4 5735 B10R0.77 NCC(CN)OCCC(=O)N 34a_100000031598_100000731001 [0,2,0,0,0,0|2,0,0]=4 5736 B10R0.82 C#CC(C)NCC(C)C(=O)O 269956a_100000749485_200000035995 [0,2,0,0,0,0|1,0,1]=4 5737 B10R0.82 C#CC(C)NCC(F)C(=O)O 269956a_100000084737_200000035995 [0,2,0,0,0,0|1,0,1]=4 5738 B10R0.82 C=CC(=O)NCC(O)C(C)C 240690a_100000759067_200121576911 [0,2,0,0,0,0|2,0,0]=4 5739 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,2,0,0,0,0|1,0,1]=4 5740 B10R0.82 C=CC(C)NCC(F)C(=O)O 269956a_100000084737_100011215867 [0,2,0,0,0,0|1,0,1]=4 5741 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 5742 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 5743 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,2,0,0,0,0|2,0,0]=4 5744 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,2,0,0,0,0|2,0,0]=4 5745 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,2,0,0,0,0|2,0,0]=4 5746 B10R0.82 CC(C#N)NCC(C)C(=O)O 269956a_100000749485_100000184139 [0,2,0,0,0,0|1,0,1]=4 5747 B10R0.82 CC(C#N)NCC(F)C(=O)O 269956a_100000084737_100000184139 [0,2,0,0,0,0|1,0,1]=4 5748 B10R0.82 CC(C)C(=O)OCC(=O)CO 1458a_100000210174_100000139345 [0,2,0,0,0,0|1,0,1]=4 5749 B10R0.82 CC(C)C(O)CNC(=O)CO 240690a_100000759067_100000210174 [0,2,0,0,0,0|1,0,0]=3 5750 B10R0.82 CC(C)C(O)CNC(=O)CO 527a_100000759067_100000210174 [0,2,0,0,0,0|1,0,0]=3 5751 B10R0.82 CC(C)N(C)CCC(=O)CF 1458a_100015184040_100015361967 [0,2,0,0,0,0|2,0,0]=4 5752 B10R0.82 CC(CN)COC(C)C(=O)N 34a_100000744482_100000702099 [0,2,0,0,0,0|2,0,0]=4 5753 B10R0.82 CC(CN)COC(F)C(=O)N 34a_100000744482_100009813875 [0,2,0,0,0,0|2,0,0]=4 5754 B10R0.82 CC(CN)COC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,2,0,0,0,0|1,0,1]=4 5755 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,2,0,0,0,0|1,0,0]=3 5756 B10R0.82 CC(CO)CNC(C)C(=O)N 34a_100000744482_100000702099 [0,2,0,0,0,0|2,0,0]=4 5757 B10R0.82 CC(CO)CNC(F)C(=O)N 34a_100000744482_100009813875 [0,2,0,0,0,0|2,0,0]=4 5758 B10R0.82 CC(CO)CNC(F)C(=O)[O-] 34a_100000744482_100020610796 [0,2,0,0,0,0|1,0,1]=4 5759 B10R0.82 CC(CO)OC[C@H](N)C(=O)N 34a_100000729942_100012180447 [0,2,0,0,0,0|2,0,0]=4 5760 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [0,2,0,0,0,0|2,0,0]=4 5761 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [0,2,0,0,0,0|2,0,0]=4 5762 B10R0.82 CCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210202 [0,2,0,0,0,0|2,0,0]=4 5763 B10R0.82 CCC(=O)COC(C)C(C)C 7a_100000748068_100000747405 [0,2,0,0,0,0|2,0,0]=4 5764 B10R0.82 CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210414 [0,2,0,0,0,0|2,0,0]=4 5765 B10R0.82 CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210414 [0,2,0,0,0,0|2,0,0]=4 5766 B10R0.82 CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210414 [0,2,0,0,0,0|2,0,0]=4 5767 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,2,0,0,0,0|2,0,0]=4 5768 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,2,0,0,0,0|2,0,0]=4 5769 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,2,0,0,0,0|2,0,0]=4 5770 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,2,0,0,0,0|1,0,0]=3 5771 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,2,0,0,0,0|2,0,0]=4 5772 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,2,0,0,0,0|2,0,0]=4 5773 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,2,0,0,0,0|2,0,0]=4 5774 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,2,0,0,0,0|2,0,0]=4 5775 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,2,0,0,0,0|1,0,1]=4 5776 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,2,0,0,0,0|2,0,0]=4 5777 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,2,0,0,0,0|2,0,0]=4 5778 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,2,0,0,0,0|2,0,0]=4 5779 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,2,0,0,0,0|2,0,0]=4 5780 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,2,0,0,0,0|2,0,0]=4 5781 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,2,0,0,0,0|2,0,0]=4 5782 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,2,0,0,0,0|2,0,0]=4 5783 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,2,0,0,0,0|2,0,0]=4 5784 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,2,0,0,0,0|1,0,1]=4 5785 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,2,0,0,0,0|1,0,1]=4 5786 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,2,0,0,0,0|1,0,0]=3 5787 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,2,0,0,0,0|1,0,0]=3 5788 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,2,0,0,0,0|2,0,0]=4 5789 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,2,0,0,0,0|2,0,0]=4 5790 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,2,0,0,0,0|2,0,0]=4 5791 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,0,0,0,0|2,0,0]=4 5792 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,2,0,0,0,0|1,0,0]=3 5793 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,2,0,0,0,0|2,0,0]=4 5794 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,2,0,0,0,0|2,0,0]=4 5795 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,2,0,0,0,0|2,0,0]=4 5796 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,2,0,0,0,0|2,0,0]=4 5797 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,2,0,0,0,0|2,0,0]=4 5798 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,2,0,0,0,0|2,0,0]=4 5799 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,2,0,0,0,0|1,0,1]=4 5800 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,2,0,0,0,0|2,0,0]=4 5801 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,2,0,0,0,0|2,0,0]=4 5802 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,2,0,0,0,0|2,0,0]=4 5803 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,2,0,0,0,0|2,0,0]=4 5804 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,2,0,0,0,0|2,0,0]=4 5805 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,2,0,0,0,0|2,0,0]=4 5806 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,2,0,0,0,0|2,0,0]=4 5807 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,2,0,0,0,0|2,0,0]=4 5808 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,2,0,0,0,0|1,0,1]=4 5809 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,2,0,0,0,0|1,0,1]=4 5810 B10R0.82 CNC(=O)CCC(=O)C(C)C 1458a_100011309844_100000210206 [0,2,0,0,0,0|1,0,1]=4 5811 B10R0.82 CNC(=O)CCN(C)C(C)C 1626a_100102657272_100015184040 [0,2,0,0,0,0|2,0,0]=4 5812 B10R0.82 CNC(=O)CCN(C)C(C)C 2230a_100000750875_100000210206 [0,2,0,0,0,0|2,0,0]=4 5813 B10R0.82 CNC(=O)CCN(C)C(C)C 240690a_100102657272_100015184040 [0,2,0,0,0,0|2,0,0]=4 5814 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_100000750875_100000210206 [0,2,0,0,0,0|2,0,0]=4 5815 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737683 [0,2,0,0,0,0|2,0,0]=4 5816 B10R0.82 CNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183359 [0,2,0,0,0,0|2,0,0]=4 5817 B10R0.82 CNC(=O)COC(C)C(C)C 7a_100000748068_100000183359 [0,2,0,0,0,0|2,0,0]=4 5818 B10R0.82 CNC(=O)NCC(O)C(C)C 2708a_100102657272_100000759067 [0,2,0,0,0,0|2,0,0]=4 5819 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100000759067_100102657272 [0,2,0,0,0,0|2,0,0]=4 5820 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100102657272_100000759067 [0,2,0,0,0,0|2,0,0]=4 5821 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_100000759067_100102657272 [0,2,0,0,0,0|2,0,0]=4 5822 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_106832991638_100000759067 [0,2,0,0,0,0|2,0,0]=4 5823 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,2,0,0,0,0|0,0,1]=3 5824 B10R0.82 COC(=O)CCC(=O)N(C)C 11a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 5825 B10R0.82 COC(=O)CCC(=O)N(C)C 1626a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 5826 B10R0.82 COC(=O)CCC(=O)N(C)C 240690a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 5827 B10R0.82 COC(=O)CCC(=O)N(C)C 527a_100102631434_100000187943 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.82 COC(=O)CCN(C)C(C)C 2230a_100000228967_200000210301 [0,2,0,0,0,0|1,0,0]=3 5829 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100000228967_200000210301 [0,2,0,0,0,0|1,0,0]=3 5830 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100025711912_100000210206 [0,2,0,0,0,0|1,0,0]=3 5831 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_200000211004_100000204255 [0,2,0,0,0,0|1,0,0]=3 5832 B10R0.82 COC(=O)CCN([13CH3])C(C)C 2230a_100000228967_200025704644 [0,2,0,0,0,0|1,0,0]=3 5833 B10R0.82 COC(=O)CCN([13CH3])C(C)C 269982a_100000228967_200025704644 [0,2,0,0,0,0|1,0,0]=3 5834 B10R0.82 COC(=O)CNC(=O)C(C)C 188690a_100000185156_100000210198 [0,2,0,0,0,0|1,0,1]=4 5835 B10R0.82 COC(=O)CNC(C)C(C)C 2230a_100000211541_100000747449 [0,2,0,0,0,0|1,0,0]=3 5836 B10R0.82 COC(=O)COC(C)C(C)C 7a_100000748068_100000747449 [0,2,0,0,0,0|1,0,0]=3 5837 B10R0.82 COC(=O)NCC(=O)C(C)C 1458a_100000215747_100000210206 [0,2,0,0,0,0|1,0,1]=4 5838 B10R0.82 COC(C)COC(C)C(=O)N 34a_100000690652_100000702099 [0,2,0,0,0,0|2,0,0]=4 5839 B10R0.82 COC(C)COC(F)C(=O)N 34a_100000690652_100009813875 [0,2,0,0,0,0|2,0,0]=4 5840 B10R0.82 COC(C)COC(F)C(=O)[O-] 34a_100000690652_100020610796 [0,2,0,0,0,0|1,0,1]=4 5841 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,2,0,0,0,0|1,0,0]=3 5842 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,2,0,0,0,0|1,0,0]=3 5843 B10R0.82 CO[C@H](C)CNC(C)C(=O)C 2230a_100020591295_100009814033 [0,2,0,0,0,0|2,0,0]=4 5844 B10R0.82 CO[C@H](C)CNC(C)C(=O)N 2230a_100020591295_100000702099 [0,2,0,0,0,0|2,0,0]=4 5845 B10R0.82 CO[C@H](C)CNC(F)C(=O)N 2230a_100020591295_100009813875 [0,2,0,0,0,0|2,0,0]=4 5846 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,2,0,0,0,0|1,0,0]=3 5847 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 2230a_100000119354_100000059175 [0,2,0,0,0,0|2,0,0]=4 5848 B10R0.82 C[C@@H](CO)CN[C@H](C)C(=O)N 34a_100000119354_100000059175 [0,2,0,0,0,0|2,0,0]=4 5849 B10R0.82 C[C@@H](CO)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000059175 [0,2,0,0,0,0|1,0,1]=4 5850 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 34a_100000731257_100000059175 [0,2,0,0,0,0|2,0,0]=4 5851 B10R0.82 C[C@@H](CO)CO[C@H](C)C(=O)N 7a_100000731257_100000059175 [0,2,0,0,0,0|2,0,0]=4 5852 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100000059175_100009813875 [0,2,0,0,0,0|2,0,0]=4 5853 B10R0.82 C[C@@H](CO)CSC(F)C(=O)N 62a_100009813875_100000059175 [0,2,0,0,0,0|2,0,0]=4 5854 B10R0.82 C[C@@H](CO)CSC(F)C(=O)[O-] 62a_100000059175_100020610796 [0,2,0,0,0,0|1,0,1]=4 5855 B10R0.82 C[C@@H](CO)CSC(F)C(=O)[O-] 62a_100020610796_100000059175 [0,2,0,0,0,0|1,0,1]=4 5856 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,2,0,0,0,0|1,0,0]=3 5857 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,2,0,0,0,0|2,0,0]=4 5860 B10R0.12 CC(=O)CCN(C)C(C)(C)C 269982a_100011215553_100000053229 [0,2,0,0,0,0|2,0,0]=4 5861 B10R0.12 CC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100015343762 [0,2,0,0,0,0|2,0,0]=4 5862 B10R0.12 CC(=O)NC[C@@H](F)C(C)(C)O 527a_100015379105_100103153847 [0,2,0,0,0,0|2,0,0]=4 5863 B10R0.12 CN(CCC(=O)N)C(C)(C)C 269982a_100011215553_100000744528 [0,2,0,0,0,0|2,0,0]=4 5864 B10R0.12 C[C@@H](NCC(=O)N)C(C)(C)C 2230a_100025703359_100000747473 [0,2,0,0,0,0|2,0,0]=4 5865 B10R0.12 C[C@H](NCC(=O)N)C(C)(C)O 2230a_100025708725_100000747473 [0,2,0,0,0,0|2,0,0]=4 5866 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,2,0,0,0,0|1,0,1]=4 5867 B10R0.13 CC(=O)C(C)N(C)CC(C)C 2230a_100000747067_100009814033 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.13 CC(=O)C(C)N(C)CC(C)C 269982a_100000747067_100009814033 [0,2,0,0,0,0|2,0,0]=4 5869 B10R0.13 CC(=O)N(C)C(C)CC(C)C 11a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 5870 B10R0.13 CC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 5871 B10R0.13 CC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 5872 B10R0.13 CC(=O)N(C)C(C)CC(C)C 527a_100000745462_100103153847 [0,2,0,0,0,0|2,0,0]=4 5873 B10R0.13 CC(C(=O)O)N(C)C[C@@H](C)O 269956a_100000749554_100009817552 [0,2,0,0,0,0|2,0,0]=4 5874 B10R0.13 CC(C)C(C)C(=O)CC(=O)N 1458a_100000755409_100000187820 [0,2,0,0,0,0|1,0,1]=4 5875 B10R0.13 CC(C)C(C)C(=O)CC(=O)[O-] 1458a_100000755409_100020667443 [0,2,0,0,0,0|0,0,2]=4 5876 B10R0.13 CC(C)C(C)N(C)CC(=O)N 2230a_100000228512_100000747473 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.13 CC(C)C(C)N(C)CC(=O)N 269982a_100000228512_100000187820 [0,2,0,0,0,0|2,0,0]=4 5878 B10R0.13 CC(C)C(C)N(C)CC(=O)[O-] 269982a_100000228512_100020667443 [0,2,0,0,0,0|1,0,1]=4 5879 B10R0.13 CC(C)CC(=O)C(C)C(=O)N 1458a_100000210554_100000702099 [0,2,0,0,0,0|1,0,1]=4 5880 B10R0.13 CC(C)CC(=O)C(F)C(=O)N 1458a_100000210554_100009813875 [0,2,0,0,0,0|1,0,1]=4 5881 B10R0.13 CC(C)CC(=O)C(F)C(=O)[O-] 1458a_100000210554_100020610796 [0,2,0,0,0,0|0,0,2]=4 5882 B10R0.13 CC(C)CN(C)C(C)C(=O)N 2230a_100000747067_100000702099 [0,2,0,0,0,0|2,0,0]=4 5883 B10R0.13 CC(C)CN(C)C(C)C(=O)N 269982a_100000747067_100000184083 [0,2,0,0,0,0|2,0,0]=4 5884 B10R0.13 CC(C)CN(C)C(C)C(=O)O 269956a_100000749554_100000210760 [0,2,0,0,0,0|1,0,0]=3 5885 B10R0.13 CC(C)CN(C)C(F)C(=O)N 2230a_100000747067_100009813875 [0,2,0,0,0,0|2,0,0]=4 5886 B10R0.13 CC(C)CN(C)C(F)C(=O)N 269982a_100000747067_100009813875 [0,2,0,0,0,0|2,0,0]=4 5887 B10R0.13 CC(C)O[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210206 [0,2,0,0,0,0|2,0,0]=4 5888 B10R0.13 CC(C)[C@@H](O)C(=O)CC(=O)N 1458a_100000691806_100000187820 [0,2,0,0,0,0|1,0,1]=4 5889 B10R0.13 CC(C)[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000691806_100020667443 [0,2,0,0,0,0|0,0,2]=4 5890 B10R0.13 CC(O)CN(C)C(C)C(=O)O 269956a_100000749554_100011218427 [0,2,0,0,0,0|2,0,0]=4 5891 B10R0.43 CC(=O)C(C)(C)CCC(C)C 1458a_100000070787_200000037585 [0,2,0,0,0,0|1,0,0]=3 5892 B10R0.43 CC(=O)C(C)(C)OCC(C)C 34a_100000747739_100000210624 [0,2,0,0,0,0|2,0,0]=4 5893 B10R0.43 CC(=O)C(C)(C)OCC(C)C 7a_100000747739_100000210760 [0,2,0,0,0,0|2,0,0]=4 5894 B10R0.43 CC(=O)C(C)(C)SCC(C)C 62a_100000075568_100000210760 [0,2,0,0,0,0|2,0,0]=4 5895 B10R0.43 CC(=O)C(C)(C)SCC(C)C 62a_100000210624_100000075568 [0,2,0,0,0,0|2,0,0]=4 5896 B10R0.43 CC(C)C(C)(C)NCC(=O)N 2230a_200160471154_100000747473 [0,2,0,0,0,0|2,0,0]=4 5897 B10R0.43 CC(C)C(C)(C)OCC(=O)N 7a_100011215261_100000187820 [0,2,0,0,0,0|2,0,0]=4 5898 B10R0.43 CC(C)CNC(C)(C)C(=O)N 2230a_100000210953_100000702505 [0,2,0,0,0,0|2,0,0]=4 5899 B10R0.43 CC(C)CNC(C)(C)C(=O)N 2230a_100000743658_100000210760 [0,2,0,0,0,0|2,0,0]=4 5900 B10R0.43 CC(C)CNC(C)(C)C(=O)N 34a_100000210953_100000702505 [0,2,0,0,0,0|2,0,0]=4 5901 B10R0.43 CC(C)CNC(C)(C)C(=O)N 34a_100000743658_100000210624 [0,2,0,0,0,0|2,0,0]=4 5902 B10R0.43 CC(C)CNC(F)(F)C(=O)[O-] 34a_100000210953_100020612412 [0,2,0,0,0,0|1,0,1]=4 5903 B10R0.43 CC(C)COC(C)(C)C(=O)N 34a_100000210257_100000702505 [0,2,0,0,0,0|2,0,0]=4 5904 B10R0.43 CC(C)COC(C)(C)C(=O)N 34a_100011626353_100000210624 [0,2,0,0,0,0|2,0,0]=4 5905 B10R0.43 CC(C)COC(C)(C)C(=O)N 7a_100011626353_100000210760 [0,2,0,0,0,0|2,0,0]=4 5906 B10R0.43 CC(C)COC(F)(F)C(=O)[O-] 34a_100000210257_100020612412 [0,2,0,0,0,0|1,0,1]=4 5907 B10R0.43 CC(C)CSC(C)(C)C(=O)N 62a_100000210624_100000702505 [0,2,0,0,0,0|2,0,0]=4 5908 B10R0.43 CC(C)CSC(C)(C)C(=O)N 62a_100000702505_100000210760 [0,2,0,0,0,0|2,0,0]=4 5909 B10R0.43 CC(C)CSC(F)(F)C(=O)N 62a_100000210624_100009811971 [0,2,0,0,0,0|2,0,0]=4 5910 B10R0.43 CC(C)CSC(F)(F)C(=O)N 62a_100009811971_100000210760 [0,2,0,0,0,0|2,0,0]=4 5911 B10R0.43 CC(C)CSC(F)(F)C(=O)[O-] 62a_100000210624_100000745680 [0,2,0,0,0,0|1,0,1]=4 5912 B10R0.43 CC(C)CSC(F)(F)C(=O)[O-] 62a_100000745680_100000210760 [0,2,0,0,0,0|1,0,1]=4 5913 B10R0.43 CC(C)NCC(C)(C)C(=O)N 2230a_100000740840_100000210206 [0,2,0,0,0,0|2,0,0]=4 5914 B10R0.43 CC(C)NCC(C)(C)C(=O)N 34a_100000740840_100000210206 [0,2,0,0,0,0|2,0,0]=4 5915 B10R0.43 CC(C)NCC(C)(C)C(=O)N 34a_100138425928_200009895572 [0,2,0,0,0,0|2,0,0]=4 5916 B10R0.43 CC(C)NCC(C)(C)C(=O)O 269956a_100000693527_100000210206 [0,2,0,0,0,0|1,0,0]=3 5917 B10R0.43 CC(C)NCC(F)(F)C(=O)O 269956a_100000734215_100000210206 [0,2,0,0,0,0|1,0,0]=3 5918 B10R0.43 CC(C)NOC(C)(C)C(=O)O 269956a_100016989451_100000210206 [0,2,0,0,0,0|2,0,0]=4 5919 B10R0.43 CC(C)OCC(C)(C)C(=O)N 34a_100000212225_200009895572 [0,2,0,0,0,0|2,0,0]=4 5920 B10R0.43 CC(C)SCC(C)(C)C(=O)N 62a_100000210206_200009895572 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.43 CC(C)SCC(C)(C)C(=O)N 62a_200009895572_100000210206 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.43 CN(C)C(C)(C)NCC(=O)O 269956a_100016091260_217856628674 [0,2,0,0,0,0|2,0,0]=4 5923 B10R0.84 C#CC(OCC(=O)N)C(C)C 34a_100011217124_100000187820 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.84 C#CC(OCC(=O)N)C(C)C 7a_100011217124_100000187820 [0,2,0,0,0,0|2,0,0]=4 5925 B10R0.84 C#CC(OCC(=O)[O-])C(C)C 34a_100011217124_100020667443 [0,2,0,0,0,0|1,0,1]=4 5926 B10R0.84 C=CC(OCC(=O)N)C(C)C 34a_100000732651_100000187820 [0,2,0,0,0,0|2,0,0]=4 5927 B10R0.84 C=CC(OCC(=O)N)C(C)C 7a_100000732651_100000187820 [0,2,0,0,0,0|2,0,0]=4 5928 B10R0.84 C=CC(OCC(=O)[O-])C(C)C 34a_100000732651_100020667443 [0,2,0,0,0,0|1,0,1]=4 5929 B10R0.84 C=C[C@H](NCC(C)C)C(=O)O 269956a_100016992060_100000210760 [0,2,0,0,0,0|1,0,0]=3 5930 B10R0.84 C=C[C@H](NCC(C)O)C(=O)O 269956a_100016992060_100011218427 [0,2,0,0,0,0|2,0,0]=4 5931 B10R0.84 C=C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100016992060_100009817552 [0,2,0,0,0,0|2,0,0]=4 5932 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,2,0,0,0,0|0,0,2]=4 5933 B10R0.84 CC(=O)NCC(CO)C(C)C 240690a_100000692819_100015343762 [0,2,0,0,0,0|2,0,0]=4 5934 B10R0.84 CC(=O)NCC(CO)C(C)C 527a_100000692819_100103153847 [0,2,0,0,0,0|2,0,0]=4 5935 B10R0.84 CC(C)C(C#N)OCC(=O)N 34a_100000748901_100000187820 [0,2,0,0,0,0|2,0,0]=4 5936 B10R0.84 CC(C)C(C#N)OCC(=O)N 7a_100000748901_100000187820 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.84 CC(C)C(C#N)OCC(=O)[O-] 34a_100000748901_100020667443 [0,2,0,0,0,0|1,0,1]=4 5938 B10R0.84 CC(C)C(CN)OCC(=O)N 34a_100000759067_100000187820 [0,2,0,0,0,0|2,0,0]=4 5939 B10R0.84 CC(C)C(CN)OCC(=O)[O-] 34a_100000759067_100020667443 [0,2,0,0,0,0|1,0,1]=4 5940 B10R0.84 CC(C)CNC(C#N)C(=O)N 2230a_100000039599_100000210760 [0,2,0,0,0,0|2,0,0]=4 5941 B10R0.84 CC(C)CNC(C#N)C(=O)N 270004a_100000039599_100000210432 [0,2,0,0,0,0|2,0,0]=4 5942 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,2,0,0,0,0|1,0,0]=3 5943 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000210760 [0,2,0,0,0,0|2,0,0]=4 5944 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000210432 [0,2,0,0,0,0|2,0,0]=4 5945 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000210624 [0,2,0,0,0,0|2,0,0]=4 5946 B10R0.84 CC(C)N(CF)CCC(=O)N 269982a_100011191440_100015361967 [0,2,0,0,0,0|2,0,0]=4 5947 B10R0.84 CC(C)[C@H](CO)NCC(=O)N 2230a_100011830312_100000747473 [0,2,0,0,0,0|2,0,0]=4 5948 B10R0.84 CC(C)[C@H](CO)NCC(=O)N 34a_100011830312_100000187820 [0,2,0,0,0,0|2,0,0]=4 5949 B10R0.84 CC(C)[C@H](CO)NCC(=O)[O-] 34a_100011830312_100020667443 [0,2,0,0,0,0|1,0,1]=4 5950 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,2,0,0,0,0|2,0,0]=4 5951 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000210953_100000750255 [0,2,0,0,0,0|2,0,0]=4 5952 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000733705_100000210760 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000210953_100000750255 [0,2,0,0,0,0|2,0,0]=4 5954 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000733705_100000210624 [0,2,0,0,0,0|2,0,0]=4 5955 B10R0.84 CCC(OCC(=O)N)C(C)C 34a_100011218073_100000187820 [0,2,0,0,0,0|2,0,0]=4 5956 B10R0.84 CCC(OCC(=O)N)C(C)C 7a_100011218073_100000187820 [0,2,0,0,0,0|2,0,0]=4 5957 B10R0.84 CCC(OCC(=O)[O-])C(C)C 34a_100011218073_100020667443 [0,2,0,0,0,0|1,0,1]=4 5958 B10R0.84 CCC(OCC(C)C)C(=O)N 34a_100000210257_100000750255 [0,2,0,0,0,0|2,0,0]=4 5959 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000210624_100000750255 [0,2,0,0,0,0|2,0,0]=4 5960 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000750255_100000210760 [0,2,0,0,0,0|2,0,0]=4 5961 B10R0.84 CCN(CCC(=O)C)C(C)C 269982a_100000223864_100000053229 [0,2,0,0,0,0|2,0,0]=4 5962 B10R0.84 CCN(CCC(=O)N)C(C)C 2230a_100000223864_100000744528 [0,2,0,0,0,0|2,0,0]=4 5963 B10R0.84 CCN(CCC(=O)N)C(C)C 2230a_100011191440_100000210202 [0,2,0,0,0,0|2,0,0]=4 5964 B10R0.84 CCN(CCC(=O)N)C(C)C 2230a_100020645749_100000210206 [0,2,0,0,0,0|2,0,0]=4 5965 B10R0.84 CCN(CCC(=O)N)C(C)C 269982a_100000223864_100000744528 [0,2,0,0,0,0|2,0,0]=4 5966 B10R0.84 CCN(CCC(=O)N)C(C)C 269982a_100011191440_100000204670 [0,2,0,0,0,0|2,0,0]=4 5967 B10R0.84 CCN(CCC(C)C)C(=O)C 11a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 5968 B10R0.84 CCN(CCC(C)C)C(=O)C 1626a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 5969 B10R0.84 CCN(CCC(C)C)C(=O)C 240690a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 5970 B10R0.84 CCN(CCC(C)C)C(=O)C 527a_100000207693_100103153847 [0,2,0,0,0,0|2,0,0]=4 5971 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,2,0,0,0,0|1,0,0]=3 5972 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,2,0,0,0,0|2,0,0]=4 5973 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,2,0,0,0,0|2,0,0]=4 5974 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,2,0,0,0,0|0,0,2]=4 5975 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,2,0,0,0,0|1,0,0]=3 5976 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,2,0,0,0,0|2,0,0]=4 5977 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,2,0,0,0,0|2,0,0]=4 5978 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,2,0,0,0,0|2,0,0]=4 5979 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,2,0,0,0,0|1,0,0]=3 5980 B10R0.92 CC(=O)C(C)COC(C)(C)C 34a_100000032740_100000210625 [0,2,0,0,0,0|2,0,0]=4 5981 B10R0.92 CC(=O)C(C)NCC(C)(C)C 2230a_100000743828_100009814033 [0,2,0,0,0,0|2,0,0]=4 5982 B10R0.92 CC(=O)C(C)NCC(C)(C)F 2230a_100020643315_100009814033 [0,2,0,0,0,0|2,0,0]=4 5983 B10R0.92 CC(=O)C(C)NCC(C)(C)O 2230a_100000751335_100009814033 [0,2,0,0,0,0|2,0,0]=4 5984 B10R0.92 CC(=O)C(C)OCC(C)(C)C 34a_100000212229_100011219605 [0,2,0,0,0,0|2,0,0]=4 5985 B10R0.92 CC(=O)C(C)OCC(C)(C)F 34a_100000212229_100011997219 [0,2,0,0,0,0|2,0,0]=4 5986 B10R0.92 CC(=O)C(C)OCC(C)(C)O 34a_100000212229_100000764493 [0,2,0,0,0,0|2,0,0]=4 5987 B10R0.92 CC(=O)C(C)SCC(C)(C)C 62a_100009814033_100011219605 [0,2,0,0,0,0|2,0,0]=4 5988 B10R0.92 CC(=O)C(C)SCC(C)(C)C 62a_100011219605_100009814033 [0,2,0,0,0,0|2,0,0]=4 5989 B10R0.92 CC(=O)C(C)SCC(C)(C)F 62a_100009814033_100011997219 [0,2,0,0,0,0|2,0,0]=4 5990 B10R0.92 CC(=O)C(C)SCC(C)(C)F 62a_100011997219_100009814033 [0,2,0,0,0,0|2,0,0]=4 5991 B10R0.92 CC(=O)C(C)SCC(C)(C)O 62a_100000764493_100009814033 [0,2,0,0,0,0|2,0,0]=4 5992 B10R0.92 CC(=O)C(C)SCC(C)(C)O 62a_100009814033_100000764493 [0,2,0,0,0,0|2,0,0]=4 5993 B10R0.92 CC(C)(C)CNC(F)C(=O)N 2230a_100000743828_100009813875 [0,2,0,0,0,0|2,0,0]=4 5994 B10R0.92 CC(C)(C)CSC(F)C(=O)N 62a_100009813875_100011219605 [0,2,0,0,0,0|2,0,0]=4 5995 B10R0.92 CC(C)(C)CSC(F)C(=O)N 62a_100011219605_100009813875 [0,2,0,0,0,0|2,0,0]=4 5996 B10R0.92 CC(C)(C)CSC(F)C(=O)[O-] 62a_100011219605_100020610796 [0,2,0,0,0,0|1,0,1]=4 5997 B10R0.92 CC(C)(C)CSC(F)C(=O)[O-] 62a_100020610796_100011219605 [0,2,0,0,0,0|1,0,1]=4 5998 B10R0.92 CC(C)(C)NCC(F)C(=O)O 269956a_100000084737_100000211941 [0,2,0,0,0,0|1,0,0]=3 5999 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210625 [0,2,0,0,0,0|2,0,0]=4 6000 B10R0.92 CC(C)(F)CNC(F)C(=O)N 2230a_100020643315_100009813875 [0,2,0,0,0,0|2,0,0]=4 6001 B10R0.92 CC(C)(F)COC(F)C(=O)N 34a_100000716592_100009813875 [0,2,0,0,0,0|2,0,0]=4 6002 B10R0.92 CC(C)(F)COC(F)C(=O)[O-] 34a_100000716592_100020610796 [0,2,0,0,0,0|1,0,1]=4 6003 B10R0.92 CC(C)(F)CSC(F)C(=O)N 62a_100009813875_100011997219 [0,2,0,0,0,0|2,0,0]=4 6004 B10R0.92 CC(C)(F)CSC(F)C(=O)N 62a_100011997219_100009813875 [0,2,0,0,0,0|2,0,0]=4 6005 B10R0.92 CC(C)(F)CSC(F)C(=O)[O-] 62a_100011997219_100020610796 [0,2,0,0,0,0|1,0,1]=4 6006 B10R0.92 CC(C)(F)CSC(F)C(=O)[O-] 62a_100020610796_100011997219 [0,2,0,0,0,0|1,0,1]=4 6007 B10R0.92 CC(C)(O)CNC(F)C(=O)N 2230a_100000751335_100009813875 [0,2,0,0,0,0|2,0,0]=4 6008 B10R0.92 CC(C)(O)CSC(F)C(=O)N 62a_100000764493_100009813875 [0,2,0,0,0,0|2,0,0]=4 6009 B10R0.92 CC(C)(O)CSC(F)C(=O)N 62a_100009813875_100000764493 [0,2,0,0,0,0|2,0,0]=4 6010 B10R0.92 CC(C)(O)CSC(F)C(=O)[O-] 62a_100000764493_100020610796 [0,2,0,0,0,0|1,0,1]=4 6011 B10R0.92 CC(C)(O)CSC(F)C(=O)[O-] 62a_100020610796_100000764493 [0,2,0,0,0,0|1,0,1]=4 6012 B10R0.92 CC(CNC(C)(C)C)C(=O)O 269956a_100000749485_100000211941 [0,2,0,0,0,0|1,0,0]=3 6013 B10R0.92 CC(NCC(C)(C)C)C(=O)N 2230a_100000743828_100000702099 [0,2,0,0,0,0|2,0,0]=4 6014 B10R0.92 CC(NCC(C)(C)F)C(=O)N 2230a_100020643315_100000702099 [0,2,0,0,0,0|2,0,0]=4 6015 B10R0.92 CC(NCC(C)(C)O)C(=O)N 2230a_100000751335_100000702099 [0,2,0,0,0,0|2,0,0]=4 6016 B10R0.92 CC(OCC(C)(C)F)C(=O)N 34a_100000716592_100000702099 [0,2,0,0,0,0|2,0,0]=4 6017 B10R0.92 CC(SCC(C)(C)C)C(=O)N 62a_100000702099_100011219605 [0,2,0,0,0,0|2,0,0]=4 6018 B10R0.92 CC(SCC(C)(C)C)C(=O)N 62a_100011219605_100000702099 [0,2,0,0,0,0|2,0,0]=4 6019 B10R0.92 CC(SCC(C)(C)F)C(=O)N 62a_100000702099_100011997219 [0,2,0,0,0,0|2,0,0]=4 6020 B10R0.92 CC(SCC(C)(C)F)C(=O)N 62a_100011997219_100000702099 [0,2,0,0,0,0|2,0,0]=4 6021 B10R0.92 CC(SCC(C)(C)O)C(=O)N 62a_100000702099_100000764493 [0,2,0,0,0,0|2,0,0]=4 6022 B10R0.92 CC(SCC(C)(C)O)C(=O)N 62a_100000764493_100000702099 [0,2,0,0,0,0|2,0,0]=4 6023 B10R0.92 C[C@@H](NCC(C)(C)C)C(=O)N 270004a_100000119354_100011204126 [0,2,0,0,0,0|2,0,0]=4 6024 B10R0.92 C[C@@H](NCC(C)(C)C)C(=O)N 34a_100000119354_100011219605 [0,2,0,0,0,0|2,0,0]=4 6025 B10R0.92 C[C@@H](NCC(C)(C)F)C(=O)N 34a_100000119354_100011997219 [0,2,0,0,0,0|2,0,0]=4 6026 B10R0.92 C[C@@H](NCC(C)(C)O)C(=O)N 34a_100000119354_100000764493 [0,2,0,0,0,0|2,0,0]=4 6027 B10R0.92 C[C@@H](OCC(C)(C)C)C(=O)N 34a_100000731257_100011219605 [0,2,0,0,0,0|2,0,0]=4 6028 B10R0.92 C[C@@H](OCC(C)(C)F)C(=O)N 34a_100000731257_100011997219 [0,2,0,0,0,0|2,0,0]=4 6029 B10R0.92 C[C@@H](OCC(C)(C)O)C(=O)N 34a_100000731257_100000764493 [0,2,0,0,0,0|2,0,0]=4 6030 B10R0.92 C[C@@H](OCC(C)(C)O)C(=O)N 7a_100000731257_100000764493 [0,2,0,0,0,0|2,0,0]=4 6031 B10R0.92 C[C@H](NCC(C)(C)C)C(=O)O 269956a_100000743915_100011219605 [0,2,0,0,0,0|1,0,0]=3 6032 B10R0.92 C[C@H](NCC(C)(C)F)C(=O)O 269956a_100000743915_100011997219 [0,2,0,0,0,0|1,0,0]=3 6033 B10R0.92 C[C@H](NCC(C)(C)O)C(=O)O 269956a_100000743915_100000764493 [0,2,0,0,0,0|1,0,0]=3 6034 B10R0.92 C[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000743915_200000036245 [0,2,0,0,0,0|2,0,0]=4 6035 B10R0.92 C[C@H](NC[Si](C)(C)C)C(=O)O 269956a_100000743915_100000037933 [0,2,0,0,0,0|1,1,0]=4 6036 B10R0.92 C[C@H](OCC(C)(C)O)C(=O)[O-] 7a_217856618621_100000764493 [0,2,0,0,0,0|1,0,1]=4 6037 B10R0.93 CC(=O)C(C)CN(C)C(C)C 1458a_100015184680_200000210301 [0,2,0,0,0,0|2,0,0]=4 6038 B10R0.93 CC(=O)C(C)NC(C)C(C)C 2230a_100000211541_100009814033 [0,2,0,0,0,0|2,0,0]=4 6039 B10R0.93 CC(=O)C(C)OC(C)C(C)C 7a_100000748068_100000179758 [0,2,0,0,0,0|2,0,0]=4 6040 B10R0.93 CC(C)C(C)NC(F)C(=O)N 2230a_100000211541_100009813875 [0,2,0,0,0,0|2,0,0]=4 6041 B10R0.93 CC(C)C(C)OC(F)C(=O)N 7a_100000748068_100009813875 [0,2,0,0,0,0|2,0,0]=4 6042 B10R0.93 CC(CN(C)C(C)C)C(=O)[13CH3] 1458a_100015184680_200025704644 [0,2,0,0,0,0|2,0,0]=4 6043 B10R0.93 CC(NC(C)C(C)C)C(=O)N 2230a_100000211541_100000702099 [0,2,0,0,0,0|2,0,0]=4 6044 B10R0.93 CC(OC(C)C(C)C)C(=O)N 7a_100000748068_100000702099 [0,2,0,0,0,0|2,0,0]=4 6045 B10R0.31 CC(=O)CC(C)CC(C)(C)C 1458a_100000239893_200000210301 [0,2,0,0,0,0|1,0,0]=3 6046 B10R0.31 CC(=O)CC(O)C[N+](C)(C)C 1458a_100000070787_100000032816 [0,2,0,0,0,0|2,0,0]=4 6047 B10R0.31 CC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_200000210301 [0,2,0,0,0,0|2,0,0]=4 6048 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100015343762 [0,2,0,0,0,0|2,0,0]=4 6049 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100015343762 [0,2,0,0,0,0|2,0,0]=4 6050 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100015343762 [0,2,0,0,0,0|2,0,0]=4 6051 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100103153847 [0,2,0,0,0,0|2,0,0]=4 6052 B10R0.31 CC(C)(C)CC(=O)CC(=O)N 1458a_100000211214_100000187820 [0,2,0,0,0,0|1,0,1]=4 6053 B10R0.31 CC(C)(C)CC(=O)CC(=O)[O-] 1458a_100000211214_100020667443 [0,2,0,0,0,0|0,0,2]=4 6054 B10R0.31 CC(C)(O)CC(=O)CC(=O)N 1458a_100000693243_100000187820 [0,2,0,0,0,0|1,0,1]=4 6055 B10R0.31 CC(C)(O)CC(=O)CC(=O)[O-] 1458a_100000693243_100020667443 [0,2,0,0,0,0|0,0,2]=4 6056 B10R0.31 CC(CC(=O)[13CH3])CC(C)(C)C 1458a_100000239893_200025704644 [0,2,0,0,0,0|1,0,0]=3 6057 B10R0.31 CN(CC(=O)N)CC(C)(C)C 2230a_100000742839_100000747473 [0,2,0,0,0,0|2,0,0]=4 6058 B10R0.31 CN(CC(=O)N)CC(C)(C)C 269982a_100000742839_100000187820 [0,2,0,0,0,0|2,0,0]=4 6059 B10R0.31 CN(CC(=O)N)CC(C)(C)C 270004a_100000739694_100011204126 [0,2,0,0,0,0|2,0,0]=4 6060 B10R0.31 CN(CC(=O)N)CC(C)(C)O 2230a_100000755907_100000747473 [0,2,0,0,0,0|2,0,0]=4 6061 B10R0.31 CN(CC(=O)N)CC(C)(C)O 269982a_100000755907_100000187820 [0,2,0,0,0,0|2,0,0]=4 6062 B10R0.31 CN(CC(=O)O)CC(C)(C)C 269956a_100000746989_100011219605 [0,2,0,0,0,0|1,0,0]=3 6063 B10R0.31 CN(CC(=O)O)CC(C)(C)F 269956a_100000746989_100011997219 [0,2,0,0,0,0|1,0,0]=3 6064 B10R0.31 CN(CC(=O)O)CC(C)(C)O 269956a_100000746989_100000764493 [0,2,0,0,0,0|1,0,0]=3 6065 B10R0.31 CN(CC(=O)O)C[N+](C)(C)C 269956a_100000746989_200000036245 [0,2,0,0,0,0|2,0,0]=4 6066 B10R0.31 CN(CC(=O)O)C[Si](C)(C)C 269956a_100000746989_100000037933 [0,2,0,0,0,0|1,1,0]=4 6067 B10R0.31 CN(CC(=O)[O-])CC(C)(C)C 269982a_100000742839_100020667443 [0,2,0,0,0,0|1,0,1]=4 6068 B10R0.31 CN(CC(=O)[O-])CC(C)(C)O 269982a_100000755907_100020667443 [0,2,0,0,0,0|1,0,1]=4 6069 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[13CH3] 1458a_100000004043_200025704644 [0,2,0,0,0,0|2,0,0]=4 6070 B10R0.70 CC(=O)NC(C#N)CC(C)C 11a_100000741378_100015343762 [0,2,0,0,0,0|2,0,0]=4 6071 B10R0.70 CC(=O)NC(C#N)CC(C)C 1626a_100000741378_100015343762 [0,2,0,0,0,0|2,0,0]=4 6072 B10R0.70 CC(=O)NC(C#N)CC(C)C 240690a_100000741378_100015343762 [0,2,0,0,0,0|2,0,0]=4 6073 B10R0.70 CC(=O)NC(C#N)CC(C)C 527a_100000741378_100103153847 [0,2,0,0,0,0|2,0,0]=4 6074 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [0,2,0,0,0,0|2,0,0]=4 6075 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [0,2,0,0,0,0|2,0,0]=4 6076 B10R0.70 CC(C)CN(CO)CC(=O)[O-] 269956a_100016989150_100000210760 [0,2,0,0,0,0|1,0,1]=4 6077 B10R0.70 CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000210206 [0,2,0,0,0,0|1,0,0]=3 6078 B10R0.70 CCN(CC(=O)N)CC(C)C 2230a_100000738554_100000747473 [0,2,0,0,0,0|2,0,0]=4 6079 B10R0.70 CCN(CC(=O)N)CC(C)C 269982a_100000738554_100000187820 [0,2,0,0,0,0|2,0,0]=4 6080 B10R0.70 CCN(CC(=O)O)CC(C)C 269956a_100000746405_100000210760 [0,2,0,0,0,0|1,0,0]=3 6081 B10R0.70 CCN(CC(=O)O)CC(C)O 269956a_100000746405_100011218427 [0,2,0,0,0,0|2,0,0]=4 6082 B10R0.70 CCN(CC(=O)O)C[C@@H](C)O 269956a_100000746405_100009817552 [0,2,0,0,0,0|2,0,0]=4 6083 B10R0.70 CCN(CC(=O)[O-])CC(C)C 269982a_100000738554_100020667443 [0,2,0,0,0,0|1,0,1]=4 6084 B10R0.70 CC[C@H](CC(=O)O)NC(C)C 269956a_100016995926_100000210206 [0,2,0,0,0,0|1,0,0]=3 6085 B10R0.165 CC(=O)CC(C)(C)OC(C)C 7a_100000210262_100000210206 [0,2,0,0,0,0|2,0,0]=4 6086 B10R0.165 CC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_200000210301 [0,2,0,0,0,0|2,0,0]=4 6087 B10R0.165 CC(=O)NC(C)(C)CC(C)C 11a_100011346068_100015343762 [0,2,0,0,0,0|2,0,0]=4 6088 B10R0.165 CC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100015343762 [0,2,0,0,0,0|2,0,0]=4 6089 B10R0.165 CC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100015343762 [0,2,0,0,0,0|2,0,0]=4 6090 B10R0.165 CC(=O)NC(C)(C)CC(C)C 527a_100011346068_100103153847 [0,2,0,0,0,0|2,0,0]=4 6091 B10R0.165 CC(C)CS(=O)(=O)CC(=O)[13CH3] 1458a_200000740652_200025704644 [0,2,0,0,0,0|2,0,0]=4 6092 B10R0.165 CC(C)NC(C)(C)CC(=O)N 2230a_100000763158_100000210206 [0,2,0,0,0,0|2,0,0]=4 6093 B10R0.165 CC(C)NC(C)(C)CC(=O)O 269956a_100000755897_100000210206 [0,2,0,0,0,0|1,0,0]=3 6094 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|2,0,0]=4 6095 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 6096 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 6097 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 6098 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [1,0,0,1,0,0|2,0,0]=4 6099 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 6100 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|2,0,0]=4 6101 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|2,0,0]=4 6102 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 6103 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 6104 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 6105 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 6106 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 6107 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|2,0,0]=4 6108 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 6109 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,0,0,1,0,0|1,0,1]=4 6110 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,0,0,1,0,0|1,0,1]=4 6111 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 6112 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 6113 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 6114 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 6115 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 6116 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 6117 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 6118 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 6119 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,0,0,1,0,0|1,0,1]=4 6120 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,0,0,1,0,0|1,0,1]=4 6121 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 6122 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 6123 B8R1.6 C=CCN1CC(C1)C 2230a_100000702820_100000210623 [1,0,0,1,0,0|2,0,0]=4 6124 B8R1.6 C=CCN1CC(C1)C 269982a_100000702820_100000210623 [1,0,0,1,0,0|2,0,0]=4 6125 B8R1.6 C=CCN1CC(C1)C 34a_100000702820_100015514636 [1,0,0,1,0,0|2,0,0]=4 6126 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [1,0,0,1,0,0|1,0,0]=3 6127 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [1,0,0,1,0,0|1,0,0]=3 6128 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [1,0,0,1,0,0|1,0,0]=3 6129 B8R1.6 CC1CN(C1)CCO 2230a_100000702820_100000211926 [1,0,0,1,0,0|1,0,1]=4 6130 B8R1.6 CC1CN(C1)CCO 269982a_100000702820_100000211926 [1,0,0,1,0,0|1,0,1]=4 6131 B8R1.6 CC1CN(C1)CCO 34a_100000702820_100000211926 [1,0,0,1,0,0|1,0,1]=4 6132 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 6133 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 6134 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 6135 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|2,0,0]=4 6136 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|2,0,0]=4 6137 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|2,0,0]=4 6138 B8R1.6 O=CCN1CC(C1)F 2230a_100000690557_200015260668 [1,0,0,1,0,0|2,0,0]=4 6139 B8R1.6 O=CCN1CC(C1)F 269982a_100000690557_200015260668 [1,0,0,1,0,0|2,0,0]=4 6140 B8R1.6 O=CCN1CC(C1)F 34a_100000690557_200009817547 [1,0,0,1,0,0|2,0,0]=4 6141 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [1,0,0,1,0,0|2,0,0]=4 6142 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|2,0,0]=4 6143 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|2,0,0]=4 6144 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|2,0,0]=4 6145 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 6146 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 6147 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 6148 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|2,0,0]=4 6149 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|2,0,0]=4 6150 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|2,0,0]=4 6151 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|2,0,0]=4 6152 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 6153 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 6154 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 6155 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|2,0,0]=4 6156 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 6157 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [1,0,0,1,0,0|2,0,0]=4 6158 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [1,0,0,1,0,0|2,0,0]=4 6159 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [1,0,0,1,0,0|2,0,0]=4 6160 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 6161 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 6162 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 6163 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 6164 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 6165 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 6166 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [1,0,0,1,0,0|2,0,0]=4 6167 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [1,0,0,1,0,0|2,0,0]=4 6168 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [1,0,0,1,0,0|2,0,0]=4 6169 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [1,0,0,1,0,0|2,0,0]=4 6170 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|1,0,1]=4 6171 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 6172 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 6173 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 6174 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [1,0,0,1,0,0|1,0,0]=3 6175 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 6176 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 6177 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 6178 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 6179 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 6180 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 6181 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 6182 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 6183 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 6184 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 6185 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 6186 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [1,0,0,1,0,0|1,0,1]=4 6187 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [1,0,0,1,0,0|1,0,1]=4 6188 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 6189 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|1,0,1]=4 6190 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 6191 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 6192 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 6193 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 6194 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|2,0,0]=4 6195 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 6196 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 6197 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 6198 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 6199 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 6200 B8R1.35 CC(C)NCC1CO1 2230a_100138425928_100011216344 [1,0,0,1,0,0|1,0,1]=4 6201 B8R1.35 CC(C)NCC1CO1 34a_100138425928_102125554688 [1,0,0,1,0,0|1,0,1]=4 6202 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [1,0,0,1,0,0|1,0,1]=4 6203 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [1,0,0,1,0,0|1,0,1]=4 6204 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [1,0,0,1,0,0|1,0,1]=4 6205 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [1,0,0,1,0,0|1,0,1]=4 6206 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [1,0,0,1,0,0|1,0,1]=4 6207 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [1,0,0,1,0,0|1,0,1]=4 6208 B8R1.35 CN(C)CCC1CO1 2230a_100102631434_100000732470 [1,0,0,1,0,0|1,0,1]=4 6209 B8R1.35 CN(C)CCC1CO1 269982a_100102631434_100000732470 [1,0,0,1,0,0|1,0,1]=4 6210 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 6211 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 6212 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,0]=3 6213 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|1,0,1]=4 6214 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|1,0,1]=4 6215 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 6216 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [1,0,0,1,0,0|2,0,0]=4 6217 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|2,0,0]=4 6218 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [1,0,0,1,0,0|2,0,0]=4 6219 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [1,0,0,1,0,0|2,0,0]=4 6220 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [1,0,0,1,0,0|2,0,0]=4 6221 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [1,0,0,1,0,0|2,0,0]=4 6222 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [1,0,0,1,0,0|2,0,0]=4 6223 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [1,0,0,1,0,0|2,0,0]=4 6224 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [1,0,0,1,0,0|2,0,0]=4 6225 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [1,0,0,1,0,0|2,0,0]=4 6226 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|1,0,0]=3 6227 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|1,0,0]=3 6228 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|1,0,0]=3 6229 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [1,0,0,1,0,0|2,0,0]=4 6230 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|1,0,0]=3 6231 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|1,0,0]=3 6232 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [1,0,0,1,0,0|2,0,0]=4 6233 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [1,0,0,1,0,0|2,0,0]=4 6234 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [1,0,0,1,0,0|2,0,0]=4 6235 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [1,0,0,1,0,0|2,0,0]=4 6236 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [1,0,0,1,0,0|2,0,0]=4 6237 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [1,0,0,1,0,0|2,0,0]=4 6238 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|1,0,1]=4 6239 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|1,0,1]=4 6240 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 6241 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|1,0,1]=4 6242 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|1,0,1]=4 6243 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 6244 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|1,0,1]=4 6245 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|1,0,1]=4 6246 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [1,0,0,1,0,0|1,0,1]=4 6247 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [1,0,0,1,0,0|1,0,1]=4 6248 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 6249 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 6250 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,1,0|1,0,0]=3 6251 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,1,0|2,0,0]=4 6252 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,1,0|2,0,0]=4 6253 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,1,0|2,0,0]=4 6254 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,1,0|2,0,0]=4 6255 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,1,0|2,0,0]=4 6256 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,1,0|2,0,0]=4 6257 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,1,0|1,0,0]=3 6258 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,1,0|2,0,0]=4 6259 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,1,0|2,0,0]=4 6260 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,1,0|2,0,0]=4 6261 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,1,0|2,0,0]=4 6262 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,1,0|2,0,0]=4 6263 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,1,0|2,0,0]=4 6264 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,1,0|1,0,0]=3 6265 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,1,0|1,0,0]=3 6266 B10R1.54 C=C(C)CN1CC[C@H](C1)C 2230a_100016987628_100000748629 [0,0,0,1,0,1|2,0,0]=4 6267 B10R1.54 C=C(C)CN1CC[C@H](C1)C 269982a_100016987628_100000748629 [0,0,0,1,0,1|2,0,0]=4 6268 B10R1.54 C=C(C)CN1CC[C@H](C1)C 34a_100016987628_100000748629 [0,0,0,1,0,1|2,0,0]=4 6269 B10R1.54 C=C(F)CN1CC[C@H](C1)C 2230a_100016987628_100009893438 [0,0,0,1,0,1|2,0,0]=4 6270 B10R1.54 C=C(F)CN1CC[C@H](C1)C 269982a_100016987628_100009893438 [0,0,0,1,0,1|2,0,0]=4 6271 B10R1.54 C=C(F)CN1CC[C@H](C1)C 34a_100016987628_100009893438 [0,0,0,1,0,1|2,0,0]=4 6272 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,0,0,1,0,1|2,0,0]=4 6273 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,0,1|1,0,1]=4 6274 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,1|1,0,1]=4 6275 B10R1.54 CC(=O)NC1CCN(C1)C 1626a_100000744687_100015343762 [0,0,0,1,0,1|2,0,0]=4 6276 B10R1.54 CC(=O)NC1CCN(C1)C 240690a_100000744687_100015343762 [0,0,0,1,0,1|2,0,0]=4 6277 B10R1.54 CC(=O)NC1CCN(C1)C 527a_100000744687_100103153847 [0,0,0,1,0,1|2,0,0]=4 6278 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 2230a_100016989438_200000210301 [0,0,0,1,0,1|2,0,0]=4 6279 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 269982a_100016989438_200000210301 [0,0,0,1,0,1|2,0,0]=4 6280 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 2230a_100016989438_200025704644 [0,0,0,1,0,1|2,0,0]=4 6281 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 269982a_100016989438_200025704644 [0,0,0,1,0,1|2,0,0]=4 6282 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,0,0,1,0,1|2,0,0]=4 6283 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,0,0,1,0,1|2,0,0]=4 6284 B10R1.54 CC(C)CN1CCC(C1)O 2230a_100011215560_100000210760 [0,0,0,1,0,1|1,0,1]=4 6285 B10R1.54 CC(C)CN1CCC(C1)O 269982a_100011215560_100000210624 [0,0,0,1,0,1|1,0,1]=4 6286 B10R1.54 CC(C)CN1CCC(C1)O 270004a_100011215560_100000210432 [0,0,0,1,0,1|1,0,1]=4 6287 B10R1.54 CC(C)CN1CNC(=O)C1 2230a_200000708111_100000210760 [0,0,0,1,0,1|2,0,0]=4 6288 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,0,0,1,0,1|2,0,0]=4 6289 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,0,0,1,0,1|1,0,0]=3 6290 B10R1.54 CC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210206 [0,0,0,1,0,1|1,0,1]=4 6291 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,0,0,1,0,1|1,0,0]=3 6292 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [0,0,0,1,0,1|2,0,0]=4 6293 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,0,0,1,0,1|1,0,0]=3 6294 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,0,0,1,0,1|1,0,0]=3 6295 B10R1.54 CC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218427 [0,0,0,1,0,1|1,0,1]=4 6296 B10R1.54 CC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218427 [0,0,0,1,0,1|1,0,1]=4 6297 B10R1.54 CC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218427 [0,0,0,1,0,1|1,0,1]=4 6298 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [0,0,0,1,0,1|1,0,0]=3 6299 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [0,0,0,1,0,1|1,0,0]=3 6300 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,0,0,1,0,1|1,0,0]=3 6301 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,0,0,1,0,1|2,0,0]=4 6302 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,0,0,1,0,1|2,0,0]=4 6303 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,0,0,1,0,1|2,0,0]=4 6304 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,0,0,1,0,1|2,0,0]=4 6305 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,0,1|1,0,0]=3 6306 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 2230a_100016987628_100000747473 [0,0,0,1,0,1|1,0,0]=3 6307 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 269982a_100016987628_100000187820 [0,0,0,1,0,1|1,0,0]=3 6308 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 34a_100016987628_100000187820 [0,0,0,1,0,1|1,0,0]=3 6309 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [0,0,0,1,0,1|0,0,1]=3 6310 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [0,0,0,1,0,1|0,0,1]=3 6311 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 2230a_100016987628_100009817552 [0,0,0,1,0,1|1,0,1]=4 6312 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 269982a_100016987628_100009817552 [0,0,0,1,0,1|1,0,1]=4 6313 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 34a_100016987628_100009817552 [0,0,0,1,0,1|1,0,1]=4 6314 B10R1.54 C[C@@H]1CCN(C1)C[N+](=O)[O-] 269982a_100016987628_100000761209 [0,0,0,1,0,1|1,0,1]=4 6315 B10R1.54 C[C@@H]1CCN(C1)C[N+](=O)[O-] 34a_100016987628_100000761209 [0,0,0,1,0,1|1,0,1]=4 6316 B10R1.54 NC(=O)CN1CCC(C1)O 2230a_100011215560_100000747473 [0,0,0,1,0,1|2,0,0]=4 6317 B10R1.54 NC(=O)CN1CCC(C1)O 269982a_100011215560_100000187820 [0,0,0,1,0,1|2,0,0]=4 6318 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747473 [0,0,0,1,0,1|2,0,0]=4 6319 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000187820 [0,0,0,1,0,1|2,0,0]=4 6320 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000187820 [0,0,0,1,0,1|2,0,0]=4 6321 B10R1.54 O=C([O-])CN1CCC(C1)O 269982a_100011215560_100020667443 [0,0,0,1,0,1|1,0,1]=4 6322 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 269982a_100015203821_100020667443 [0,0,0,1,0,1|1,0,1]=4 6323 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 34a_100015203821_100020667443 [0,0,0,1,0,1|1,0,1]=4 6324 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,0,1|1,0,0]=3 6325 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,0,0,1,0,1|2,0,0]=4 6326 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,0,0,1,0,1|2,0,0]=4 6327 B10R1.73 C=C(F)COCC1CC1C 34a_100000744939_100009893438 [0,0,0,1,0,1|2,0,0]=4 6328 B10R1.73 C=C(F)COCC1CC1C 7a_100000744939_100000042424 [0,0,0,1,0,1|2,0,0]=4 6329 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,0,0,1,0,1|1,0,1]=4 6330 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,0,0,1,0,1|1,0,1]=4 6331 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,0,0,1,0,1|1,0,0]=3 6332 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,0,0,1,0,1|1,0,0]=3 6333 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,0,0,1,0,1|0,0,1]=3 6334 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,0,0,1,0,1|1,0,1]=4 6335 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,0,0,1,0,1|1,0,1]=4 6336 B10R1.73 CC1CC1COC[N+](=O)[O-] 34a_100000744939_100000761209 [0,0,0,1,0,1|1,0,1]=4 6337 B10R1.73 NC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000744528 [0,0,0,1,0,1|2,0,0]=4 6338 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000744528 [0,0,0,1,0,1|2,0,0]=4 6339 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000731001 [0,0,0,1,0,1|2,0,0]=4 6340 B10R1.82 C=C(C)CCN1CC(C1)C 2230a_100000702820_100000730704 [0,0,0,1,0,1|2,0,0]=4 6341 B10R1.82 C=C(C)CCN1CC(C1)C 269982a_100000702820_100000730704 [0,0,0,1,0,1|2,0,0]=4 6342 B10R1.82 C=C(C)CCN1CC(C1)C 34a_100000702820_100000730704 [0,0,0,1,0,1|2,0,0]=4 6343 B10R1.82 C=C1CC(C1)CNC(C)C 2230a_100102567296_100000210206 [0,0,0,1,0,1|2,0,0]=4 6344 B10R1.82 C=C1CC(C1)CNC(C)C 34a_100102567296_100000210206 [0,0,0,1,0,1|2,0,0]=4 6345 B10R1.82 C=C1CC(C1)COC(C)C 34a_100011011225_100000210206 [0,0,0,1,0,1|2,0,0]=4 6346 B10R1.82 C=C1CC(C1)NCC(C)C 2230a_100132301982_100000210760 [0,0,0,1,0,1|2,0,0]=4 6347 B10R1.82 C=C1CC(C1)NCC(C)C 270004a_100132301982_100000210432 [0,0,0,1,0,1|2,0,0]=4 6348 B10R1.82 CC(=O)CCN1CC(C1)C 269982a_100000702820_100000053229 [0,0,0,1,0,1|1,0,0]=3 6349 B10R1.82 CC(=O)CCN1CC(C1)F 269982a_100000690557_100000053229 [0,0,0,1,0,1|2,0,0]=4 6350 B10R1.82 CC(=O)CCN1CC(C1)O 269982a_100000749847_100000053229 [0,0,0,1,0,1|2,0,0]=4 6351 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,0,0,1,0,1|2,0,0]=4 6352 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,0,0,1,0,1|2,0,0]=4 6353 B10R1.82 CC(=O)NCC1CN(C1)C 240690a_100000723568_100015343762 [0,0,0,1,0,1|2,0,0]=4 6354 B10R1.82 CC(=O)OCN1CC(C1)C 269982a_100000702820_100000076356 [0,0,0,1,0,1|2,0,0]=4 6355 B10R1.82 CC(=O)OCN1CC(C1)C 34a_100000702820_100009813279 [0,0,0,1,0,1|2,0,0]=4 6356 B10R1.82 CC(C)CCN1CC(C1)O 269982a_100000749847_100000210312 [0,0,0,1,0,1|1,0,1]=4 6357 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210760 [0,0,0,1,0,1|1,0,1]=4 6358 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 270004a_100020629032_100000210432 [0,0,0,1,0,1|1,0,1]=4 6359 B10R1.82 CC(C)CSC1CC(=O)C1 62a_100009894365_100000210760 [0,0,0,1,0,1|1,0,0]=3 6360 B10R1.82 CC(C)NCC1CC(=O)C1 2230a_100138425928_100009874392 [0,0,0,1,0,1|1,0,0]=3 6361 B10R1.82 CC(C)NCC1CC(C1)O 2230a_100016992100_100000210206 [0,0,0,1,0,1|1,0,1]=4 6362 B10R1.82 CC(C)OCC1CC(=O)C1 34a_100000101936_100000210206 [0,0,0,1,0,1|1,0,0]=3 6363 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100000210206_100009874392 [0,0,0,1,0,1|1,0,0]=3 6364 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100009874392_100000210206 [0,0,0,1,0,1|1,0,0]=3 6365 B10R1.82 CC(O)CCN1CC(C1)C 2230a_100000702820_100012276601 [0,0,0,1,0,1|1,0,1]=4 6366 B10R1.82 CC(O)CCN1CC(C1)C 269982a_100000702820_100012276601 [0,0,0,1,0,1|1,0,1]=4 6367 B10R1.82 CC(O)CCN1CC(C1)C 34a_100000702820_100012276601 [0,0,0,1,0,1|1,0,1]=4 6368 B10R1.82 CC(O)CSC1CC(=O)C1 62a_100009894365_100011218427 [0,0,0,1,0,1|2,0,0]=4 6369 B10R1.82 CC1CN(C1)CCC(=O)N 2230a_100000702820_100000744528 [0,0,0,1,0,1|1,0,0]=3 6370 B10R1.82 CC1CN(C1)CCC(=O)N 269982a_100000702820_100000744528 [0,0,0,1,0,1|1,0,0]=3 6371 B10R1.82 CC1CN(C1)CCC(=O)N 34a_100000702820_100000731001 [0,0,0,1,0,1|1,0,0]=3 6372 B10R1.82 C[C@@H](O)CSC1CC(=O)C1 62a_100009894365_100009817552 [0,0,0,1,0,1|2,0,0]=4 6373 B10R1.82 NC(=O)CCN1CC(C1)F 2230a_100000690557_100000744528 [0,0,0,1,0,1|2,0,0]=4 6374 B10R1.82 NC(=O)CCN1CC(C1)F 269982a_100000690557_100000744528 [0,0,0,1,0,1|2,0,0]=4 6375 B10R1.82 NC(=O)CCN1CC(C1)F 34a_100000690557_100000731001 [0,0,0,1,0,1|2,0,0]=4 6376 B10R1.82 NC(=O)CCN1CC(C1)O 269982a_100000749847_100000744528 [0,0,0,1,0,1|2,0,0]=4 6377 B10R1.82 NC(=O)CNC1CC(C1)F 2230a_100016993743_100000747473 [0,0,0,1,0,1|2,0,0]=4 6378 B10R1.82 NC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747473 [0,0,0,1,0,1|2,0,0]=4 6379 B10R1.82 O=C(O)CNC1CC(=O)C1 269956a_100016091260_100009894365 [0,0,0,1,0,1|1,0,1]=4 6380 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,1|1,0,0]=3 6381 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,1|2,0,0]=4 6382 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,0,1|2,0,0]=4 6383 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,0,0,1,0,1|2,0,0]=4 6384 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,0,0,1,0,1|2,0,0]=4 6385 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,0,0,1,0,1|2,0,0]=4 6386 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,0,0,1,0,1|2,0,0]=4 6387 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,0,0,1,0,1|2,0,0]=4 6388 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,0,1,0,1|2,0,0]=4 6389 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,0,1,0,1|2,0,0]=4 6390 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,0,0,1,0,1|1,0,0]=3 6391 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,0,0,1,0,1|1,0,0]=3 6392 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,0,0,1,0,1|1,0,0]=3 6393 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,0,0,1,0,1|2,0,0]=4 6394 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,0,0,1,0,1|2,0,0]=4 6395 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,0,0,1,0,1|2,0,0]=4 6396 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,0,0,1,0,1|2,0,0]=4 6397 B10R1.113 CC(C)N1CCCC(C1)O 2230a_100000211013_100000210206 [0,0,0,1,0,1|1,0,1]=4 6398 B10R1.113 CC(C)N1CCCC(C1)O 269982a_100000211013_100000210206 [0,0,0,1,0,1|1,0,1]=4 6399 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,0,0,1,0,1|2,0,0]=4 6400 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,0,1|2,0,0]=4 6401 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,1|1,0,0]=3 6402 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,0,0,1,0,1|2,0,0]=4 6403 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,0,0,1,0,1|2,0,0]=4 6404 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,0,0,1,0,1|2,0,0]=4 6405 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,0,1|2,0,0]=4 6406 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,0,0,1,0,1|2,0,0]=4 6407 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,0,0,1,0,1|2,0,0]=4 6408 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,0,0,1,0,1|2,0,0]=4 6409 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,1|2,0,0]=4 6410 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,0,0,1,0,1|2,0,0]=4 6411 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,0,0,1,0,1|2,0,0]=4 6412 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,0,0,1,0,1|2,0,0]=4 6413 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,0,0,1,0,1|2,0,0]=4 6414 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,0,0,1,0,1|2,0,0]=4 6415 B10R1.126 C=C(Br)CCOCC1CC1 34a_100009813270_100000742324 [0,0,0,1,0,1|2,0,0]=4 6416 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [0,0,0,1,0,1|2,0,0]=4 6417 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [0,0,0,1,0,1|2,0,0]=4 6418 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,0,0,1,0,1|2,0,0]=4 6419 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,0,0,1,0,1|2,0,0]=4 6420 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [0,0,0,1,0,1|2,0,0]=4 6421 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [0,0,0,1,0,1|2,0,0]=4 6422 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [0,0,0,1,0,1|2,0,0]=4 6423 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,0,0,1,0,1|2,0,0]=4 6424 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,0,0,1,0,1|2,0,0]=4 6425 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,0,0,1,0,1|2,0,0]=4 6426 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [0,0,0,1,0,1|2,0,0]=4 6427 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [0,0,0,1,0,1|2,0,0]=4 6428 B10R1.126 C=C(F)CNCCC1CC1 34a_100000764129_100009893438 [0,0,0,1,0,1|2,0,0]=4 6429 B10R1.126 C=C(F)COCCC1CC1 34a_100000754188_100009893438 [0,0,0,1,0,1|2,0,0]=4 6430 B10R1.126 C=C(F)COCCC1CC1 34a_200010262243_100000694398 [0,0,0,1,0,1|2,0,0]=4 6431 B10R1.126 C=C(F)COCCC1CC1 7a_100000754188_100000042424 [0,0,0,1,0,1|2,0,0]=4 6432 B10R1.126 C=C(F)CSCCC1CC1 62a_100000042424_100000764125 [0,0,0,1,0,1|2,0,0]=4 6433 B10R1.126 C=C(F)CSCCC1CC1 62a_100000764125_100000042424 [0,0,0,1,0,1|2,0,0]=4 6434 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,0,1,0,1|1,0,0]=3 6435 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,0,1,0,1|1,0,0]=3 6436 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,0,1,0,1|1,0,0]=3 6437 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,0,0,1,0,1|1,0,0]=3 6438 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,0,0,1,0,1|1,0,0]=3 6439 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,0,0,1,0,1|2,0,0]=4 6440 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,0,0,1,0,1|2,0,0]=4 6441 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,0,0,1,0,1|2,0,0]=4 6442 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,0,0,1,0,1|2,0,0]=4 6443 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,0,0,1,0,1|1,0,0]=3 6444 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,0,0,1,0,1|1,0,0]=3 6445 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,0,0,1,0,1|2,0,0]=4 6446 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,0,0,1,0,1|2,0,0]=4 6447 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,0,0,1,0,1|2,0,0]=4 6448 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,0,0,1,0,1|2,0,0]=4 6449 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,0,0,1,0,1|2,0,0]=4 6450 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,0,0,1,0,1|2,0,0]=4 6451 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,0,0,1,0,1|1,0,0]=3 6452 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,0,0,1,0,1|2,0,0]=4 6453 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,0,0,1,0,1|2,0,0]=4 6454 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,0,0,1,0,1|2,0,0]=4 6455 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,0,0,1,0,1|2,0,0]=4 6456 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,0,0,1,0,1|2,0,0]=4 6457 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,0,0,1,0,1|2,0,0]=4 6458 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,0,0,1,0,1|2,0,0]=4 6459 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,0,0,1,0,1|2,0,0]=4 6460 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,0,0,1,0,1|2,0,0]=4 6461 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [0,0,0,1,0,1|1,0,1]=4 6462 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [0,0,0,1,0,1|1,0,1]=4 6463 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [0,0,0,1,0,1|1,0,1]=4 6464 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [0,0,0,1,0,1|1,0,1]=4 6465 B10R1.126 CC(C)CCSCC1CO1 62a_100000210312_102125554688 [0,0,0,1,0,1|1,0,1]=4 6466 B10R1.126 CC(C)CCSCC1CO1 62a_102125554688_100000210312 [0,0,0,1,0,1|1,0,1]=4 6467 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000210312_100000745022 [0,0,0,1,0,1|1,0,1]=4 6468 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000745022_100000210312 [0,0,0,1,0,1|1,0,1]=4 6469 B10R1.126 CC(C)CNCCC1CO1 2230a_100000210953_100000732470 [0,0,0,1,0,1|1,0,1]=4 6470 B10R1.126 CC(C)CNCCC1CO1 34a_100000210953_100000732470 [0,0,0,1,0,1|1,0,1]=4 6471 B10R1.126 CC(C)COCCC1CO1 34a_100000210257_100000732470 [0,0,0,1,0,1|1,0,1]=4 6472 B10R1.126 CC(C)COCC[C@@H]1CO1 34a_100009820653_100000210624 [0,0,0,1,0,1|1,0,1]=4 6473 B10R1.126 CC(C)CSCCC1CO1 62a_100000210624_100000732470 [0,0,0,1,0,1|1,0,1]=4 6474 B10R1.126 CC(C)CSCCC1CO1 62a_100000732470_100000210760 [0,0,0,1,0,1|1,0,1]=4 6475 B10R1.126 CC(C)NCCCC1CO1 2230a_100138425928_100000733510 [0,0,0,1,0,1|1,0,1]=4 6476 B10R1.126 CC(C)NCCCC1CO1 34a_100138425928_100000733510 [0,0,0,1,0,1|1,0,1]=4 6477 B10R1.126 CC(C)OCCCC1CO1 34a_100000212225_100000733510 [0,0,0,1,0,1|1,0,1]=4 6478 B10R1.126 CC(C)SCCCC1CO1 62a_100000210206_100000733510 [0,0,0,1,0,1|1,0,1]=4 6479 B10R1.126 CC(C)SCCCC1CO1 62a_100000733510_100000210206 [0,0,0,1,0,1|1,0,1]=4 6480 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [0,0,0,1,0,1|1,0,1]=4 6481 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [0,0,0,1,0,1|1,0,1]=4 6482 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [0,0,0,1,0,1|1,0,1]=4 6483 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [0,0,0,1,0,1|1,0,1]=4 6484 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [0,0,0,1,0,1|1,0,1]=4 6485 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [0,0,0,1,0,1|1,0,1]=4 6486 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,0,0,1,0,1|1,0,1]=4 6487 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [0,0,0,1,0,1|1,0,1]=4 6488 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [0,0,0,1,0,1|1,0,1]=4 6489 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,0,0,1,0,1|1,0,1]=4 6490 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,0,0,1,0,1|1,0,1]=4 6491 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,0,0,1,0,1|1,0,1]=4 6492 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,0,0,1,0,1|1,0,1]=4 6493 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,0,0,1,0,1|1,0,1]=4 6494 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,0,0,1,0,1|1,0,1]=4 6495 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,0,0,1,0,1|1,0,1]=4 6496 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,0,0,1,0,1|1,0,1]=4 6497 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,0,0,1,0,1|1,0,1]=4 6498 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,0,0,1,0,1|1,0,1]=4 6499 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,0,0,1,0,1|1,0,1]=4 6500 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,0,0,1,0,1|1,0,1]=4 6501 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,0,0,1,0,1|1,0,0]=3 6502 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,0,0,1,0,1|1,0,0]=3 6503 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,0,0,1,0,1|1,0,0]=3 6504 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,0,0,1,0,1|1,0,0]=3 6505 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,0,0,1,0,1|1,0,0]=3 6506 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,0,0,1,0,1|1,0,0]=3 6507 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,0,0,1,0,1|1,0,0]=3 6508 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,0,0,1,0,1|1,0,0]=3 6509 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,0,0,1,0,1|1,0,0]=3 6510 B10R1.126 NC(=O)CCOCC1CO1 34a_100000757172_102125554688 [0,0,0,1,0,1|2,0,0]=4 6511 B10R1.126 NC(=O)CCOCC1CO1 7a_100000757172_102125554688 [0,0,0,1,0,1|2,0,0]=4 6512 B10R1.126 NC(=O)CCOCC1CS1 7a_100000757172_100000031435 [0,0,0,1,0,1|2,0,0]=4 6513 B10R1.126 NC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000731001 [0,0,0,1,0,1|2,0,0]=4 6514 B10R1.126 NC(=O)CCOC[C@@H]1CO1 7a_100000757172_100000745022 [0,0,0,1,0,1|2,0,0]=4 6515 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,0,0,1,0,1|1,0,0]=3 6516 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,0,0,1,0,1|1,0,0]=3 6517 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [0,0,0,1,0,1|2,0,0]=4 6518 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [0,0,0,1,0,1|2,0,0]=4 6519 B10R1.126 NC(=O)CCSCC1CS1 62a_100000031435_100000744528 [0,0,0,1,0,1|2,0,0]=4 6520 B10R1.126 NC(=O)CCSCC1CS1 62a_100000744528_100000031435 [0,0,0,1,0,1|2,0,0]=4 6521 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [0,0,0,1,0,1|2,0,0]=4 6522 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [0,0,0,1,0,1|2,0,0]=4 6523 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,0,0,1,0,1|1,0,0]=3 6524 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,0,0,1,0,1|1,0,0]=3 6525 B10R1.126 NC(=O)CNCCC1CO1 2230a_100000711301_100000732470 [0,0,0,1,0,1|2,0,0]=4 6526 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,0,0,1,0,1|1,0,0]=3 6527 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,0,0,1,0,1|1,0,0]=3 6528 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [0,0,0,1,0,1|2,0,0]=4 6529 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,0,0,1,0,1|1,0,0]=3 6530 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,0,0,1,0,1|1,0,0]=3 6531 B10R1.126 NC(=O)CSCCC1CO1 62a_100000732470_100000747473 [0,0,0,1,0,1|2,0,0]=4 6532 B10R1.126 NC(=O)CSCCC1CO1 62a_100000747473_100000732470 [0,0,0,1,0,1|2,0,0]=4 6533 B10R1.126 NC(=O)NCCNC1CC1 34a_100020590234_100000211595 [0,0,0,1,0,1|2,0,0]=4 6534 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [0,0,0,1,0,1|2,0,0]=4 6535 B10R1.126 NC(=O)NCCSC1CC1 62a_200000034859_100000211595 [0,0,0,1,0,1|2,0,0]=4 6536 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,0,0,1,0,1|2,0,0]=4 6537 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,0,0,1,0,1|2,0,0]=4 6538 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,0,0,1,0,1|0,0,0]=2 6539 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,0,0,1,0,1|1,0,0]=3 6540 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,0,0,1,0,1|1,0,0]=3 6541 B10R1.126 O=C(O)CONCC1CO1 269956a_100000106656_102125554688 [0,0,0,1,0,1|2,0,0]=4 6542 B10R1.126 O=C(O)CONCC1CS1 269956a_100000106656_100000031435 [0,0,0,1,0,1|2,0,0]=4 6543 B10R1.126 O=C(O)CONC[C@@H]1CO1 269956a_100000106656_100000745022 [0,0,0,1,0,1|2,0,0]=4 6544 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,0,0,1,0,1|0,0,1]=3 6545 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,0,0,1,0,1|0,0,1]=3 6546 B10R1.126 O=C([O-])COCC[C@@H]1CO1 34a_100009820653_100020667443 [0,0,0,1,0,1|1,0,1]=4 6547 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,0,0,1,0,1|0,0,1]=3 6548 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,0,0,1,0,1|0,0,1]=3 6549 B10R1.126 O=C([O-])CSCCC1CO1 62a_100000732470_100020667443 [0,0,0,1,0,1|1,0,1]=4 6550 B10R1.126 O=C([O-])CSCCC1CO1 62a_100020667443_100000732470 [0,0,0,1,0,1|1,0,1]=4 6551 B10R1.126 O=[N+]([O-])CCCOC1CC1 34a_200000037920_100000211595 [0,0,0,1,0,1|1,0,1]=4 6552 B10R1.126 O=[N+]([O-])CNCCC1CC1 34a_100000764129_100000761209 [0,0,0,1,0,1|1,0,1]=4 6553 B10R1.126 O=[N+]([O-])COCCC1CC1 34a_100000754188_100000761209 [0,0,0,1,0,1|1,0,1]=4 6554 B10R1.126 O=[N+]([O-])CSCCC1CC1 62a_100000764125_100000761209 [0,0,0,1,0,1|1,0,1]=4 6555 B10R1.128 CC(=O)N1CCCC1(C)C 11a_100000761399_100015343762 [0,0,0,1,0,1|1,0,0]=3 6556 B10R1.128 CC(=O)N1CCCC1(C)C 1626a_100000761399_100015343762 [0,0,0,1,0,1|1,0,0]=3 6557 B10R1.128 CC(=O)N1CCCC1(C)C 240690a_100000761399_100015343762 [0,0,0,1,0,1|1,0,0]=3 6558 B10R1.128 CC(=O)N1CCCC1(C)C 527a_100000761399_100103153847 [0,0,0,1,0,1|1,0,0]=3 6559 B10R1.128 CC(=O)N1CCSC1(C)C 11a_100011217261_100015343762 [0,0,0,1,0,1|2,0,0]=4 6560 B10R1.128 CC(=O)N1CCSC1(C)C 1626a_100011217261_100015343762 [0,0,0,1,0,1|2,0,0]=4 6561 B10R1.128 CC(=O)N1CCSC1(C)C 240690a_100011217261_100015343762 [0,0,0,1,0,1|2,0,0]=4 6562 B10R1.128 CC(=O)N1CCSC1(C)C 527a_100011217261_100103153847 [0,0,0,1,0,1|2,0,0]=4 6563 B10R1.128 CC(=O)N1COCC1(C)C 1626a_100000043020_100015343762 [0,0,0,1,0,1|2,0,0]=4 6564 B10R1.128 CC(=O)N1COCC1(C)C 240690a_100000043020_100015343762 [0,0,0,1,0,1|2,0,0]=4 6565 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_200000210301 [0,0,0,1,0,1|2,0,0]=4 6566 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[13CH3])C 1458a_100016991750_200025704644 [0,0,0,1,0,1|2,0,0]=4 6567 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,0,0,1,0,1|0,0,0]=2 6568 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,1,0,0|1,0,1]=4 6569 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|1,0,0]=3 6570 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|2,0,0]=4 6571 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,1,0,0|2,0,0]=4 6572 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|2,0,0]=4 6573 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|2,0,0]=4 6574 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|1,0,0]=3 6575 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,1,0,0|1,0,1]=4 6576 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6577 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6578 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6579 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,1,0,0|1,0,0]=3 6580 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,1,0,0|2,0,0]=4 6581 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|1,0,0]=3 6582 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|2,0,0]=4 6583 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6584 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6585 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6586 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,1,0,0|1,0,0]=3 6587 B10R1.14 C=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_200121576911 [0,1,0,1,0,0|2,0,0]=4 6588 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|2,0,0]=4 6589 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,1,0,1,0,0|2,0,0]=4 6590 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 6591 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 6592 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 6593 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,1,0,0|1,0,1]=4 6594 B10R1.14 CN1CCC(C1)C(=O)CF 1458a_100000739633_100015361967 [0,1,0,1,0,0|2,0,0]=4 6595 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 6596 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 6597 B10R1.14 CNC(=O)C1CCN(C1)C 2230a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 6598 B10R1.14 CNC(=O)C1CCN(C1)C 240690a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 6599 B10R1.14 CNC(=O)C1CCN(C1)C 269982a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 6600 B10R1.14 CNC(=O)C1CCN(C1)C 34a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 6601 B10R1.14 CNC(=O)C1CCN(C1)C 527a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 6602 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 2230a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 6603 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 269982a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 6604 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 34a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 6605 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 6606 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 6607 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,1,0,1,0,0|1,0,1]=4 6608 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,1,0,1,0,0|1,0,1]=4 6609 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,1,0,1,0,0|1,0,1]=4 6610 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,1,0,1,0,0|1,0,1]=4 6611 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,1,0,0|1,0,0]=3 6612 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,1,0,0|1,0,0]=3 6613 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,1,0,0|1,0,0]=3 6614 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,1,0,0|1,0,0]=3 6615 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|1,0,0]=3 6616 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|1,0,0]=3 6617 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|2,0,0]=4 6618 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 6619 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 6620 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,1,0,1,0,0|2,0,0]=4 6621 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,1,0,1,0,0|2,0,0]=4 6622 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,1,0,0|1,0,1]=4 6623 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,1,0,1,0,0|2,0,0]=4 6624 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,1,0,1,0,0|2,0,0]=4 6625 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,1,0,1,0,0|2,0,0]=4 6626 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,1,0,1,0,0|2,0,0]=4 6627 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,1,0,1,0,0|2,0,0]=4 6628 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,1,0,1,0,0|2,0,0]=4 6629 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,1,0,1,0,0|2,0,0]=4 6630 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,1,0,1,0,0|2,0,0]=4 6631 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,1,0,1,0,0|2,0,0]=4 6632 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,1,0,1,0,0|2,0,0]=4 6633 B10R1.31 CN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200000210301 [0,1,0,1,0,0|0,0,2]=4 6634 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|0,0,0]=2 6635 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 6636 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 6637 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 6638 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,1,0,1,0,0|2,0,0]=4 6639 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,1,0,1,0,0|2,0,0]=4 6640 B10R1.31 NC(=O)C1CCN(C1)CF 269982a_100000752358_100015361967 [0,1,0,1,0,0|2,0,0]=4 6641 B10R1.31 NC(=O)C1CCN(C1)CF 34a_100000752358_100015361967 [0,1,0,1,0,0|2,0,0]=4 6642 B10R1.31 [13CH3]N[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_200025704644 [0,1,0,1,0,0|0,0,2]=4 6643 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|0,0,0]=2 6644 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|2,0,0]=4 6645 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,1,0,0|2,0,0]=4 6646 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,1,0,0|2,0,0]=4 6647 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,1,0,0|2,0,0]=4 6648 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,1,0,0|2,0,0]=4 6649 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,1,0,1,0,0|2,0,0]=4 6650 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,1,0,1,0,0|2,0,0]=4 6651 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 6652 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 6653 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|2,0,0]=4 6654 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|2,0,0]=4 6655 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,1,0,1,0,0|2,0,0]=4 6656 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,1,0,1,0,0|2,0,0]=4 6657 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,1,0,1,0,0|2,0,0]=4 6658 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|2,0,0]=4 6659 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,1,0,1,0,0|2,0,0]=4 6660 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|2,0,0]=4 6661 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|2,0,0]=4 6662 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,1,0,1,0,0|2,0,0]=4 6663 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,1,0,1,0,0|2,0,0]=4 6664 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,1,0,1,0,0|2,0,0]=4 6665 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,1,0,1,0,0|2,0,0]=4 6666 B10R1.127 NC(=O)CCNC1COC1 2230a_100016991112_100000744528 [0,1,0,1,0,0|2,0,0]=4 6667 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,1,0,1,0,0|2,0,0]=4 6668 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,1,0,1,0,0|2,0,0]=4 6669 B10R1.127 NC(=O)CCOC1COC1 34a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 6670 B10R1.127 NC(=O)CCOC1COC1 7a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 6671 B10R1.127 NC(=O)CCOC1CSC1 7a_100000072292_100000744528 [0,1,0,1,0,0|2,0,0]=4 6672 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,1,0,1,0,0|2,0,0]=4 6673 B10R1.127 NC(=O)CCSC1COC1 62a_100000744528_100009818527 [0,1,0,1,0,0|2,0,0]=4 6674 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,1,0,1,0,0|2,0,0]=4 6675 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,1,0,1,0,0|2,0,0]=4 6676 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,1,0,1,0,0|2,0,0]=4 6677 B10R1.127 NC(=O)CNCC1CCO1 2230a_100000711301_100000103362 [0,1,0,1,0,0|2,0,0]=4 6678 B10R1.127 NC(=O)CNCC1COC1 2230a_100000711301_100010264016 [0,1,0,1,0,0|2,0,0]=4 6679 B10R1.127 NC(=O)CNCC1COC1 2230a_100015281925_100000747473 [0,1,0,1,0,0|2,0,0]=4 6680 B10R1.127 NC(=O)CNCC1COC1 34a_100015281925_100000187820 [0,1,0,1,0,0|2,0,0]=4 6681 B10R1.127 NC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747473 [0,1,0,1,0,0|2,0,0]=4 6682 B10R1.127 NC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000187820 [0,1,0,1,0,0|2,0,0]=4 6683 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,1,0,1,0,0|2,0,0]=4 6684 B10R1.127 NC(=O)COCC1CCO1 34a_100000039022_100000187820 [0,1,0,1,0,0|2,0,0]=4 6685 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [0,1,0,1,0,0|2,0,0]=4 6686 B10R1.127 NC(=O)COCC1COC1 34a_100000060846_100000187820 [0,1,0,1,0,0|2,0,0]=4 6687 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,1,0,1,0,0|2,0,0]=4 6688 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,1,0,1,0,0|2,0,0]=4 6689 B10R1.127 NC(=O)CSCC1CCO1 62a_100000103362_100000747473 [0,1,0,1,0,0|2,0,0]=4 6690 B10R1.127 NC(=O)CSCC1CCO1 62a_100000747473_100000103362 [0,1,0,1,0,0|2,0,0]=4 6691 B10R1.127 NC(=O)CSCC1COC1 62a_100000747473_100010264016 [0,1,0,1,0,0|2,0,0]=4 6692 B10R1.127 NC(=O)CSCC1COC1 62a_100010264016_100000747473 [0,1,0,1,0,0|2,0,0]=4 6693 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,1,0,1,0,0|1,0,0]=3 6694 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,1,0,1,0,0|1,0,0]=3 6695 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,1,0,1,0,0|1,0,0]=3 6696 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,1,0,1,0,0|2,0,0]=4 6697 B10R1.127 O=C(O)CONC1COC1 269956a_100000106656_100009818527 [0,1,0,1,0,0|2,0,0]=4 6698 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,1,0,1,0,0|1,0,1]=4 6699 B10R1.127 O=C([O-])CNCC1COC1 34a_100015281925_100020667443 [0,1,0,1,0,0|1,0,1]=4 6700 B10R1.127 O=C([O-])CNC[C@@H]1CCO1 34a_100020831831_100020667443 [0,1,0,1,0,0|1,0,1]=4 6701 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,1,0,1,0,0|1,0,1]=4 6702 B10R1.127 O=C([O-])COCC1CCO1 34a_100000039022_100020667443 [0,1,0,1,0,0|1,0,1]=4 6703 B10R1.127 O=C([O-])COCC1CNC1 34a_100016987283_100020667443 [0,1,0,1,0,0|1,0,1]=4 6704 B10R1.127 O=C([O-])COCC1COC1 34a_100000060846_100020667443 [0,1,0,1,0,0|1,0,1]=4 6705 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,1,0,1,0,0|1,0,1]=4 6706 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,1,0,1,0,0|1,0,1]=4 6707 B10R1.127 O=C([O-])CSCC1CCO1 62a_100000103362_100020667443 [0,1,0,1,0,0|1,0,1]=4 6708 B10R1.127 O=C([O-])CSCC1CCO1 62a_100020667443_100000103362 [0,1,0,1,0,0|1,0,1]=4 6709 B10R1.127 O=C([O-])CSCC1COC1 62a_100010264016_100020667443 [0,1,0,1,0,0|1,0,1]=4 6710 B10R1.127 O=C([O-])CSCC1COC1 62a_100020667443_100010264016 [0,1,0,1,0,0|1,0,1]=4 6711 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [0,1,0,1,0,0|2,0,0]=4 6712 B10R1.150 CCC(C)SC1CC(=O)C1 62a_100009894365_100000758301 [0,1,0,1,0,0|2,0,0]=4 6713 B10R1.150 CCN(C)CC1CC(=O)C1 2230a_100000225621_100009874392 [0,1,0,1,0,0|2,0,0]=4 6714 B10R1.150 CCN(C)CC1CC(=O)C1 269982a_100000225621_100009874392 [0,1,0,1,0,0|2,0,0]=4 6715 B10R1.150 CN1CC(C1)NC(=O)CO 240690a_100015196640_100000210174 [0,1,0,1,0,0|2,0,0]=4 6716 B10R1.150 CNC(=O)CN1CC(C1)C 2230a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 6717 B10R1.150 CNC(=O)CN1CC(C1)C 269982a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 6718 B10R1.150 CNC(=O)CN1CC(C1)C 34a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 6719 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [0,1,0,1,0,0|1,0,0]=3 6720 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [0,1,0,1,0,0|1,0,0]=3 6721 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [0,1,0,1,0,0|1,0,0]=3 6722 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [0,1,0,1,0,0|1,0,0]=3 6723 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [0,1,0,1,0,0|1,0,0]=3 6724 B10R1.150 COC(=O)CN1CC(C1)F 2230a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 6725 B10R1.150 COC(=O)CN1CC(C1)F 269982a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 6726 B10R1.150 COC(=O)CN1CC(C1)F 34a_100000690557_100000747449 [0,1,0,1,0,0|2,0,0]=4 6727 B10R1.150 COC(=O)CN1CC(C1)O 269982a_100000749847_100000747449 [0,1,0,1,0,0|2,0,0]=4 6728 B10R1.150 COC(C)SC1CC(=O)C1 62a_100009894365_100009879195 [0,1,0,1,0,0|2,0,0]=4 6729 B10R1.150 C[C@H](CO)SC1CC(=O)C1 62a_100009894365_100016084084 [0,1,0,1,0,0|2,0,0]=4 6730 B10R1.150 O=C(CO)CC1CC(=O)C1 1458a_100000210174_100009874392 [0,1,0,1,0,0|1,0,1]=4 6731 B10R1.150 O=C(CO)NC1CC(C1)F 240690a_100016993743_100000210174 [0,1,0,1,0,0|2,0,0]=4 6732 B10R1.150 O=C(CO)NC1CC(C1)F 527a_100016993743_100000210174 [0,1,0,1,0,0|2,0,0]=4 6733 B10R1.150 O=C(CO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210174 [0,1,0,1,0,0|2,0,0]=4 6734 B10R1.150 O=C(CO)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210174 [0,1,0,1,0,0|2,0,0]=4 6735 B10R1.153 C#CC(=O)CCCC1CO1 1458a_100000211873_100000733510 [0,1,0,1,0,0|2,0,0]=4 6736 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,1,0,1,0,0|2,0,0]=4 6737 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,1,0,1,0,0|2,0,0]=4 6738 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,1,0,1,0,0|2,0,0]=4 6739 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|2,0,0]=4 6740 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|2,0,0]=4 6741 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|2,0,0]=4 6742 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|2,0,0]=4 6743 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|2,0,0]=4 6744 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 6745 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 6746 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 6747 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,1,0,1,0,0|2,0,0]=4 6748 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,1,0,1,0,0|2,0,0]=4 6749 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,1,0,1,0,0|2,0,0]=4 6750 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,1,0,1,0,0|2,0,0]=4 6751 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|2,0,0]=4 6752 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|2,0,0]=4 6753 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|2,0,0]=4 6754 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|2,0,0]=4 6755 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|2,0,0]=4 6756 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|2,0,0]=4 6757 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|2,0,0]=4 6758 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 6759 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 6760 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 6761 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|2,0,0]=4 6762 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|2,0,0]=4 6763 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|2,0,0]=4 6764 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|2,0,0]=4 6765 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|2,0,0]=4 6766 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|2,0,0]=4 6767 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|2,0,0]=4 6768 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|2,0,0]=4 6769 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|1,0,0]=3 6770 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|1,0,0]=3 6771 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 6772 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 6773 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|1,0,0]=3 6774 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|2,0,0]=4 6775 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|1,0,0]=3 6776 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|1,0,0]=3 6777 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|2,0,0]=4 6778 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|2,0,0]=4 6779 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|2,0,0]=4 6780 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|2,0,0]=4 6781 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|2,0,0]=4 6782 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|2,0,0]=4 6783 B10R1.153 NC(=NO)CCOC1CC1 34a_100000749954_100000211595 [0,1,0,1,0,0|2,0,0]=4 6784 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,1,0,1,0,0|2,0,0]=4 6785 B10R1.153 O=C(CO)CC#CC1CC1 1458a_100000210174_100009895102 [0,1,0,1,0,0|0,0,2]=4 6786 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,0]=3 6787 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 6788 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 6789 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,1,0,1,0,0|2,0,0]=4 6790 B10R1.168 CC(=O)NC1CC(C1)CO 240690a_100000095622_100015343762 [0,1,0,1,0,0|2,0,0]=4 6791 B10R1.168 CC(=O)NC1CC(C1)CO 527a_100000095622_100103153847 [0,1,0,1,0,0|2,0,0]=4 6792 B10R1.168 CCC1CN(C1)CC(=O)N 2230a_100015205115_100000747473 [0,1,0,1,0,0|2,0,0]=4 6793 B10R1.168 CCC1CN(C1)CC(=O)N 269982a_100015205115_100000187820 [0,1,0,1,0,0|2,0,0]=4 6794 B10R1.168 CCC1CN(C1)CC(=O)[O-] 269982a_100015205115_100020667443 [0,1,0,1,0,0|1,0,1]=4 6795 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [0,1,0,1,0,0|1,0,0]=3 6796 B10R1.168 COC1CN(C1)CC(=O)N 269982a_100000755009_100000187820 [0,1,0,1,0,0|2,0,0]=4 6797 B10R1.168 COC1CN(C1)CC(=O)[O-] 269982a_100000755009_100020667443 [0,1,0,1,0,0|1,0,1]=4 6798 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 6799 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 6800 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 6801 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,1,0,1,0,0|2,0,0]=4 6802 B10R1.168 CSC1CN(C1)CC(=O)N 269982a_100016990038_100000187820 [0,1,0,1,0,0|2,0,0]=4 6803 B10R1.168 CSC1CN(C1)CC(=O)[O-] 269982a_100016990038_100020667443 [0,1,0,1,0,0|1,0,1]=4 6804 B10R1.168 NC(=O)CN1CC(C1)CF 269982a_100010363649_100000187820 [0,1,0,1,0,0|2,0,0]=4 6805 B10R1.168 NC(=O)CN1CC(C1)CF 34a_100010363649_100000187820 [0,1,0,1,0,0|2,0,0]=4 6806 B10R1.168 NC(=O)CN1CC(C1)CO 269982a_100016987283_100000187820 [0,1,0,1,0,0|2,0,0]=4 6807 B10R1.168 NC(=O)CN1CC(C1)CO 34a_100016987283_100000187820 [0,1,0,1,0,0|2,0,0]=4 6808 B10R1.168 O=C(O)CC1CN(C1)CF 269956a_100016993960_100015361967 [0,1,0,1,0,0|1,0,0]=3 6809 B10R1.168 O=C([O-])CN1CC(C1)CF 269982a_100010363649_100020667443 [0,1,0,1,0,0|1,0,1]=4 6810 B10R1.168 O=C([O-])CN1CC(C1)CF 34a_100010363649_100020667443 [0,1,0,1,0,0|1,0,1]=4 6811 B10R1.168 O=C([O-])CN1CC(C1)CO 269982a_100016987283_100020667443 [0,1,0,1,0,0|1,0,1]=4 6812 B10R1.168 O=C([O-])CN1CC(C1)CO 34a_100016987283_100020667443 [0,1,0,1,0,0|1,0,1]=4 6813 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [0,1,0,1,0,0|1,0,1]=4 6814 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [0,1,0,1,0,0|1,0,1]=4 6815 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,1,0,1,0,0|2,0,0]=4 6816 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 6817 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 6818 B10R1.350 CC(=O)CCOC1(CC1)C 7a_100011725673_100000053229 [0,1,0,1,0,0|2,0,0]=4 6819 B10R1.350 CC(=O)COCC1(CO1)C 34a_100000211253_100000760498 [0,1,0,1,0,0|2,0,0]=4 6820 B10R1.350 CC1(CC1)CNCC(=O)N 2230a_100000766693_100000747473 [0,1,0,1,0,0|2,0,0]=4 6821 B10R1.350 CC1(CC1)COCC(=O)N 7a_100000698024_100000187820 [0,1,0,1,0,0|2,0,0]=4 6822 B10R1.350 CC1(CC1)NCCC(=O)N 2230a_100000757604_100000744528 [0,1,0,1,0,0|2,0,0]=4 6823 B10R1.350 CC1(CC1)OCCC(=O)N 7a_100011725673_100000744528 [0,1,0,1,0,0|2,0,0]=4 6824 B10R1.350 CC1(CO1)CNCC(=O)O 269956a_100016091260_100000760498 [0,1,0,1,0,0|1,0,0]=3 6825 B10R1.350 CC1(CO1)CSCC(=O)N 62a_100000747473_100000760498 [0,1,0,1,0,0|2,0,0]=4 6826 B10R1.350 CC1(CO1)CSCC(=O)N 62a_100000760498_100000747473 [0,1,0,1,0,0|2,0,0]=4 6827 B10R1.350 CC1(CO1)CSCC(=O)[O-] 62a_100000760498_100020667443 [0,1,0,1,0,0|1,0,1]=4 6828 B10R1.350 CC1(CO1)CSCC(=O)[O-] 62a_100020667443_100000760498 [0,1,0,1,0,0|1,0,1]=4 6829 B10R1.350 NC(=O)CNCC1(CC1)O 2230a_100011936951_100000747473 [0,1,0,1,0,0|2,0,0]=4 6830 B10R1.350 NC(=O)COCC1(CC1)F 34a_200000703853_100000187820 [0,1,0,1,0,0|2,0,0]=4 6831 B10R1.350 NC(=O)COCC1(CC1)F 7a_200000703853_100000187820 [0,1,0,1,0,0|2,0,0]=4 6832 B10R1.350 O=C([O-])COCC1(CC1)F 34a_200000703853_100020667443 [0,1,0,1,0,0|1,0,1]=4 6833 B10R1.408 COC(=O)C1CC1C(=O)C 1458a_100000750770_200000210301 [0,1,0,1,0,0|1,0,1]=4 6834 B10R1.408 COC(=O)C1CC1C(=O)[13CH3] 1458a_100000750770_200025704644 [0,1,0,1,0,0|1,0,1]=4 6835 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,1,0,1,0,0|1,0,0]=3 6836 B10R1.428 O=C(CO)CC1CC1(F)F 1458a_100000210174_100009817841 [0,1,0,1,0,0|2,0,0]=4 6837 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,1,0,1,0,0|2,0,0]=4 6838 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,1,0,1,0,0|2,0,0]=4 6839 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,1,0,1,0,0|2,0,0]=4 6840 B10R1.81 CC(=O)C(C)N1CC(C1)C 2230a_100000702820_100009814033 [0,1,0,1,0,0|2,0,0]=4 6841 B10R1.81 CC(=O)C(C)N1CC(C1)C 269982a_100000702820_100009814033 [0,1,0,1,0,0|2,0,0]=4 6842 B10R1.81 CC(C)C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210206 [0,1,0,1,0,0|1,0,1]=4 6843 B10R1.81 CC(C)N(C)C1CC(=O)C1 269982a_200000211004_100009894365 [0,1,0,1,0,0|2,0,0]=4 6844 B10R1.81 CC1CN(C1)C(C)C(=O)N 2230a_100000702820_100000702099 [0,1,0,1,0,0|2,0,0]=4 6845 B10R1.81 CC1CN(C1)C(C)C(=O)N 269982a_100000702820_100000184083 [0,1,0,1,0,0|2,0,0]=4 6846 B10R1.81 CC1CN(C1)C(C)C(=O)N 34a_100000702820_100000702099 [0,1,0,1,0,0|2,0,0]=4 6847 B10R1.81 CC1CN(C1)C(F)C(=O)N 2230a_100000702820_100009813875 [0,1,0,1,0,0|2,0,0]=4 6848 B10R1.81 CC1CN(C1)C(F)C(=O)N 269982a_100000702820_100009813875 [0,1,0,1,0,0|2,0,0]=4 6849 B10R1.81 CC1CN(C1)C(F)C(=O)N 34a_100000702820_100009813875 [0,1,0,1,0,0|2,0,0]=4 6850 B10R1.81 CC1CN(C1)C(F)C(=O)[O-] 34a_100000702820_100020610796 [0,1,0,1,0,0|1,0,1]=4 6851 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,1,0,1,0,0|2,0,0]=4 6852 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,1,0,1,0,0|2,0,0]=4 6853 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,1,0,1,0,0|2,0,0]=4 6854 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,1,0,1,0,0|2,0,0]=4 6855 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,1,0,1,0,0|2,0,0]=4 6856 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,1,0,1,0,0|1,0,0]=3 6857 B10R1.205 CC(NCC1CC1)C(=O)N 2230a_100000735609_100000702099 [0,1,0,1,0,0|2,0,0]=4 6858 B10R1.205 CC(NCC1CC1)C(=O)N 34a_100000735609_100000702099 [0,1,0,1,0,0|2,0,0]=4 6859 B10R1.205 CC(OCC1CC1)C(=O)N 34a_100000211283_100000702099 [0,1,0,1,0,0|2,0,0]=4 6860 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000702099_100000742324 [0,1,0,1,0,0|2,0,0]=4 6861 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000756562_100000702099 [0,1,0,1,0,0|2,0,0]=4 6862 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 2230a_100000119354_100000742324 [0,1,0,1,0,0|2,0,0]=4 6863 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 34a_100000119354_100000742324 [0,1,0,1,0,0|2,0,0]=4 6864 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 34a_100000731257_100000742324 [0,1,0,1,0,0|2,0,0]=4 6865 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 7a_100000731257_100000742324 [0,1,0,1,0,0|2,0,0]=4 6866 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,1,0,1,0,0|1,0,0]=3 6867 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,1,0,1,0,0|2,0,0]=4 6868 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,1,0,1,0,0|2,0,0]=4 6869 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,1,0,1,0,0|2,0,0]=4 6870 B10R1.205 C[C@H](OCC1CC1)C(=O)[O-] 7a_217856618621_100000742324 [0,1,0,1,0,0|1,0,1]=4 6871 B10R1.205 NC(=O)C(F)NCC1CC1 2230a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 6872 B10R1.205 NC(=O)C(F)NCC1CC1 34a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 6873 B10R1.205 NC(=O)C(F)OCC1CC1 34a_100000211283_100009813875 [0,1,0,1,0,0|2,0,0]=4 6874 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100000756562_100009813875 [0,1,0,1,0,0|2,0,0]=4 6875 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100009813875_100000742324 [0,1,0,1,0,0|2,0,0]=4 6876 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,1,0,1,0,0|2,0,0]=4 6877 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,1,0,1,0,0|1,0,0]=3 6878 B10R1.205 O=C([O-])C(F)NCC1CC1 34a_100000735609_100020610796 [0,1,0,1,0,0|1,0,1]=4 6879 B10R1.205 O=C([O-])C(F)OCC1CC1 34a_100000211283_100020610796 [0,1,0,1,0,0|1,0,1]=4 6880 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100000756562_100020610796 [0,1,0,1,0,0|1,0,1]=4 6881 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100020610796_100000742324 [0,1,0,1,0,0|1,0,1]=4 6882 B10R1.211 CC(=O)CCN(C)C1CC1 269982a_100000226674_100000053229 [0,1,0,1,0,0|2,0,0]=4 6883 B10R1.211 CC(=O)COC(C)C1CC1 1458a_200000137917_200000210301 [0,1,0,1,0,0|2,0,0]=4 6884 B10R1.211 CC(=O)NCC(O)C1CC1 11a_100000751198_100015343762 [0,1,0,1,0,0|2,0,0]=4 6885 B10R1.211 CC(=O)NCC(O)C1CC1 240690a_100000751198_100015343762 [0,1,0,1,0,0|2,0,0]=4 6886 B10R1.211 CC(=O)NCC(O)C1CC1 527a_100000751198_100103153847 [0,1,0,1,0,0|2,0,0]=4 6887 B10R1.211 CC(NCC(=O)N)C1CC1 2230a_100000700016_100000747473 [0,1,0,1,0,0|2,0,0]=4 6888 B10R1.211 CC(NCC(=O)N)C1CC1 34a_100000700016_100000187820 [0,1,0,1,0,0|2,0,0]=4 6889 B10R1.211 CC(NCC(=O)[O-])C1CC1 34a_100000700016_100020667443 [0,1,0,1,0,0|1,0,1]=4 6890 B10R1.211 CC(OCC(=O)N)C1CC1 34a_100000744524_100000187820 [0,1,0,1,0,0|2,0,0]=4 6891 B10R1.211 CC(OCC(=O)N)C1CC1 7a_100000744524_100000187820 [0,1,0,1,0,0|2,0,0]=4 6892 B10R1.211 CC(OCC(=O)[13CH3])C1CC1 1458a_200000137917_200025704644 [0,1,0,1,0,0|2,0,0]=4 6893 B10R1.211 CC(OCC(=O)[O-])C1CC1 34a_100000744524_100020667443 [0,1,0,1,0,0|1,0,1]=4 6894 B10R1.211 CN(CCC(=O)N)C1CC1 2230a_100000226674_100000744528 [0,1,0,1,0,0|2,0,0]=4 6895 B10R1.211 CN(CCC(=O)N)C1CC1 269982a_100000226674_100000744528 [0,1,0,1,0,0|2,0,0]=4 6896 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 6897 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 6898 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 6899 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 6900 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 6901 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 6902 B10R1.349 CC(=O)C1CN(C1)C(C)C 1458a_100011935012_200000210301 [0,1,0,1,0,0|2,0,0]=4 6903 B10R1.349 CC(C)N1CC(C1)C(=O)N 34a_100025753142_100000210206 [0,1,0,1,0,0|2,0,0]=4 6904 B10R1.349 CC(C)N1CC(C1)C(=O)[13CH3] 1458a_100011935012_200025704644 [0,1,0,1,0,0|2,0,0]=4 6905 B10R1.359 CC(=O)C1CCC(C1)(F)F 1458a_100000696201_200000210301 [0,1,0,1,0,0|2,0,0]=4 6906 B10R1.359 CC(=O)C1COC(O1)(C)C 1458a_100015188449_200000210301 [0,1,0,1,0,0|2,0,0]=4 6907 B10R1.359 CC(=O)N1CCC(C1)(C)C 11a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 6908 B10R1.359 CC(=O)N1CCC(C1)(C)C 1626a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 6909 B10R1.359 CC(=O)N1CCC(C1)(C)C 240690a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 6910 B10R1.359 CC(=O)N1CCC(C1)(C)C 527a_100000764714_100103153847 [0,1,0,1,0,0|2,0,0]=4 6911 B10R1.359 CC(=O)N1CCC(C1)(C)O 11a_100000718628_100015343762 [0,1,0,1,0,0|2,0,0]=4 6912 B10R1.359 CC(=O)N1CCC(C1)(C)O 240690a_100000718628_100015343762 [0,1,0,1,0,0|2,0,0]=4 6913 B10R1.359 CC(=O)N1CCC(C1)(C)O 527a_100000718628_100103153847 [0,1,0,1,0,0|2,0,0]=4 6914 B10R1.359 CC1(OCC(O1)C(=O)[13CH3])C 1458a_100015188449_200025704644 [0,1,0,1,0,0|2,0,0]=4 6915 B10R1.359 [13CH3]C(=O)C1CCC(C1)(F)F 1458a_100000696201_200025704644 [0,1,0,1,0,0|2,0,0]=4 6916 B10R1.470 CC(=O)C1(CCN(C1)C)C 1458a_100011814562_200000210301 [0,1,0,1,0,0|2,0,0]=4 6917 B10R1.470 CN1CCC(C1)(C)C(=O)[13CH3] 1458a_100011814562_200025704644 [0,1,0,1,0,0|2,0,0]=4 6918 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,1,0,1,0,0|2,0,0]=4 6919 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|2,0,0]=4 6920 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,1,0,1,0,0|2,0,0]=4 6921 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|2,0,0]=4 6922 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,1,0,1,0,0|1,0,1]=4 6923 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,1,0,1,0,0|0,0,2]=4 6924 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,1,0,1,0,0|2,0,0]=4 6925 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000739694_100000742324 [0,1,0,1,0,0|2,0,0]=4 6926 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000741881_100000747473 [0,1,0,1,0,0|2,0,0]=4 6927 B10R1.268 CN(CC(=O)N)CC1CC1 269982a_100000741881_100000187820 [0,1,0,1,0,0|2,0,0]=4 6928 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,1,0,1,0,0|1,0,0]=3 6929 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [0,1,0,1,0,0|2,0,0]=4 6930 B10R1.268 CN(CC(=O)O)CC1CS1 269956a_100000746989_100000031435 [0,1,0,1,0,0|2,0,0]=4 6931 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [0,1,0,1,0,0|2,0,0]=4 6932 B10R1.268 CN(CC(=O)[O-])CC1CC1 269982a_100000741881_100020667443 [0,1,0,1,0,0|1,0,1]=4 6933 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,1,0,1,0,0|1,0,1]=4 6934 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,1,0,1,0,0|1,0,1]=4 6935 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,1,0,1,0,0|0,0,2]=4 6936 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,1,0,1,0,0|2,0,0]=4 6937 B10R1.371 CC(=O)CC1CC(C1)(F)F 1458a_100000070787_100009886855 [0,1,0,1,0,0|2,0,0]=4 6938 B10R1.371 CC(=O)CC1CC(C1)(F)F 1458a_100010381176_200000210301 [0,1,0,1,0,0|2,0,0]=4 6939 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100015343762 [0,1,0,1,0,0|2,0,0]=4 6940 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100015343762 [0,1,0,1,0,0|2,0,0]=4 6941 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100015343762 [0,1,0,1,0,0|2,0,0]=4 6942 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 527a_100121572536_100103153847 [0,1,0,1,0,0|2,0,0]=4 6943 B10R1.371 CC1(CN(C1)CC(=O)N)C 2230a_100000753659_100000747473 [0,1,0,1,0,0|2,0,0]=4 6944 B10R1.371 CC1(CN(C1)CC(=O)N)C 269982a_100000753659_100000187820 [0,1,0,1,0,0|2,0,0]=4 6945 B10R1.371 CC1(CN(C1)CC(=O)N)F 2230a_100000696199_100000747473 [0,1,0,1,0,0|2,0,0]=4 6946 B10R1.371 CC1(CN(C1)CC(=O)N)F 269982a_100000696199_100000187820 [0,1,0,1,0,0|2,0,0]=4 6947 B10R1.371 CC1(CN(C1)CC(=O)N)O 2230a_100000718560_100000747473 [0,1,0,1,0,0|2,0,0]=4 6948 B10R1.371 CC1(CN(C1)CC(=O)N)O 269982a_100000718560_100000187820 [0,1,0,1,0,0|2,0,0]=4 6949 B10R1.371 CC1(CN(C1)CC(=O)[O-])C 269982a_100000753659_100020667443 [0,1,0,1,0,0|1,0,1]=4 6950 B10R1.371 CC1(CN(C1)CC(=O)[O-])F 269982a_100000696199_100020667443 [0,1,0,1,0,0|1,0,1]=4 6951 B10R1.371 CC1(CN(C1)CC(=O)[O-])O 269982a_100000718560_100020667443 [0,1,0,1,0,0|1,0,1]=4 6952 B10R1.371 [13CH3]C(=O)CC1CC(C1)(F)F 1458a_100010381176_200025704644 [0,1,0,1,0,0|2,0,0]=4 6953 B10R1.112 CC(C)(C)SC1CC(=O)C1 62a_100009894365_100000211941 [0,1,0,1,0,0|2,0,0]=4 6954 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6955 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6956 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 6957 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,2,0,0|2,0,0]=4 6958 B10R2.267 O=C1CC(C1)SC2CC2 62a_100009894365_100000211595 [0,0,0,2,0,0|2,0,0]=4 6959 B10R2.365 CC(=O)NC12CC(C1)C2 11a_100016993715_100015343762 [0,0,0,2,0,0|2,0,0]=4 6960 B10R2.365 CC(=O)NC12CC(C1)C2 1626a_100016993715_100015343762 [0,0,0,2,0,0|2,0,0]=4 6961 B10R2.365 CC(=O)NC12CC(C1)C2 240690a_100016993715_100015343762 [0,0,0,2,0,0|2,0,0]=4 6962 B10R2.365 CC(=O)NC12CC(C1)C2 527a_100016993715_100103153847 [0,0,0,2,0,0|2,0,0]=4 6963 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,2,0|1,0,0]=3 6964 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,2,0|1,0,0]=3 6965 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,2,0|2,0,0]=4 6966 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,2,0|2,0,0]=4 6967 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,2,0|2,0,0]=4 6968 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,2,0|2,0,0]=4 6969 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,2,0|2,0,0]=4 6970 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,2,0|2,0,0]=4 6971 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,2,0|2,0,0]=4 6972 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,2,0|2,0,0]=4 6973 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,2,0|1,0,0]=3 6974 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,2,0|2,0,0]=4 6975 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,2,0|2,0,0]=4 6976 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,2,0|2,0,0]=4 6977 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,2,0|1,0,0]=3 6978 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,2,0|2,0,0]=4 6979 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,2,0|1,0,1]=4 6980 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,2,0|2,0,0]=4 6981 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,2,0|1,0,0]=3 6982 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,2,0|2,0,0]=4 6983 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,2,0|2,0,0]=4 6984 B10R0.97 C=C(Br)CCOCCC(C)C 34a_100009813270_100000210312 [0,0,0,0,0,2|2,0,0]=4 6985 B10R0.97 C=C(Br)CCOCOC(C)C 34a_100009813270_100000709892 [0,0,0,0,0,2|2,0,0]=4 6986 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,0,0,0,0,2|0,0,2]=4 6987 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,0,0,0,0,2|2,0,0]=4 6988 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,0,0,0,0,2|2,0,0]=4 6989 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,0,0,0,0,2|2,0,0]=4 6990 B10R0.97 C=C(C)CCOCOC(C)C 34a_100000764851_100000709892 [0,0,0,0,0,2|2,0,0]=4 6991 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,0,0,0,0,2|2,0,0]=4 6992 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,0,0,0,0,2|2,0,0]=4 6993 B10R0.97 C=C(C)CCSCOC(C)C 62a_100000709892_100000730704 [0,0,0,0,0,2|2,0,0]=4 6994 B10R0.97 C=C(C)CCSCOC(C)C 62a_100000730704_100000709892 [0,0,0,0,0,2|2,0,0]=4 6995 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,0,0,0,0,2|2,0,0]=4 6996 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,0,0,0,0,2|2,0,0]=4 6997 B10R0.97 C=C(C)CNCCOC(C)C 2230a_100000701111_100000748629 [0,0,0,0,0,2|2,0,0]=4 6998 B10R0.97 C=C(C)CNCCOC(C)C 34a_100000701111_100000748629 [0,0,0,0,0,2|2,0,0]=4 6999 B10R0.97 C=C(C)CNCCSC(C)C 2230a_100000731138_100000748629 [0,0,0,0,0,2|2,0,0]=4 7000 B10R0.97 C=C(C)CNCCSC(C)C 34a_100000731138_100000748629 [0,0,0,0,0,2|2,0,0]=4 7001 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,0,0,0,0,2|2,0,0]=4 7002 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,0,0,0,0,2|2,0,0]=4 7003 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,0,0,0,0,2|2,0,0]=4 7004 B10R0.97 C=C(C)COCCNC(C)C 34a_100000224655_100000748629 [0,0,0,0,0,2|2,0,0]=4 7005 B10R0.97 C=C(C)COCCOC(C)C 34a_100000210245_100000211751 [0,0,0,0,0,2|2,0,0]=4 7006 B10R0.97 C=C(C)COCCOC(C)C 34a_100000211219_100000748629 [0,0,0,0,0,2|2,0,0]=4 7007 B10R0.97 C=C(C)COCCOC(C)C 7a_100000211219_100000748629 [0,0,0,0,0,2|2,0,0]=4 7008 B10R0.97 C=C(C)COCCSC(C)C 34a_100000210245_100000730970 [0,0,0,0,0,2|2,0,0]=4 7009 B10R0.97 C=C(C)COCCSC(C)C 34a_200011212901_100000748629 [0,0,0,0,0,2|2,0,0]=4 7010 B10R0.97 C=C(C)COCCSC(C)C 7a_200011212901_100000748629 [0,0,0,0,0,2|2,0,0]=4 7011 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,0,0,0,0,2|2,0,0]=4 7012 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,0,0,0,0,2|2,0,0]=4 7013 B10R0.97 C=C(C)CSCCOC(C)C 62a_100000211751_100000211660 [0,0,0,0,0,2|2,0,0]=4 7014 B10R0.97 C=C(C)CSCCOC(C)C 62a_100000748629_100000211751 [0,0,0,0,0,2|2,0,0]=4 7015 B10R0.97 C=C(C)CSCCSC(C)C 62a_100000730970_100000211660 [0,0,0,0,0,2|2,0,0]=4 7016 B10R0.97 C=C(C)CSCCSC(C)C 62a_100000748629_100000730970 [0,0,0,0,0,2|2,0,0]=4 7017 B10R0.97 C=C(F)CNCCCC(C)C 2230a_200000737386_100009893438 [0,0,0,0,0,2|2,0,0]=4 7018 B10R0.97 C=C(F)CNCCCC(C)C 34a_200000737386_100009893438 [0,0,0,0,0,2|2,0,0]=4 7019 B10R0.97 C=C(F)CNCCOC(C)C 2230a_100000701111_100009893438 [0,0,0,0,0,2|2,0,0]=4 7020 B10R0.97 C=C(F)CNCCOC(C)C 34a_100000701111_100009893438 [0,0,0,0,0,2|2,0,0]=4 7021 B10R0.97 C=C(F)CNCCSC(C)C 2230a_100000731138_100009893438 [0,0,0,0,0,2|2,0,0]=4 7022 B10R0.97 C=C(F)CNCCSC(C)C 34a_100000731138_100009893438 [0,0,0,0,0,2|2,0,0]=4 7023 B10R0.97 C=C(F)COCCCC(C)C 34a_100000210774_100009893438 [0,0,0,0,0,2|2,0,0]=4 7024 B10R0.97 C=C(F)COCCCC(C)C 34a_200010262243_100011214892 [0,0,0,0,0,2|2,0,0]=4 7025 B10R0.97 C=C(F)COCCCC(C)C 7a_100000210774_100000042424 [0,0,0,0,0,2|2,0,0]=4 7026 B10R0.97 C=C(F)COCCNC(C)C 34a_100000224655_100009893438 [0,0,0,0,0,2|2,0,0]=4 7027 B10R0.97 C=C(F)COCCOC(C)C 34a_100000211219_100009893438 [0,0,0,0,0,2|2,0,0]=4 7028 B10R0.97 C=C(F)COCCOC(C)C 34a_200010262243_100000211751 [0,0,0,0,0,2|2,0,0]=4 7029 B10R0.97 C=C(F)COCCOC(C)C 7a_100000211219_100000042424 [0,0,0,0,0,2|2,0,0]=4 7030 B10R0.97 C=C(F)COCCSC(C)C 34a_200010262243_100000730970 [0,0,0,0,0,2|2,0,0]=4 7031 B10R0.97 C=C(F)COCCSC(C)C 34a_200011212901_100009893438 [0,0,0,0,0,2|2,0,0]=4 7032 B10R0.97 C=C(F)COCCSC(C)C 7a_200011212901_100000042424 [0,0,0,0,0,2|2,0,0]=4 7033 B10R0.97 C=C(F)CSCCCC(C)C 62a_100000042424_100011214892 [0,0,0,0,0,2|2,0,0]=4 7034 B10R0.97 C=C(F)CSCCCC(C)C 62a_100011214892_100000042424 [0,0,0,0,0,2|2,0,0]=4 7035 B10R0.97 C=C(F)CSCCOC(C)C 62a_100000042424_100000211751 [0,0,0,0,0,2|2,0,0]=4 7036 B10R0.97 C=C(F)CSCCOC(C)C 62a_100000211751_100000042424 [0,0,0,0,0,2|2,0,0]=4 7037 B10R0.97 C=C(F)CSCCSC(C)C 62a_100000042424_100000730970 [0,0,0,0,0,2|2,0,0]=4 7038 B10R0.97 C=C(F)CSCCSC(C)C 62a_100000730970_100000042424 [0,0,0,0,0,2|2,0,0]=4 7039 B10R0.97 CC(=CCCNCC(=O)N)C 2230a_100000711301_100011217483 [0,0,0,0,0,2|1,0,1]=4 7040 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,0,0,0,0,2|0,0,1]=3 7041 B10R0.97 CC(=CCCNCC(C)C)C 2230a_100000210953_100011217483 [0,0,0,0,0,2|2,0,0]=4 7042 B10R0.97 CC(=CCCNCC(C)C)C 34a_100000210953_100011217483 [0,0,0,0,0,2|2,0,0]=4 7043 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [0,0,0,0,0,2|2,0,0]=4 7044 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100000747473_100011217483 [0,0,0,0,0,2|1,0,1]=4 7045 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100011217483_100000747473 [0,0,0,0,0,2|1,0,1]=4 7046 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100011217483_100020667443 [0,0,0,0,0,2|0,0,2]=4 7047 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100020667443_100011217483 [0,0,0,0,0,2|0,0,2]=4 7048 B10R0.97 CC(=CCCSCC(C)C)C 62a_100000210624_100011217483 [0,0,0,0,0,2|2,0,0]=4 7049 B10R0.97 CC(=CCCSCC(C)C)C 62a_100011217483_100000210760 [0,0,0,0,0,2|2,0,0]=4 7050 B10R0.97 CC(=CCNCCC(=O)N)C 34a_100000718196_100000731001 [0,0,0,0,0,2|1,0,1]=4 7051 B10R0.97 CC(=CCNCCC(C)C)C 34a_100000718196_100000210312 [0,0,0,0,0,2|2,0,0]=4 7052 B10R0.97 CC(=CCNOCC(=O)O)C 269956a_100000106656_100000761012 [0,0,0,0,0,2|0,0,2]=4 7053 B10R0.97 CC(=CCOCCC(=O)N)C 34a_100000753907_100000731001 [0,0,0,0,0,2|1,0,1]=4 7054 B10R0.97 CC(=CCOCCC(=O)N)C 34a_100000757172_100000761012 [0,0,0,0,0,2|1,0,1]=4 7055 B10R0.97 CC(=CCOCCC(=O)N)C 7a_100000757172_100000761012 [0,0,0,0,0,2|1,0,1]=4 7056 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000210254_100000761012 [0,0,0,0,0,2|2,0,0]=4 7057 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000753907_100000210312 [0,0,0,0,0,2|2,0,0]=4 7058 B10R0.97 CC(=CCOCCC(C)C)C 7a_100000210254_100000761012 [0,0,0,0,0,2|2,0,0]=4 7059 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000744528_100000761012 [0,0,0,0,0,2|1,0,1]=4 7060 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000761012_100000744528 [0,0,0,0,0,2|1,0,1]=4 7061 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000210312_100000761012 [0,0,0,0,0,2|2,0,0]=4 7062 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000761012_100000210312 [0,0,0,0,0,2|2,0,0]=4 7063 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,0,0,0,0,2|1,0,0]=3 7064 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,0,0,0,0,2|1,0,0]=3 7065 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,0,0,0,0,2|1,0,0]=3 7066 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,0,0,0,0,2|1,0,0]=3 7067 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,0,0,0,0,2|1,0,0]=3 7068 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,0,0,0,0,2|1,0,0]=3 7069 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,0,2|1,0,1]=4 7070 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,0,0,0,0,2|1,0,0]=3 7071 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,0,0,0,0,2|2,0,0]=4 7072 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,0,0,0,0,2|2,0,0]=4 7073 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,0,0,0,0,2|1,0,0]=3 7074 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,0,0,0,0,2|1,0,0]=3 7075 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,0,0,0,0,2|1,0,0]=3 7076 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,0,0,0,0,2|2,0,0]=4 7077 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,0,0,0,0,2|2,0,0]=4 7078 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,0,0,0,0,2|2,0,0]=4 7079 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,0,0,0,0,2|2,0,0]=4 7080 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,0,0,0,0,2|2,0,0]=4 7081 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,0,0,0,0,2|2,0,0]=4 7082 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,0,0,0,0,2|2,0,0]=4 7083 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,0,0,0,0,2|1,0,0]=3 7084 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,0,0,0,0,2|1,0,0]=3 7085 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,0,0,0,0,2|2,0,0]=4 7086 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,0,0,0,0,2|2,0,0]=4 7087 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,0,0,0,0,2|2,0,0]=4 7088 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,0,0,0,0,2|2,0,0]=4 7089 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,0,0,0,0,2|1,0,1]=4 7090 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,0,0,0,0,2|1,0,1]=4 7091 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,0,0,0,0,2|1,0,1]=4 7092 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,0,0,0,0,2|1,0,0]=3 7093 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,0,0,0,0,2|1,0,0]=3 7094 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,0,0,0,0,2|1,0,0]=3 7095 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,0,0,0,0,2|2,0,0]=4 7096 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,0,0,0,0,2|2,0,0]=4 7097 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,0,0,0,0,2|2,0,0]=4 7098 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [0,0,0,0,0,2|1,0,0]=3 7099 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,0,0,0,0,2|1,0,1]=4 7100 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,0,0,0,0,2|1,0,1]=4 7101 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,0,0,0,0,2|1,0,0]=3 7102 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,0,0,0,0,2|1,0,0]=3 7103 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,0,0,0,0,2|2,0,0]=4 7104 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,0,0,0,0,2|2,0,0]=4 7105 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,0,0,0,0,2|2,0,0]=4 7106 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [0,0,0,0,0,2|1,0,0]=3 7107 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [0,0,0,0,0,2|1,0,0]=3 7108 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,0,0,0,0,2|1,0,1]=4 7109 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,0,0,0,0,2|1,0,0]=3 7110 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,0,0,0,0,2|2,0,0]=4 7111 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [0,0,0,0,0,2|1,0,0]=3 7112 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [0,0,0,0,0,2|1,0,0]=3 7113 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,0,0,0,0,2|2,0,0]=4 7114 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,0,0,0,0,2|1,0,0]=3 7115 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,0,0,0,0,2|1,0,0]=3 7116 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,0,0,0,0,2|1,0,0]=3 7117 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,0,0,0,0,2|1,0,0]=3 7118 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,0,0,0,0,2|1,0,0]=3 7119 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,0,0,0,0,2|1,0,0]=3 7120 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,0,0,0,0,2|1,0,1]=4 7121 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,0,0,0,0,2|1,0,0]=3 7122 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,0,0,0,0,2|1,0,0]=3 7123 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,0,0,0,0,2|2,0,0]=4 7124 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,0,0,0,0,2|2,0,0]=4 7125 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,0,0,0,0,2|2,0,0]=4 7126 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,0,0,0,0,2|1,0,0]=3 7127 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,0,0,0,0,2|2,0,0]=4 7128 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,0,0,0,0,2|2,0,0]=4 7129 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,0,0,0,0,2|1,0,0]=3 7130 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,0,0,0,0,2|1,0,0]=3 7131 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,0,0,0,0,2|2,0,0]=4 7132 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,0,0,0,0,2|2,0,0]=4 7133 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,0,0,0,0,2|2,0,0]=4 7134 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,0,0,0,0,2|2,0,0]=4 7135 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,0,0,0,0,2|2,0,0]=4 7136 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,0,0,0,0,2|1,0,0]=3 7137 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,0,0,0,0,2|1,0,0]=3 7138 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,0,0,0,0,2|1,0,0]=3 7139 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,0,0,0,0,2|1,0,0]=3 7140 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,0,0,0,0,2|1,0,1]=4 7141 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,0,0,0,0,2|1,0,0]=3 7142 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,0,0,0,0,2|2,0,0]=4 7143 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,0,0,0,0,2|2,0,0]=4 7144 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,0,0,0,0,2|1,0,0]=3 7145 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,0,0,0,0,2|2,0,0]=4 7146 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,0,0,0,0,2|2,0,0]=4 7147 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,0,0,0,0,2|2,0,0]=4 7148 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,0,0,0,0,2|2,0,0]=4 7149 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,0,0,0,0,2|1,0,0]=3 7150 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,0,0,0,0,2|1,0,0]=3 7151 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,0,0,0,0,2|2,0,0]=4 7152 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,0,0,0,0,2|2,0,0]=4 7153 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,0,0,0,0,2|2,0,0]=4 7154 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,0,0,0,0,2|2,0,0]=4 7155 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,0,0,0,0,2|2,0,0]=4 7156 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,0,0,0,0,2|1,0,0]=3 7157 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,0,0,0,0,2|2,0,0]=4 7158 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,0,0,0,0,2|1,0,0]=3 7159 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,0,0,0,0,2|1,0,0]=3 7160 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,0,0,0,0,2|2,0,0]=4 7161 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,0,0,0,0,2|2,0,0]=4 7162 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,0,0,0,0,2|2,0,0]=4 7163 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [0,0,0,0,0,2|2,0,0]=4 7164 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [0,0,0,0,0,2|2,0,0]=4 7165 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,0,0,0,0,2|2,0,0]=4 7166 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,0,0,0,0,2|2,0,0]=4 7167 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,0,0,0,0,2|1,0,0]=3 7168 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,0,0,0,0,2|1,0,0]=3 7169 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,0,0,0,0,2|1,0,0]=3 7170 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,0,0,0,0,2|1,0,0]=3 7171 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,0,0,0,0,2|1,0,0]=3 7172 B10R0.97 CC(=S)OCCCNC(C)C 2230a_100138425928_200135323944 [0,0,0,0,0,2|1,1,0]=4 7173 B10R0.97 CC(=S)OCCCNC(C)C 34a_100138425928_200135323944 [0,0,0,0,0,2|1,1,0]=4 7174 B10R0.97 CC(=S)OCCCOC(C)C 34a_100000212225_200135323944 [0,0,0,0,0,2|1,1,0]=4 7175 B10R0.97 CC(=S)OCCCSC(C)C 62a_100000210206_200135323944 [0,0,0,0,0,2|1,1,0]=4 7176 B10R0.97 CC(=S)OCCCSC(C)C 62a_200135323944_100000210206 [0,0,0,0,0,2|1,1,0]=4 7177 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,0,0,0,0,2|2,0,0]=4 7178 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,0,0,0,0,2|2,0,0]=4 7179 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,0,0,0,0,2|2,0,0]=4 7180 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,0,0,0,0,2|1,0,0]=3 7181 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,0,0,0,0,2|1,0,0]=3 7182 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,0,0,0,0,2|1,0,0]=3 7183 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,0,0,0,0,2|1,0,0]=3 7184 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,0,0,0,0,2|0,0,0]=2 7185 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,0,0,0,0,2|0,0,1]=3 7186 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,0,0,0,0,2|1,0,1]=4 7187 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,0,0,0,0,2|1,0,1]=4 7188 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,0,0,0,0,2|1,0,1]=4 7189 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,0,0,0,0,2|1,0,1]=4 7190 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,0,0,0,0,2|1,0,1]=4 7191 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,0,0,0,0,2|1,0,1]=4 7192 B10R0.97 CC(C)CCCNC[N+](=O)[O-] 34a_200000737386_100000761209 [0,0,0,0,0,2|1,0,1]=4 7193 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,0,0,0,0,2|1,0,0]=3 7194 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,0,0,0,0,2|1,0,0]=3 7195 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,0,0,0,0,2|0,0,1]=3 7196 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,0,0,0,0,2|1,0,1]=4 7197 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,0,0,0,0,2|1,0,1]=4 7198 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,0,0,0,0,2|1,0,1]=4 7199 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,0,0,0,0,2|1,0,1]=4 7200 B10R0.97 CC(C)CCCOC[N+](=O)[O-] 34a_100000210774_100000761209 [0,0,0,0,0,2|1,0,1]=4 7201 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,0,0,0,0,2|1,0,0]=3 7202 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,0,0,0,0,2|1,0,0]=3 7203 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,0,0,0,0,2|0,0,1]=3 7204 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,0,0,0,0,2|0,0,1]=3 7205 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,0,0,0,0,2|1,0,1]=4 7206 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,0,0,0,0,2|1,0,1]=4 7207 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,0,0,0,0,2|1,0,1]=4 7208 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,0,0,0,0,2|1,0,1]=4 7209 B10R0.97 CC(C)CCCSC[N+](=O)[O-] 62a_100011214892_100000761209 [0,0,0,0,0,2|1,0,1]=4 7210 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,0,0,0,0,2|1,0,0]=3 7211 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [0,0,0,0,0,2|1,0,1]=4 7212 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [0,0,0,0,0,2|1,0,1]=4 7213 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,0,0,0,0,2|0,0,0]=2 7214 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,0,0,0,0,2|1,0,0]=3 7215 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,0,0,0,0,2|1,0,0]=3 7216 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,0,0,0,0,2|1,0,0]=3 7217 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,0,0,0,0,2|1,0,0]=3 7218 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,0,0,0,0,2|1,0,1]=4 7219 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,0,0,0,0,2|1,0,1]=4 7220 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,0,0,0,0,2|1,0,0]=3 7221 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,0,0,0,0,2|1,0,0]=3 7222 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [0,0,0,0,0,2|1,0,1]=4 7223 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [0,0,0,0,0,2|1,0,1]=4 7224 B10R0.97 CC(C)CNCCC=C(F)F 2230a_100000210953_200009816681 [0,0,0,0,0,2|2,0,0]=4 7225 B10R0.97 CC(C)CNCCC=C(F)F 34a_100000210953_200009816681 [0,0,0,0,0,2|2,0,0]=4 7226 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,0,0,0,0,2|1,0,0]=3 7227 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,0,0,0,0,2|1,0,0]=3 7228 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [0,0,0,0,0,2|1,0,1]=4 7229 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [0,0,0,0,0,2|1,0,1]=4 7230 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [0,0,0,0,0,2|2,0,0]=4 7231 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [0,0,0,0,0,2|2,0,0]=4 7232 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [0,0,0,0,0,2|1,0,0]=3 7233 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [0,0,0,0,0,2|1,0,0]=3 7234 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,0,0,0,0,2|1,0,0]=3 7235 B10R0.97 CC(C)COCCC=C(F)F 34a_100000210257_200009816681 [0,0,0,0,0,2|2,0,0]=4 7236 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,0,0,0,0,2|1,0,0]=3 7237 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [0,0,0,0,0,2|1,0,1]=4 7238 B10R0.97 CC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000210624 [0,0,0,0,0,2|1,0,1]=4 7239 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,0,0,0,0,2|1,0,0]=3 7240 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,0,0,0,0,2|1,0,0]=3 7241 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,0,0,0,0,2|1,0,0]=3 7242 B10R0.97 CC(C)CSCCC=C(F)F 62a_100000210624_200009816681 [0,0,0,0,0,2|2,0,0]=4 7243 B10R0.97 CC(C)CSCCC=C(F)F 62a_200009816681_100000210760 [0,0,0,0,0,2|2,0,0]=4 7244 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,0,0,0,0,2|1,0,0]=3 7245 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,0,0,0,0,2|1,0,0]=3 7246 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [0,0,0,0,0,2|1,0,1]=4 7247 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [0,0,0,0,0,2|1,0,1]=4 7248 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [0,0,0,0,0,2|1,0,0]=3 7249 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [0,0,0,0,0,2|1,0,0]=3 7250 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,0,0,0,0,2|1,0,0]=3 7251 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,0,0,0,0,2|1,0,0]=3 7252 B10R0.97 CC(C)NCCCCB(O)O 2230a_100138425928_200009817182 [0,0,0,0,0,2|1,0,1]=4 7253 B10R0.97 CC(C)NCCCCB(O)O 34a_100138425928_200009817182 [0,0,0,0,0,2|1,0,1]=4 7254 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,0,0,0,0,2|1,0,0]=3 7255 B10R0.97 CC(C)NCCOCC(=O)N 2230a_100138425928_100000076697 [0,0,0,0,0,2|1,0,0]=3 7256 B10R0.97 CC(C)NCCOCC(=O)N 34a_100000224655_100000187820 [0,0,0,0,0,2|1,0,0]=3 7257 B10R0.97 CC(C)NCCOCC(=O)N 34a_100138425928_100000076697 [0,0,0,0,0,2|1,0,0]=3 7258 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,0,0,0,0,2|0,0,0]=2 7259 B10R0.97 CC(C)NCCOCC(=O)[O-] 34a_100000224655_100020667443 [0,0,0,0,0,2|0,0,1]=3 7260 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [0,0,0,0,0,2|1,0,1]=4 7261 B10R0.97 CC(C)NCCOC[N+](=O)[O-] 34a_100000224655_100000761209 [0,0,0,0,0,2|1,0,1]=4 7262 B10R0.97 CC(C)OCCCCB(O)O 34a_100000212225_200009817182 [0,0,0,0,0,2|1,0,1]=4 7263 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,0,0,0,0,2|1,0,0]=3 7264 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,0,0,0,0,2|1,0,0]=3 7265 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000210206 [0,0,0,0,0,2|1,0,1]=4 7266 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000210206 [0,0,0,0,0,2|1,0,1]=4 7267 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000701111_100000747473 [0,0,0,0,0,2|1,0,0]=3 7268 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000711301_100000211751 [0,0,0,0,0,2|1,0,0]=3 7269 B10R0.97 CC(C)OCCNCC(=O)N 34a_100000701111_100000187820 [0,0,0,0,0,2|1,0,0]=3 7270 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,0,0,0,0,2|0,0,0]=2 7271 B10R0.97 CC(C)OCCNCC(=O)[O-] 34a_100000701111_100020667443 [0,0,0,0,0,2|0,0,1]=3 7272 B10R0.97 CC(C)OCCNC[C@@H](C)O 2230a_100000701111_100009817552 [0,0,0,0,0,2|1,0,1]=4 7273 B10R0.97 CC(C)OCCNC[C@@H](C)O 34a_100000701111_100009817552 [0,0,0,0,0,2|1,0,1]=4 7274 B10R0.97 CC(C)OCCNC[N+](=O)[O-] 34a_100000701111_100000761209 [0,0,0,0,0,2|1,0,1]=4 7275 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000211219_100000187820 [0,0,0,0,0,2|1,0,0]=3 7276 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000212225_100000076697 [0,0,0,0,0,2|1,0,0]=3 7277 B10R0.97 CC(C)OCCOCC(=O)N 7a_100000211219_100000187820 [0,0,0,0,0,2|1,0,0]=3 7278 B10R0.97 CC(C)OCCOCC(=O)[O-] 34a_100000211219_100020667443 [0,0,0,0,0,2|0,0,1]=3 7279 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [0,0,0,0,0,2|1,0,1]=4 7280 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [0,0,0,0,0,2|1,0,1]=4 7281 B10R0.97 CC(C)OCCOC[N+](=O)[O-] 34a_100000211219_100000761209 [0,0,0,0,0,2|1,0,1]=4 7282 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000211751_100000747473 [0,0,0,0,0,2|1,0,0]=3 7283 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000747473_100000211751 [0,0,0,0,0,2|1,0,0]=3 7284 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100000211751_100020667443 [0,0,0,0,0,2|0,0,1]=3 7285 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100020667443_100000211751 [0,0,0,0,0,2|0,0,1]=3 7286 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100000211751_100009817552 [0,0,0,0,0,2|1,0,1]=4 7287 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100009817552_100000211751 [0,0,0,0,0,2|1,0,1]=4 7288 B10R0.97 CC(C)OCCSC[N+](=O)[O-] 62a_100000211751_100000761209 [0,0,0,0,0,2|1,0,1]=4 7289 B10R0.97 CC(C)OCNOCC(=O)O 269956a_100000106656_100000709892 [0,0,0,0,0,2|1,0,0]=3 7290 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [0,0,0,0,0,2|1,0,0]=3 7291 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000709892_100000744528 [0,0,0,0,0,2|1,0,0]=3 7292 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000744528_100000709892 [0,0,0,0,0,2|1,0,0]=3 7293 B10R0.97 CC(C)SCCCCB(O)O 62a_100000210206_200009817182 [0,0,0,0,0,2|1,0,1]=4 7294 B10R0.97 CC(C)SCCCCB(O)O 62a_200009817182_100000210206 [0,0,0,0,0,2|1,0,1]=4 7295 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000711301_100000730970 [0,0,0,0,0,2|1,0,0]=3 7296 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000731138_100000747473 [0,0,0,0,0,2|1,0,0]=3 7297 B10R0.97 CC(C)SCCNCC(=O)N 34a_100000731138_100000187820 [0,0,0,0,0,2|1,0,0]=3 7298 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,0,0,0,0,2|0,0,0]=2 7299 B10R0.97 CC(C)SCCNCC(=O)[O-] 34a_100000731138_100020667443 [0,0,0,0,0,2|0,0,1]=3 7300 B10R0.97 CC(C)SCCNC[C@@H](C)O 2230a_100000731138_100009817552 [0,0,0,0,0,2|1,0,1]=4 7301 B10R0.97 CC(C)SCCNC[C@@H](C)O 34a_100000731138_100009817552 [0,0,0,0,0,2|1,0,1]=4 7302 B10R0.97 CC(C)SCCNC[N+](=O)[O-] 34a_100000731138_100000761209 [0,0,0,0,0,2|1,0,1]=4 7303 B10R0.97 CC(C)SCCOCC(=O)N 34a_200011212901_100000187820 [0,0,0,0,0,2|1,0,0]=3 7304 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000076697_100000210206 [0,0,0,0,0,2|1,0,0]=3 7305 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000210206_100000076697 [0,0,0,0,0,2|1,0,0]=3 7306 B10R0.97 CC(C)SCCOCC(=O)N 7a_200011212901_100000187820 [0,0,0,0,0,2|1,0,0]=3 7307 B10R0.97 CC(C)SCCOCC(=O)[O-] 34a_200011212901_100020667443 [0,0,0,0,0,2|0,0,1]=3 7308 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [0,0,0,0,0,2|1,0,1]=4 7309 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [0,0,0,0,0,2|1,0,1]=4 7310 B10R0.97 CC(C)SCCOC[N+](=O)[O-] 34a_200011212901_100000761209 [0,0,0,0,0,2|1,0,1]=4 7311 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000730970_100000747473 [0,0,0,0,0,2|1,0,0]=3 7312 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000747473_100000730970 [0,0,0,0,0,2|1,0,0]=3 7313 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100000730970_100020667443 [0,0,0,0,0,2|0,0,1]=3 7314 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100020667443_100000730970 [0,0,0,0,0,2|0,0,1]=3 7315 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100000730970_100009817552 [0,0,0,0,0,2|1,0,1]=4 7316 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100009817552_100000730970 [0,0,0,0,0,2|1,0,1]=4 7317 B10R0.97 CC(C)SCCSC[N+](=O)[O-] 62a_100000730970_100000761209 [0,0,0,0,0,2|1,0,1]=4 7318 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,0,0,0,0,2|2,0,0]=4 7319 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,0,0,0,0,2|2,0,0]=4 7320 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,0,0,0,0,2|2,0,0]=4 7321 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,0,0,0,0,2|1,0,0]=3 7322 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,0,0,0,0,2|2,0,0]=4 7323 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,0,0,0,0,2|2,0,0]=4 7324 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,0,0,0,0,2|1,0,1]=4 7325 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,0,0,0,0,2|1,0,1]=4 7326 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,0,0,0,0,2|2,0,0]=4 7327 B10R0.97 CC(O)CCNCOC(C)C 2230a_200000755665_100000709892 [0,0,0,0,0,2|1,0,1]=4 7328 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,0,0,0,0,2|1,0,0]=3 7329 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,0,0,0,0,2|2,0,0]=4 7330 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,0,0,0,0,2|2,0,0]=4 7331 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,0,0,0,0,2|2,0,0]=4 7332 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,0,0,0,0,2|2,0,0]=4 7333 B10R0.97 CC(O)CCSCOC(C)C 62a_100000709892_100012276601 [0,0,0,0,0,2|1,0,1]=4 7334 B10R0.97 CC(O)CCSCOC(C)C 62a_100012276601_100000709892 [0,0,0,0,0,2|1,0,1]=4 7335 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,0,0,0,0,2|2,0,0]=4 7336 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,0,0,0,0,2|2,0,0]=4 7337 B10R0.97 CC(O)CNCCNC(=O)N 2230a_100000210904_200000034859 [0,0,0,0,0,2|2,0,0]=4 7338 B10R0.97 CC(O)CNCCNC(=O)N 34a_100020590234_100011218427 [0,0,0,0,0,2|2,0,0]=4 7339 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,0,0,0,0,2|2,0,0]=4 7340 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000210904_100000211751 [0,0,0,0,0,2|1,0,1]=4 7341 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000701111_100011218427 [0,0,0,0,0,2|1,0,1]=4 7342 B10R0.97 CC(O)CNCCOC(C)C 34a_100000210904_100000211751 [0,0,0,0,0,2|1,0,1]=4 7343 B10R0.97 CC(O)CNCCOC(C)C 34a_100000701111_100011218427 [0,0,0,0,0,2|1,0,1]=4 7344 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000210904_100000730970 [0,0,0,0,0,2|1,0,1]=4 7345 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000731138_100011218427 [0,0,0,0,0,2|1,0,1]=4 7346 B10R0.97 CC(O)CNCCSC(C)C 34a_100000210904_100000730970 [0,0,0,0,0,2|1,0,1]=4 7347 B10R0.97 CC(O)CNCCSC(C)C 34a_100000731138_100011218427 [0,0,0,0,0,2|1,0,1]=4 7348 B10R0.97 CC(O)COCCNC(=O)N 34a_100000181757_100011218427 [0,0,0,0,0,2|2,0,0]=4 7349 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [0,0,0,0,0,2|1,0,1]=4 7350 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,0,0,0,0,2|2,0,0]=4 7351 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [0,0,0,0,0,2|1,0,1]=4 7352 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [0,0,0,0,0,2|1,0,1]=4 7353 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [0,0,0,0,0,2|1,0,1]=4 7354 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [0,0,0,0,0,2|1,0,1]=4 7355 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,0,0,0,0,2|2,0,0]=4 7356 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,0,0,0,0,2|2,0,0]=4 7357 B10R0.97 CC(O)CSCCNC(=O)N 62a_100011218427_200000034859 [0,0,0,0,0,2|2,0,0]=4 7358 B10R0.97 CC(O)CSCCNC(=O)N 62a_200000034859_100011218427 [0,0,0,0,0,2|2,0,0]=4 7359 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,0,0,0,0,2|2,0,0]=4 7360 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,0,0,0,0,2|2,0,0]=4 7361 B10R0.97 CC(O)CSCCOC(C)C 62a_100000211751_100011218427 [0,0,0,0,0,2|1,0,1]=4 7362 B10R0.97 CC(O)CSCCOC(C)C 62a_100011218427_100000211751 [0,0,0,0,0,2|1,0,1]=4 7363 B10R0.97 CC(O)CSCCSC(C)C 62a_100000730970_100011218427 [0,0,0,0,0,2|1,0,1]=4 7364 B10R0.97 CC(O)CSCCSC(C)C 62a_100011218427_100000730970 [0,0,0,0,0,2|1,0,1]=4 7365 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,0,0,0,0,2|2,0,0]=4 7366 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,0,0,0,0,2|2,0,0]=4 7367 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,0,0,0,0,2|1,0,0]=3 7368 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [0,0,0,0,0,2|2,0,0]=4 7369 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [0,0,0,0,0,2|1,0,1]=4 7370 B10R0.97 CN(C)CCNOCC(=O)O 269956a_100000106656_100000755713 [0,0,0,0,0,2|1,0,0]=3 7371 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,0,0,0,0,2|2,0,0]=4 7372 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,0,0,0,0,2|2,0,0]=4 7373 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,0,0,0,0,2|2,0,0]=4 7374 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,0,0,0,0,2|2,0,0]=4 7375 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,0,0,0,0,2|2,0,0]=4 7376 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,0,0,0,0,2|2,0,0]=4 7377 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,0,0,0,0,2|2,0,0]=4 7378 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,0,0,0,0,2|2,0,0]=4 7379 B10R0.97 C[C@@H](O)CNCCNC(=O)N 34a_100020590234_100009817552 [0,0,0,0,0,2|2,0,0]=4 7380 B10R0.97 C[C@@H](O)COCCNC(=O)N 34a_100000181757_100009817552 [0,0,0,0,0,2|2,0,0]=4 7381 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,0,0,0,0,2|2,0,0]=4 7382 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,0,0,0,0,2|2,0,0]=4 7383 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,0,0,0,0,2|2,0,0]=4 7384 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_100009817552_200000034859 [0,0,0,0,0,2|2,0,0]=4 7385 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_200000034859_100009817552 [0,0,0,0,0,2|2,0,0]=4 7386 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,0,0,0,0,2|2,0,0]=4 7387 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,0,0,0,0,2|2,0,0]=4