0 B8R0.5 C#CCC(=O)CC(=C)C 1458a_100011220946_100000748629 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100011220946_100000187820 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100134613110_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.5 C#CCC(=O)CC(=O)[O-] 1458a_100011220946_100020667443 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.5 C=C(C)CC(=O)C=CBr 1458a_100016273825_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.5 C=C(C)CC(=O)C=CCl 1458a_200016279998_100000748629 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.5 C=C(C)CC(=O)C=CI 1458a_100016256311_100000748629 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.5 C=C(C)CC(=O)CC#N 1458a_100051588842_100000748629 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.5 C=C(F)CC(=O)C#CC 1458a_100000763181_100009893438 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.5 C=C(F)CC(=O)C=CC 1458a_100000210699_100009893438 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,0,0,0,0,0|2,0,1]=3 23 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,0,0,0,0|0,0,2]=2 31 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.5 CC#CC(=O)CC(=O)[O-] 1458a_100000763181_100020667443 [0,0,0,0,0,0|2,0,1]=3 35 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,0,0,0,0,0|1,0,3]=4 37 B8R0.5 CC#CC(=O)C[N+](=O)[O-] 1458a_100000763181_100000761209 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,0,0,0,0,0|2,0,0]=2 45 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,0,0,0,0,0|2,0,2]=4 50 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,0,0,0,0,0|2,0,1]=3 51 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,0,0,0,0,0|2,0,1]=3 52 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,0,0,0,0,0|1,0,3]=4 54 B8R0.5 CC=CC(=O)C[N+](=O)[O-] 1458a_100000210699_100000761209 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,0,0|2,0,1]=3 58 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,0,0,0,0|2,0,1]=3 59 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,0,0|1,0,0]=1 62 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,0,0|2,0,0]=2 63 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,0,0|2,0,0]=2 64 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,0,0|2,0,0]=2 65 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,0,0|2,0,1]=3 67 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,0,0|1,0,2]=3 68 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,0,0|1,0,2]=3 73 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,0,0|2,0,1]=3 80 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,0,0|2,0,1]=3 81 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,0,0|2,0,1]=3 82 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,0,0,0,0,0|4,0,0]=4 90 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,0,0,0,0,0|4,0,0]=4 91 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,0,0|2,0,0]=2 93 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,0,0|2,0,1]=3 94 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,0,0|2,0,1]=3 95 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,0,0,0,0|2,0,1]=3 96 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,0,0,0,0|2,0,1]=3 97 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,0,0,0,0|2,0,1]=3 98 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,0,0|1,0,0]=1 100 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,0,0,0,0|2,0,0]=2 101 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,0,0,0,0|2,0,0]=2 102 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,0,0|2,0,1]=3 103 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,0,0|2,0,1]=3 104 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,0,0|2,0,1]=3 105 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,0,0|3,0,0]=3 106 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,0,0|3,0,0]=3 108 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,0,0|3,0,0]=3 112 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,0,0|1,0,2]=3 115 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,0,0|3,0,0]=3 118 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,0,0,0,0,0|3,0,1]=4 121 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,0,0,0,0,0|3,0,1]=4 122 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,0,0,0,0,0|3,0,1]=4 123 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,0,0|0,0,0]=0 124 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,0,0|0,0,0]=0 125 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,0,0|0,0,0]=0 126 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,0,0|2,0,0]=2 127 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,0,0|2,0,0]=2 128 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,0,0|2,0,0]=2 129 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,0,0|2,0,0]=2 130 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,0,0,0,0,0|2,0,2]=4 131 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,0,0,0,0,0|2,0,2]=4 132 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,0,0,0,0|1,1,1]=3 135 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,0,0,0,0|1,1,1]=3 136 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,0,0,0,0|2,1,1]=4 137 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,0,0,0,0|2,1,1]=4 138 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,0,0,0,0,0|4,0,0]=4 139 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,0,0,0,0,0|4,0,0]=4 140 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,0,0,0,0,0|4,0,0]=4 141 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,0,0,0,0,0|4,0,0]=4 142 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,0,0,0,0,0|3,0,0]=3 143 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,0,0,0,0,0|4,0,0]=4 144 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,0,0,0,0,0|4,0,0]=4 145 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,0,0,0,0,0|3,0,1]=4 146 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,0,0,0,0,0|3,0,1]=4 147 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,0,0,0,0,0|3,0,0]=3 148 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,0,0,0,0,0|4,0,0]=4 150 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,0,0,0,0,0|4,0,0]=4 152 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,0,0,0,0,0|3,0,0]=3 153 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,0,0,0,0,0|3,0,0]=3 154 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,0,0,0,0,0|3,0,1]=4 155 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.5 COCC(=O)C[N+](=O)[O-] 1458a_100000210968_100000761209 [0,0,0,0,0,0|4,0,0]=4 157 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,0,0,0,0,0|3,0,0]=3 158 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,0,0,0,0,0|3,0,0]=3 159 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,0,0,0,0,0|2,0,2]=4 161 B8R0.5 CSCC(=O)C[N+](=O)[O-] 1458a_100000184570_100000761209 [0,0,0,0,0,0|4,0,0]=4 162 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,0,0,0,0,0|3,0,0]=3 163 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,0,0,0,0,0|4,0,0]=4 164 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,0,0,0,0,0|2,0,2]=4 165 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,0,0,0,0,0|4,0,0]=4 167 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100051588842_100000187820 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100134613110_100011214920 [0,0,0,0,0,0|3,0,1]=4 170 B8R0.5 N#CCC(=O)CC(=O)[O-] 1458a_100051588842_100020667443 [0,0,0,0,0,0|3,0,1]=4 171 B8R0.5 NC(=O)CC(=O)C=CBr 1458a_100016273825_100000187820 [0,0,0,0,0,0|3,0,1]=4 172 B8R0.5 NC(=O)CC(=O)C=CCl 1458a_200016279998_100000187820 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.5 NC(=O)CC(=O)C=CI 1458a_100016256311_100000187820 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,0,0,0,0,0|3,0,0]=3 175 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,0,0,0,0,0|3,0,0]=3 176 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,0,0,0,0,0|3,0,0]=3 177 B8R0.5 O=C(CCO)C[N+](=O)[O-] 1458a_100011216618_100000761209 [0,0,0,0,0,0|4,0,0]=4 178 B8R0.5 O=C([O-])CC(=O)C=CBr 1458a_100016273825_100020667443 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.5 O=C([O-])CC(=O)C=CCl 1458a_200016279998_100020667443 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.5 O=C([O-])CC(=O)C=CI 1458a_100016256311_100020667443 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,0,0,0,0,0|3,0,0]=3 182 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,0,0,0,0,0|4,0,0]=4 183 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [1,0,0,0,0,0|1,0,2]=4 184 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [1,0,0,0,0,0|1,0,2]=4 185 B7R0.2 C#CC(=O)CC(=O)[O-] 1458a_100000211873_100020667443 [1,0,0,0,0,0|1,0,2]=4 186 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [1,0,0,0,0,0|2,0,1]=4 187 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,0,0,0,0,0|1,0,0]=2 188 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,0,0,0,0,0|2,0,0]=3 189 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,0,0,0,0,0|3,0,0]=4 191 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,0,0,0,0,0|3,0,0]=4 192 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,0,0,0,0,0|3,0,0]=4 194 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,0,0,0,0,0|3,0,0]=4 195 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,0,0,0,0,0|3,0,0]=4 196 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,0,0,0,0,0|3,0,0]=4 197 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,0,0,0,0,0|1,0,1]=3 198 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [1,0,0,0,0,0|1,0,2]=4 200 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,0,0,0,0,0|1,0,2]=4 201 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,0,0,0,0,0|1,0,2]=4 202 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [1,0,0,0,0,0|2,0,1]=4 203 B7R0.2 CC(=CC(=O)CF)Cl 1458a_200042562850_100015361967 [1,0,0,0,0,0|2,0,1]=4 204 B7R0.2 CC(=CC(=O)CF)I 1458a_100025716642_100015361967 [1,0,0,0,0,0|2,0,1]=4 205 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,0,0,0,0,0|1,0,2]=4 209 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,0,0|1,0,1]=3 210 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,0,0|1,0,1]=3 211 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,0,0,0,0|1,0,1]=3 212 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,0,0,0,0|1,0,1]=3 213 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,0,0,0,0|1,0,1]=3 214 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,0,0,0,0,0|2,0,1]=4 215 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,0,0|0,0,0]=1 216 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,0,0|1,0,0]=2 217 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,0,0|1,0,0]=2 218 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,0,0|1,0,0]=2 219 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,0,0,0,0|1,0,1]=3 220 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,0,0,0,0|1,0,1]=3 221 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,0,0,0,0|0,0,2]=3 222 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,0,0,0,0,0|2,0,1]=4 223 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,0,0,0,0,0|2,0,0]=3 224 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,0,0,0,0,0|2,0,0]=3 225 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,0,0,0,0|0,0,2]=3 226 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,0,0,0,0,0|2,0,0]=3 227 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,0,0,0,0,0|2,0,0]=3 228 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,0,0,0,0,0|2,0,1]=4 229 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,0,0,0,0,0|2,0,1]=4 230 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,0,0,0,0,0|2,0,1]=4 231 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,0,0,0,0,0|2,0,1]=4 232 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,0,0|1,0,1]=3 233 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,0,0|1,0,1]=3 234 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,0,0|1,0,1]=3 235 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,0,0,0,0|2,0,1]=4 236 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,0,0,0,0|2,0,1]=4 237 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,0,0,0,0|2,0,1]=4 239 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,0,0|0,0,2]=3 240 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,0,0|0,0,2]=3 241 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,0,0|0,0,2]=3 242 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,0,0,0,0|2,0,0]=3 243 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,0,0,0,0,0|3,0,0]=4 244 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,0,0,0,0,0|3,0,0]=4 245 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,0,0,0,0,0|3,0,0]=4 246 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,0,0|3,0,0]=4 248 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,0,0,0,0|2,0,0]=3 249 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,0,0,0,0,0|3,0,0]=4 250 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,0,0|3,0,0]=4 251 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,0,0|1,0,1]=3 252 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,0,0,0,0,0|3,0,0]=4 253 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [1,0,0,0,0,0|2,0,1]=4 254 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [1,0,0,0,0,0|2,0,1]=4 255 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [1,0,0,0,0,0|2,0,1]=4 257 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [1,0,0,0,0,0|2,0,1]=4 258 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [1,0,0,0,0,0|2,0,1]=4 259 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [1,0,0,0,0,0|2,0,1]=4 260 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [1,0,0,0,0,0|2,0,1]=4 261 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,0,0,0,0,0|1,0,0]=2 262 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,0,0,0,0,0|2,0,0]=3 263 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,0,0,0,0,0|2,0,0]=3 264 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,0,0,0,0,0|2,0,1]=4 265 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,0,0,0,0,0|2,0,1]=4 267 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,0,0,0,0,0|3,0,0]=4 269 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,0,0,0,0,0|3,0,0]=4 271 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,0,0,0,0,0|3,0,0]=4 272 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,0,0,0,0,0|3,0,0]=4 273 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,0,0,0,0,0|3,0,0]=4 274 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,0,0,0,0,0|3,0,0]=4 275 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,0,0,0,0,0|1,0,2]=4 276 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 278 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 279 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,0,0,0,0,0|3,0,0]=4 280 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,0,0|0,0,0]=1 281 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,0,0|0,0,0]=1 282 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,0,0|0,0,0]=1 283 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,0,0,0,0,0|2,0,0]=3 284 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,0,0,0,0,0|2,0,0]=3 285 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,0,0,0,0,0|2,0,0]=3 286 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,0,0,0,0,0|2,0,0]=3 287 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,0,0,0,0,0|1,0,2]=4 288 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,0,0,0,0,0|3,0,0]=4 289 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [1,0,0,0,0,0|2,0,0]=3 290 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,0,0,0,0,0|2,0,0]=3 291 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,0,0,0,0,0|2,0,0]=3 293 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|1,0,2]=4 294 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|1,0,2]=4 295 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|1,0,2]=4 296 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,1]=4 297 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|1,0,1]=3 298 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|1,0,1]=3 299 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [1,0,0,0,0,0|2,0,1]=4 300 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|1,1,1]=4 301 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|1,1,1]=4 302 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 303 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 305 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 306 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|0,0,3]=4 307 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,0,0,0,0,0|2,0,1]=4 308 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,1]=4 310 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,1]=4 311 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,1]=4 312 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,1]=4 313 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,1]=4 314 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,1]=4 315 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|1,0,1]=3 316 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|1,0,1]=3 317 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|1,1,1]=4 318 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|1,1,1]=4 319 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 320 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 321 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 322 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,0]=2 323 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,0]=2 324 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,0]=2 325 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [1,0,0,0,0,0|3,0,0]=4 326 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [1,0,0,0,0,0|3,0,0]=4 327 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,1]=3 328 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|3,0,0]=4 329 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 330 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 331 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,1]=3 332 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,1]=3 333 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,1]=3 334 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,1]=3 335 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,1]=3 336 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 337 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 338 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,1]=4 339 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,1]=4 340 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|3,0,0]=4 341 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|3,0,0]=4 342 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 343 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 344 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 345 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 347 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|3,0,0]=4 348 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 349 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|3,0,0]=4 350 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 352 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|3,0,0]=4 353 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|3,0,0]=4 354 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|3,0,0]=4 356 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|0,0,1]=2 357 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|0,0,1]=2 358 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|1,0,2]=4 359 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|1,0,2]=4 360 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|0,0,1]=2 361 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|0,0,1]=2 362 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|0,0,1]=2 363 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|0,0,1]=2 364 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|1,0,1]=3 365 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|1,0,1]=3 366 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|1,0,1]=3 367 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|0,0,1]=2 368 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|1,0,2]=4 369 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|1,0,2]=4 370 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|1,0,2]=4 371 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|1,0,2]=4 372 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|0,0,3]=4 373 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|1,0,2]=4 376 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|1,0,1]=3 377 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|0,1,1]=3 378 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|0,1,1]=3 379 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|0,1,1]=3 380 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|0,1,1]=3 381 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|1,1,1]=4 382 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|1,1,1]=4 383 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|0,1,1]=3 384 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|1,1,1]=4 385 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|1,1,1]=4 386 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,1]=4 388 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|2,0,1]=4 389 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,1]=4 395 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,1]=4 396 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,1]=4 398 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|3,0,0]=4 401 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|2,0,1]=4 402 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|2,0,1]=4 403 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,1]=4 404 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 405 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,0,0,0,0,0|1,0,2]=4 406 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,0,0,0,0,0|1,0,2]=4 407 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [1,0,0,0,0,0|1,0,2]=4 408 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [1,0,0,0,0,0|1,0,2]=4 409 B7R0.7 C=CCC(=O)C#CC 1458a_100000763181_100000210623 [1,0,0,0,0,0|1,0,2]=4 410 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,0,0,0,0,0|1,0,2]=4 411 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,0,0,0,0|1,0,1]=3 412 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,0,0,0,0|1,0,1]=3 413 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,0,0,0,0,0|2,0,1]=4 414 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,0,0,0,0,0|2,0,1]=4 417 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,0,0,0,0|1,0,1]=3 419 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,0,0,0,0|1,0,1]=3 420 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,0,0,0,0|1,0,1]=3 421 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,0,0,0,0,0|1,0,2]=4 423 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,0,0,0,0,0|1,0,2]=4 424 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,0,0,0,0|1,0,2]=4 425 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,0,0,0,0|1,0,2]=4 426 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,0,0,0,0|1,0,2]=4 427 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,0,0,0,0|1,0,2]=4 428 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,0,0,0,0|1,0,2]=4 429 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,0,0,0,0|1,0,2]=4 430 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,0,0,0,0|1,0,2]=4 431 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,0,0,0,0,0|1,0,2]=4 432 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,0,0,0,0|1,0,1]=3 433 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,0,0,0,0,0|2,0,1]=4 434 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,0,0,0,0|1,0,1]=3 436 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,0,0,0,0|1,0,1]=3 437 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,0,0,0,0,0|2,0,1]=4 438 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,0,0,0,0|1,0,1]=3 444 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,0,0,0,0,0|2,0,1]=4 445 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,0,0,0,0|1,0,2]=4 446 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,0,0,0,0|1,0,2]=4 447 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,0,0,0,0,0|2,0,0]=3 449 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,0,0,0,0,0|2,0,0]=3 450 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,0,0,0,0,0|2,0,0]=3 452 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,0,0,0,0,0|2,0,0]=3 453 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,0,0,0,0,0|2,0,0]=3 454 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,0,0,0,0,0|2,0,0]=3 455 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 456 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 457 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,0,0,0,0,0|1,0,1]=3 458 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,0,0,0,0|1,0,2]=4 460 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,0,0,0,0|1,0,2]=4 461 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,0,0,0,0|1,0,2]=4 462 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,0,0,0,0,0|3,0,0]=4 463 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,0,0,0,0,0|3,0,0]=4 464 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,0,0,0,0,0|2,0,1]=4 466 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,0,0,0,0,0|1,0,2]=4 469 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,0,0,0,0,0|2,0,0]=3 470 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 471 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,0,0,0,0,0|2,0,0]=3 472 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,0,0,0,0,0|2,0,0]=3 473 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,0,0,0,0,0|2,0,0]=3 474 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 475 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 476 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,0,0,0,0,0|2,0,0]=3 477 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,0,0,0,0,0|2,0,0]=3 478 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 479 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 480 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,0,0,0,0,0|2,0,0]=3 481 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,0,0,0,0,0|2,0,0]=3 482 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,0,0,0,0,0|2,0,0]=3 483 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,0,0,0,0,0|2,0,0]=3 484 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,0,0,0,0,0|2,0,0]=3 485 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 486 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 487 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,0,0,0,0,0|2,0,1]=4 488 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 489 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,0,0,0,0,0|3,0,0]=4 490 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,0,0,0,0,0|3,0,0]=4 491 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 492 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,0,0,0,0,0|1,0,0]=2 493 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,0,0,0,0,0|1,0,0]=2 494 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,0,0,0,0,0|1,0,0]=2 495 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,0,0,0,0,0|1,0,0]=2 496 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,0,0,0,0,0|1,0,0]=2 497 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,0,0,0,0,0|1,0,0]=2 498 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,0,0,0,0,0|1,0,0]=2 499 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 502 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,0,0,0,0,0|3,0,0]=4 503 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,0,0,0,0,0|3,0,0]=4 504 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,0,0,0,0,0|3,0,0]=4 505 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,0,0,0,0,0|3,0,0]=4 506 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,0,0,0,0,0|3,0,0]=4 507 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,0,0,0,0,0|3,0,0]=4 508 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,0,0,0,0,0|3,0,0]=4 509 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,0,0,0,0,0|3,0,0]=4 510 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,0,0,0,0,0|3,0,0]=4 511 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,0,0,0,0,0|3,0,0]=4 512 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,0,0,0,0,0|3,0,0]=4 513 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,0,0,0,0,0|3,0,0]=4 514 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,0,0,0,0,0|3,0,0]=4 515 B9R0.4 C#CCCC(=O)CC(=C)C 1458a_100000692101_100000748629 [0,1,0,0,0,0|2,0,1]=4 516 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100000692101_100000187820 [0,1,0,0,0,0|2,0,1]=4 517 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100134613110_100000753159 [0,1,0,0,0,0|2,0,1]=4 518 B9R0.4 C#CCCC(=O)CC(=O)[O-] 1458a_100000692101_100020667443 [0,1,0,0,0,0|2,0,1]=4 519 B9R0.4 C#CCNC(=O)CC(=O)N 240690a_100000212058_100134613110 [0,1,0,0,0,0|2,0,1]=4 520 B9R0.4 C#CCNC(=O)CC(=O)N 527a_100000212058_100134613110 [0,1,0,0,0,0|2,0,1]=4 521 B9R0.4 C/C=C/CC(=O)CC(=O)N 1458a_100134613110_100102629194 [0,1,0,0,0,0|2,0,1]=4 522 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,1,0,0,0,0|2,0,0]=3 523 B9R0.4 C=C(C)CC(=O)C#CCO 1458a_100000049017_100000748629 [0,1,0,0,0,0|2,0,1]=4 524 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,1,0,0,0,0|2,0,0]=3 525 B9R0.4 C=C(C)CC(=O)C=COC 1458a_100016268678_100000748629 [0,1,0,0,0,0|2,0,1]=4 526 B9R0.4 C=C(C)CC(=O)CC=CC 1458a_100121576822_100000748629 [0,1,0,0,0,0|2,0,1]=4 527 B9R0.4 C=C(C)CC(=O)CCC#N 1458a_100011934036_100000748629 [0,1,0,0,0,0|2,0,1]=4 528 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|2,0,0]=3 529 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,0|2,0,0]=3 530 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,0|2,0,0]=3 531 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,0|1,0,0]=2 532 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,0|1,1,0]=3 533 B9R0.4 C=C(C)CN(C)COCC 269982a_100000225649_100000739092 [0,1,0,0,0,0|3,0,0]=4 534 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,0,0,0,0|1,0,0]=2 535 B9R0.4 C=C(CN(C)C)OCOC 269982a_100102631434_100000042856 [0,1,0,0,0,0|3,0,0]=4 536 B9R0.4 C=C(F)CC(=O)C#CCC 1458a_100011827653_100009893438 [0,1,0,0,0,0|2,0,1]=4 537 B9R0.4 C=C(F)CC(=O)C=CCC 1458a_100000212282_100009893438 [0,1,0,0,0,0|2,0,1]=4 538 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,0,0,0,0|2,0,1]=4 539 B9R0.4 C=C(F)CC(=O)CCOC 1458a_100000749529_100009893438 [0,1,0,0,0,0|2,0,1]=4 540 B9R0.4 C=C(F)CC(=O)CCSC 1458a_100000174002_100009893438 [0,1,0,0,0,0|2,0,1]=4 541 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,1,0,0,0,0|1,0,1]=3 542 B9R0.4 C=C(F)CC(=O)CSCC 1458a_100000230394_100009893438 [0,1,0,0,0,0|1,1,1]=4 543 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,1,0,0,0,0|2,0,1]=4 544 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [0,1,0,0,0,0|2,0,1]=4 545 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [0,1,0,0,0,0|2,0,1]=4 546 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [0,1,0,0,0,0|2,0,1]=4 547 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [0,1,0,0,0,0|1,0,1]=3 548 B9R0.4 C=CCNC(=O)CC(=O)N 240690a_100020586998_100134613110 [0,1,0,0,0,0|2,0,1]=4 549 B9R0.4 C=CCNC(=O)CC(=O)N 527a_100020586998_100134613110 [0,1,0,0,0,0|2,0,1]=4 550 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,0,0,0,0|0,0,1]=2 551 B9R0.4 C=CCOC(=O)CN(C)C 2230a_100102631434_100000033060 [0,1,0,0,0,0|2,0,1]=4 552 B9R0.4 C=CCOC(=O)CN(C)C 269982a_100102631434_100000033060 [0,1,0,0,0,0|2,0,1]=4 553 B9R0.4 CC#CCC(=O)CC(=O)N 1458a_100134613110_100000748600 [0,1,0,0,0,0|2,0,1]=4 554 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,1,0,0,0,0|2,0,1]=4 555 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,1,0,0,0,0|2,0,1]=4 556 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,1,0,0,0,0|2,0,1]=4 557 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,1,0,0,0,0|2,0,1]=4 558 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,1,0,0,0,0|2,0,1]=4 559 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,1,0,0,0,0|2,0,1]=4 560 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,1,0,0,0,0|2,0,1]=4 561 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,1,0,0,0,0|2,0,1]=4 562 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,1,0,0,0,0|2,0,1]=4 563 B9R0.4 CC(=CC(=O)NCCF)Cl 11a_100000724931_200042562850 [0,1,0,0,0,0|2,0,1]=4 564 B9R0.4 CC(=CC(=O)NCCF)Cl 1626a_100000724931_200042562850 [0,1,0,0,0,0|2,0,1]=4 565 B9R0.4 CC(=CC(=O)NCCF)Cl 240690a_100000724931_200042562850 [0,1,0,0,0,0|2,0,1]=4 566 B9R0.4 CC(=CC(=O)NCCF)I 11a_100000724931_100025716642 [0,1,0,0,0,0|2,0,1]=4 567 B9R0.4 CC(=CC(=O)NCCF)I 1626a_100000724931_100025716642 [0,1,0,0,0,0|2,0,1]=4 568 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,1,0,0,0,0|2,0,1]=4 569 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,1,0,0,0,0|2,0,1]=4 570 B9R0.4 CC(=O)CC(=O)NCC#N 1458a_100000070787_100000736037 [0,1,0,0,0,0|1,0,1]=3 571 B9R0.4 CC(=O)NC(=O)CSCF 62a_100015361967_100000183797 [0,1,0,0,0,0|2,1,0]=4 572 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,0|2,0,1]=4 573 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,0|2,0,1]=4 574 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [0,1,0,0,0,0|2,0,1]=4 575 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [0,1,0,0,0,0|2,0,1]=4 576 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [0,1,0,0,0,0|2,0,1]=4 577 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [0,1,0,0,0,0|2,0,1]=4 578 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [0,1,0,0,0,0|2,0,1]=4 579 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [0,1,0,0,0,0|2,0,1]=4 580 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [0,1,0,0,0,0|2,0,1]=4 581 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [0,1,0,0,0,0|2,0,1]=4 582 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100121576822_100000187820 [0,1,0,0,0,0|2,0,1]=4 583 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100134613110_100000070051 [0,1,0,0,0,0|2,0,1]=4 584 B9R0.4 CC=CCC(=O)CC(=O)[O-] 1458a_100121576822_100020667443 [0,1,0,0,0,0|2,0,1]=4 585 B9R0.4 CCC#CC(=O)CC(=O)N 1458a_100011827653_100000187820 [0,1,0,0,0,0|2,0,0]=3 586 B9R0.4 CCC#CC(=O)CC(=O)[O-] 1458a_100011827653_100020667443 [0,1,0,0,0,0|2,0,0]=3 587 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [0,1,0,0,0,0|2,0,1]=4 588 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [0,1,0,0,0,0|1,0,2]=4 589 B9R0.4 CCC#CC(=O)C[N+](=O)[O-] 1458a_100011827653_100000761209 [0,1,0,0,0,0|3,0,0]=4 590 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [0,1,0,0,0,0|2,0,0]=3 591 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [0,1,0,0,0,0|2,0,0]=3 592 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [0,1,0,0,0,0|2,0,1]=4 593 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [0,1,0,0,0,0|1,0,2]=4 594 B9R0.4 CCC=CC(=O)C[N+](=O)[O-] 1458a_100000212282_100000761209 [0,1,0,0,0,0|3,0,0]=4 595 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,0|2,0,1]=4 596 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,0,0,0,0|2,0,1]=4 597 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,0,0,0,0|2,0,1]=4 598 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,0|2,0,0]=3 599 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,0|2,0,0]=3 600 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,0|2,0,0]=3 601 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,0|2,0,1]=4 602 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,0|2,0,1]=4 603 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|1,0,2]=4 604 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,0|3,0,0]=4 605 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|1,0,2]=4 606 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,1,0,0,0,0|3,0,0]=4 607 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,1,0,0,0,0|2,0,1]=4 609 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,1,0,0,0,0|2,0,1]=4 610 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,1,0,0,0,0|2,0,1]=4 611 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,1,0,0,0,0|2,0,1]=4 612 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,1,0,0,0,0|2,0,1]=4 613 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,1,0,0,0,0|2,0,1]=4 614 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,1,0,0,0,0|2,0,1]=4 615 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,1,0,0,0,0|2,0,1]=4 616 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,0|1,0,0]=2 617 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,0,0,0,0|2,0,0]=3 618 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,0,0,0,0|2,0,0]=3 619 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,0|2,0,1]=4 620 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,0|2,0,1]=4 621 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,0|2,0,1]=4 623 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,1,0,0,0,0|3,0,0]=4 624 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,1,0,0,0,0|3,0,0]=4 626 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,1,0,0,0,0|3,0,0]=4 627 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,1,0,0,0,0|3,0,0]=4 628 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,1,0,0,0,0|3,0,0]=4 629 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,1,0,0,0,0|3,0,0]=4 630 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,0|1,0,2]=4 633 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,1,0,0,0,0|3,0,0]=4 634 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,1,0,0,0,0|3,0,0]=4 635 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,1,0,0,0,0|3,0,0]=4 636 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,1,0,0,0,0|3,0,0]=4 637 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,0|0,0,0]=1 638 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,1,0,0,0,0|2,0,0]=3 639 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,1,0,0,0,0|2,0,0]=3 640 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,1,0,0,0,0|3,0,0]=4 641 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,1,0,0,0,0|2,0,1]=4 642 B9R0.4 CCNNC(=O)C=C(C)Cl 22a_100000756455_200042562850 [0,1,0,0,0,0|2,0,1]=4 643 B9R0.4 CCNNC(=O)CC(=O)N 22a_100000756455_100134613110 [0,1,0,0,0,0|2,0,0]=3 644 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [0,1,0,0,0,0|2,0,1]=4 645 B9R0.4 CCNNC(=O)CN(C)C 22a_100000756455_100000750896 [0,1,0,0,0,0|3,0,0]=4 646 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [0,1,0,0,0,0|1,0,2]=4 647 B9R0.4 CCNNC(=O)C[S+](C)C 22a_100000756455_200159257847 [0,1,0,0,0,0|3,0,0]=4 648 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,0|1,0,0]=2 649 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,0|1,0,0]=2 650 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,0|1,0,1]=3 651 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,0|0,0,2]=3 652 B9R0.4 CCOCC(=O)CC(F)F 1458a_100000211967_100011934356 [0,1,0,0,0,0|2,0,1]=4 653 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,1,0,0,0,0|2,0,0]=3 654 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,0|2,0,1]=4 655 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,0|2,0,1]=4 656 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,0|2,0,1]=4 657 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,0|2,0,1]=4 658 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,0|2,0,1]=4 659 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,0|2,0,1]=4 660 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,1,0,0,0,0|3,0,0]=4 661 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,1,0,0,0,0|1,1,0]=3 662 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,1,0,0,0,0|1,1,0]=3 663 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,0|1,1,1]=4 664 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,0|0,1,2]=4 665 B9R0.4 CCSCC(=O)C[N+](=O)[O-] 1458a_100000230394_100000761209 [0,1,0,0,0,0|2,1,0]=4 666 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,1,0,0,0,0|1,1,0]=3 667 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,1,0,0,0,0|2,1,0]=4 668 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,1,0,0,0,0|3,0,0]=4 669 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,1,0,0,0,0|3,0,0]=4 670 B9R0.4 CN(C)CC(=O)NCCF 11a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 671 B9R0.4 CN(C)CC(=O)NCCF 240690a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 672 B9R0.4 CN(C)CC(=O)NCCF 527a_100000724931_100000750896 [0,1,0,0,0,0|3,0,0]=4 673 B9R0.4 CN(C)CC(=O)NCCO 240690a_100000210304_100000750896 [0,1,0,0,0,0|3,0,0]=4 674 B9R0.4 CN(C)CC(=O)NCCO 527a_100000210304_100000750896 [0,1,0,0,0,0|3,0,0]=4 675 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,1,0,0,0,0|3,0,0]=4 676 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.4 COC=CC(=O)CC(=O)N 1458a_100016268678_100000187820 [0,1,0,0,0,0|2,0,1]=4 678 B9R0.4 COC=CC(=O)CC(=O)[O-] 1458a_100016268678_100020667443 [0,1,0,0,0,0|2,0,1]=4 679 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,1,0,0,0,0|2,0,1]=4 680 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,1,0,0,0,0|2,0,1]=4 681 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,1,0,0,0,0|2,0,1]=4 682 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,1,0,0,0,0|2,0,0]=3 683 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,1,0,0,0,0|2,0,0]=3 684 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,1,0,0,0,0|2,0,0]=3 685 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,0|2,0,1]=4 686 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,0|2,0,1]=4 687 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,0|1,0,2]=4 688 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,0|1,0,2]=4 690 B9R0.4 COCCC(=O)C[N+](=O)[O-] 1458a_100000749529_100000761209 [0,1,0,0,0,0|3,0,0]=4 691 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,1,0,0,0,0|3,0,0]=4 692 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,1,0,0,0,0|2,0,1]=4 693 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,1,0,0,0,0|2,0,1]=4 694 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,1,0,0,0,0|2,0,1]=4 695 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,0|2,0,0]=3 696 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,0|2,0,0]=3 697 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,0|2,0,0]=3 698 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,0|2,0,1]=4 699 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,0|2,0,1]=4 700 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,0|1,0,2]=4 701 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,1,0,0,0,0|3,0,0]=4 702 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,0|1,0,2]=4 703 B9R0.4 CSCCC(=O)C[N+](=O)[O-] 1458a_100000174002_100000761209 [0,1,0,0,0,0|3,0,0]=4 704 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,1,0,0,0,0|3,0,0]=4 705 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,1,0,0,0,0|3,0,0]=4 706 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [0,1,0,0,0,0|2,0,1]=4 707 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [0,1,0,0,0,0|2,0,1]=4 708 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,0|1,0,2]=4 709 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,0|1,0,2]=4 710 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [0,1,0,0,0,0|1,0,2]=4 711 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [0,1,0,0,0,0|1,0,2]=4 712 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,1,0,0,0,0|3,0,0]=4 713 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,1,0,0,0,0|3,0,0]=4 714 B9R0.4 C[S+](C)CC(=O)NCCF 11a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 715 B9R0.4 C[S+](C)CC(=O)NCCF 1626a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 716 B9R0.4 C[S+](C)CC(=O)NCCF 240690a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 717 B9R0.4 C[S+](C)CC(=O)NCCF 527a_100000724931_200159257847 [0,1,0,0,0,0|3,0,0]=4 718 B9R0.4 C[S+](C)CC(=O)NCCO 240690a_100000210304_200159257847 [0,1,0,0,0,0|3,0,0]=4 719 B9R0.4 C[S+](C)CC(=O)NCCO 527a_100000210304_200159257847 [0,1,0,0,0,0|3,0,0]=4 720 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100011934036_100000187820 [0,1,0,0,0,0|2,0,1]=4 721 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100134613110_100011215226 [0,1,0,0,0,0|2,0,1]=4 722 B9R0.4 N#CCCC(=O)CC(=O)[O-] 1458a_100011934036_100020667443 [0,1,0,0,0,0|2,0,1]=4 723 B9R0.4 N#CCNC(=O)CC(=O)N 527a_100000734998_100134613110 [0,1,0,0,0,0|2,0,1]=4 724 B9R0.4 NC(=O)CC(=O)C#CCO 1458a_100000049017_100000187820 [0,1,0,0,0,0|2,0,1]=4 725 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,0,0,0,0|2,0,0]=3 726 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,0,0,0,0|2,0,0]=3 727 B9R0.4 NC(=O)CC(=O)NCCF 240690a_100000724931_100134613110 [0,1,0,0,0,0|2,0,0]=3 728 B9R0.4 NC(=O)CC(=O)NCCF 527a_100000724931_100134613110 [0,1,0,0,0,0|2,0,0]=3 729 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [0,1,0,0,0,0|2,0,0]=3 730 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [0,1,0,0,0,0|2,0,0]=3 731 B9R0.4 O=C([O-])CC(=O)C#CCO 1458a_100000049017_100020667443 [0,1,0,0,0,0|2,0,1]=4 732 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,1,0,0,0,0|3,0,0]=4 733 B9R0.6 C#CCC(=O)C(C)C(=O)C 1458a_100011220946_100000179758 [0,1,0,0,0,0|1,0,2]=4 734 B9R0.6 C=CCC(=O)C(C)C(=O)C 1458a_100000210193_100000179758 [0,1,0,0,0,0|1,0,2]=4 735 B9R0.6 CC#CC(=O)C(C)C(=O)C 1458a_100000763181_100000179758 [0,1,0,0,0,0|1,0,1]=3 736 B9R0.6 CC#CC(=O)C(C)C(=O)N 1458a_100000763181_100000702099 [0,1,0,0,0,0|2,0,1]=4 737 B9R0.6 CC#CC(=O)C(F)C(=O)N 1458a_100000763181_100009813875 [0,1,0,0,0,0|2,0,1]=4 738 B9R0.6 CC#CC(=O)C(F)C(=O)[O-] 1458a_100000763181_100020610796 [0,1,0,0,0,0|2,0,1]=4 739 B9R0.6 CC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000179758 [0,1,0,0,0,0|2,0,1]=4 740 B9R0.6 CC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000179758 [0,1,0,0,0,0|2,0,1]=4 741 B9R0.6 CC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000179758 [0,1,0,0,0,0|2,0,1]=4 742 B9R0.6 CC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000179758 [0,1,0,0,0,0|2,0,1]=4 743 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,0,0,0,0|2,0,0]=3 744 B9R0.6 CC(C(=O)N)C(=O)CCO 1458a_100011216618_100000702099 [0,1,0,0,0,0|3,0,0]=4 745 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,1,0,0,0,0|1,0,1]=3 746 B9R0.6 CC=CC(=O)C(C)C(=O)N 1458a_100000210699_100000702099 [0,1,0,0,0,0|2,0,1]=4 747 B9R0.6 CC=CC(=O)C(F)C(=O)N 1458a_100000210699_100009813875 [0,1,0,0,0,0|2,0,1]=4 748 B9R0.6 CC=CC(=O)C(F)C(=O)[O-] 1458a_100000210699_100020610796 [0,1,0,0,0,0|2,0,1]=4 749 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,0|1,0,0]=2 750 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,0,0,0,0|2,0,0]=3 751 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,0,0|2,0,1]=4 752 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,1,0,0,0,0|2,0,0]=3 753 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,1,0,0,0,0|2,0,0]=3 754 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,1,0,0,0,0|3,0,0]=4 755 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,1,0,0,0,0|2,0,1]=4 756 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,0,0,0,0|3,0,0]=4 757 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,0,0,0,0|3,0,0]=4 758 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,0,0|1,0,0]=2 759 B9R0.6 CCNC(=O)C(C)C(C)C 11a_100015525214_100000755409 [0,1,0,0,0,0|2,0,1]=4 760 B9R0.6 CCNC(=O)C(C)C(C)C 240690a_100015525214_100000755409 [0,1,0,0,0,0|2,0,1]=4 761 B9R0.6 CCNC(=O)C(C)C(C)C 527a_100015525214_100000755409 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.6 CCNC(=O)C(C)N(C)C 2230a_100102631434_100000230173 [0,1,0,0,0,0|3,0,0]=4 763 B9R0.6 CCNC(=O)C(C)N(C)C 269982a_100102631434_100000230173 [0,1,0,0,0,0|3,0,0]=4 764 B9R0.6 CCNC(=O)[C@H](C)N(C)C 240690a_100015525214_100009822176 [0,1,0,0,0,0|3,0,0]=4 765 B9R0.6 CCNC(=O)[C@H](C)N(C)C 527a_100015525214_100009822176 [0,1,0,0,0,0|3,0,0]=4 766 B9R0.6 CCNC(=O)[C@H](O)C(C)C 240690a_100015525214_100000691806 [0,1,0,0,0,0|2,0,1]=4 767 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 768 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 769 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,0|0,0,0]=1 771 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,0|0,0,0]=1 772 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,0|0,0,0]=1 773 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,1,0,0,0,0|2,0,0]=3 774 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,1,0,0,0,0|2,0,0]=3 775 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,0,0|0,0,0]=1 776 B9R0.6 CCOC(=O)C(F)N(C)C 2230a_100102631434_100000760018 [0,1,0,0,0,0|2,0,0]=3 777 B9R0.6 CCOC(=O)C(F)N(C)C 269982a_100102631434_100000760018 [0,1,0,0,0,0|2,0,0]=3 778 B9R0.6 CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210202 [0,1,0,0,0,0|2,0,1]=4 779 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,1,0,0,0,0|2,0,0]=3 780 B9R0.6 COCC(=O)C(C)C(=O)N 1458a_100000210968_100000702099 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.6 COCC(=O)C(F)C(=O)N 1458a_100000210968_100009813875 [0,1,0,0,0,0|3,0,0]=4 782 B9R0.6 COCC(=O)C(F)C(=O)[O-] 1458a_100000210968_100020610796 [0,1,0,0,0,0|3,0,0]=4 783 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,1,0,0,0,0|2,0,0]=3 784 B9R0.6 CSCC(=O)C(C)C(=O)N 1458a_100000184570_100000702099 [0,1,0,0,0,0|3,0,0]=4 785 B9R0.6 CSCC(=O)C(F)C(=O)N 1458a_100000184570_100009813875 [0,1,0,0,0,0|3,0,0]=4 786 B9R0.6 CSCC(=O)C(F)C(=O)[O-] 1458a_100000184570_100020610796 [0,1,0,0,0,0|3,0,0]=4 787 B9R0.6 NC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813875 [0,1,0,0,0,0|3,0,0]=4 788 B9R0.6 O=C([O-])C(F)C(=O)CCO 1458a_100011216618_100020610796 [0,1,0,0,0,0|3,0,0]=4 789 B9R0.23 C/C=C(\C)/C(=O)CC(=O)N 1458a_100020587367_100000187820 [0,1,0,0,0,0|2,0,1]=4 790 B9R0.23 C/C=C(\C)/C(=O)CC(=O)[O-] 1458a_100020587367_100020667443 [0,1,0,0,0,0|2,0,1]=4 791 B9R0.23 C=C(C)CC(=O)/C(=C/C)/C 1458a_100020587367_100000748629 [0,1,0,0,0,0|2,0,1]=4 792 B9R0.23 C=C(C)CC(=O)C(=O)NC 1458a_100011218921_100000748629 [0,1,0,0,0,0|3,0,0]=4 793 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,0,0,0,0|2,0,0]=3 794 B9R0.23 C=C(C)CC(=O)C(C)OC 1458a_100000743197_100000748629 [0,1,0,0,0,0|3,0,0]=4 795 B9R0.23 C=C(C)CC(=O)C(C)SC 1458a_100000149566_100000748629 [0,1,0,0,0,0|3,0,0]=4 796 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,1,0,0,0,0|2,0,0]=3 797 B9R0.23 C=C(C)CC(=O)C(O)CO 1458a_100011215603_100000748629 [0,1,0,0,0,0|3,0,0]=4 798 B9R0.23 C=C(F)CC(=O)C(C)CC 1458a_100011192722_100009893438 [0,1,0,0,0,0|2,0,1]=4 799 B9R0.23 C=C(F)CC(=O)C(O)CC 1458a_100011196387_100009893438 [0,1,0,0,0,0|2,0,1]=4 800 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,1,0,0,0,0|2,0,1]=4 802 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,1,0,0,0,0|2,0,1]=4 803 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,0,0,0,0|2,0,0]=3 804 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,0,0,0,0|2,0,0]=3 805 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,0,0,0,0|2,0,0]=3 806 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,1,0,0,0,0|2,0,1]=4 807 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,1,0,0,0,0|2,0,1]=4 808 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,0,0,0,0|1,0,2]=4 809 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [0,1,0,0,0,0|3,0,0]=4 810 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,0,0,0,0|1,0,2]=4 811 B9R0.23 CCC(C)C(=O)C[N+](=O)[O-] 1458a_100011192722_100000761209 [0,1,0,0,0,0|3,0,0]=4 812 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [0,1,0,0,0,0|3,0,0]=4 813 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,1,0,0,0,0|2,0,0]=3 814 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,1,0,0,0,0|2,0,0]=3 815 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,0,0,0,0|2,0,1]=4 816 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,1,0,0,0,0|1,0,2]=4 817 B9R0.23 CCC(O)C(=O)C[N+](=O)[O-] 1458a_100011196387_100000761209 [0,1,0,0,0,0|3,0,0]=4 818 B9R0.23 CCN(C)C(=O)C=C(C)C 11a_100000225621_100000211388 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.23 CCN(C)C(=O)C=C(C)C 1626a_100000225621_100000211388 [0,1,0,0,0,0|2,0,1]=4 820 B9R0.23 CCN(C)C(=O)C=C(C)C 240690a_100000225621_100000211388 [0,1,0,0,0,0|2,0,1]=4 821 B9R0.23 CCN(C)C(=O)C=C(C)Cl 11a_100000225621_200042562850 [0,1,0,0,0,0|2,0,1]=4 822 B9R0.23 CCN(C)C(=O)C=C(C)Cl 1626a_100000225621_200042562850 [0,1,0,0,0,0|2,0,1]=4 823 B9R0.23 CCN(C)C(=O)C=C(C)Cl 240690a_100000225621_200042562850 [0,1,0,0,0,0|2,0,1]=4 824 B9R0.23 CCN(C)C(=O)C=C(C)I 11a_100000225621_100025716642 [0,1,0,0,0,0|2,0,1]=4 825 B9R0.23 CCN(C)C(=O)C=C(C)I 1626a_100000225621_100025716642 [0,1,0,0,0,0|2,0,1]=4 826 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,0,0,0,0|1,0,0]=2 827 B9R0.23 CCN(C)C(=O)CC(=O)N 240690a_100000225621_100134613110 [0,1,0,0,0,0|2,0,0]=3 828 B9R0.23 CCN(C)C(=O)CC(=O)N 527a_100000225621_100134613110 [0,1,0,0,0,0|2,0,0]=3 829 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [0,1,0,0,0,0|2,0,1]=4 830 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [0,1,0,0,0,0|2,0,1]=4 831 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [0,1,0,0,0,0|2,0,1]=4 832 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [0,1,0,0,0,0|2,0,1]=4 833 B9R0.23 CCN(C)C(=O)CN(C)C 11a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 834 B9R0.23 CCN(C)C(=O)CN(C)C 2230a_100102631434_100000738999 [0,1,0,0,0,0|3,0,0]=4 835 B9R0.23 CCN(C)C(=O)CN(C)C 240690a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 836 B9R0.23 CCN(C)C(=O)CN(C)C 269982a_100102631434_100000738999 [0,1,0,0,0,0|3,0,0]=4 837 B9R0.23 CCN(C)C(=O)CN(C)C 527a_100000225621_100000750896 [0,1,0,0,0,0|3,0,0]=4 838 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [0,1,0,0,0,0|1,0,2]=4 839 B9R0.23 CCN(C)C(=O)C[S+](C)C 11a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 840 B9R0.23 CCN(C)C(=O)C[S+](C)C 1626a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 841 B9R0.23 CCN(C)C(=O)C[S+](C)C 240690a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 842 B9R0.23 CCN(C)C(=O)C[S+](C)C 527a_100000225621_200159257847 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,1,0,0,0,0|2,0,1]=4 844 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.23 CNC(=O)C(=O)CC(=O)N 1458a_100011218921_100000187820 [0,1,0,0,0,0|3,0,0]=4 846 B9R0.23 CNC(=O)C(=O)CC(=O)[O-] 1458a_100011218921_100020667443 [0,1,0,0,0,0|3,0,0]=4 847 B9R0.23 COC(C)C(=O)CC(=O)N 1458a_100000743197_100000187820 [0,1,0,0,0,0|3,0,0]=4 848 B9R0.23 COC(C)C(=O)CC(=O)[O-] 1458a_100000743197_100020667443 [0,1,0,0,0,0|3,0,0]=4 849 B9R0.23 CON(C)C(=O)CC(=O)C 1458a_100000070787_100000764215 [0,1,0,0,0,0|2,0,0]=3 850 B9R0.23 CSC(C)C(=O)CC(=O)N 1458a_100000149566_100000187820 [0,1,0,0,0,0|3,0,0]=4 851 B9R0.23 CSC(C)C(=O)CC(=O)[O-] 1458a_100000149566_100020667443 [0,1,0,0,0,0|3,0,0]=4 852 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [0,1,0,0,0,0|3,0,0]=4 853 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [0,1,0,0,0,0|3,0,0]=4 854 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,1,0,0,0,0|1,0,1]=3 855 B9R0.34 C#CC(=O)CC(=O)NCC 1458a_100000211873_100000183381 [0,1,0,0,0,0|1,0,1]=3 856 B9R0.34 C#CC(=O)CC(=O)NCO 1458a_100000211873_100000185155 [0,1,0,0,0,0|2,0,1]=4 857 B9R0.34 C#CC(=O)CC(=O)OC=C 1458a_100000211873_100000036128 [0,1,0,0,0,0|0,0,3]=4 858 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,0|0,0,1]=2 859 B9R0.34 C#CCC(=O)CC(=O)CC 1458a_100011220946_100000747405 [0,1,0,0,0,0|1,0,2]=4 860 B9R0.34 C#CCC(=O)CC(=O)NC 1458a_100011220946_100000183359 [0,1,0,0,0,0|1,0,2]=4 861 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [0,1,0,0,0,0|1,0,2]=4 862 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [0,1,0,0,0,0|1,0,2]=4 863 B9R0.34 C=C(C#N)CC(=O)CCC 1458a_100000211992_100000694840 [0,1,0,0,0,0|2,0,1]=4 864 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,0|2,0,0]=3 865 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,1,0,0,0,0|2,0,0]=3 866 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,1,0,0,0,0|2,0,0]=3 867 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,1,0,0,0,0|2,0,0]=3 868 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,1,0,0,0,0|2,0,0]=3 869 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,0|1,0,1]=3 870 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,1,0,0,0,0|1,0,1]=3 871 B9R0.34 C=CC(=O)CC(=O)NCO 1458a_100000185746_100000185155 [0,1,0,0,0,0|2,0,1]=4 872 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,0|0,0,1]=2 873 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,0|2,0,1]=4 874 B9R0.34 C=CC(C)CC(=O)NCC 11a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 875 B9R0.34 C=CC(C)CC(=O)NCC 240690a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 876 B9R0.34 C=CC(C)CC(=O)NCC 527a_100015525214_100011934298 [0,1,0,0,0,0|2,0,1]=4 877 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [0,1,0,0,0,0|1,0,2]=4 878 B9R0.34 C=CCC(=O)CC(=O)NC 1458a_100000210193_100000183359 [0,1,0,0,0,0|1,0,2]=4 879 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,1,0,0,0,0|1,0,2]=4 880 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,1,0,0,0,0|1,0,2]=4 881 B9R0.34 C=COC(=O)CC(=O)C=C 1458a_100000185746_100000036128 [0,1,0,0,0,0|0,0,3]=4 882 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,1,0,0,0,0|0,0,2]=3 883 B9R0.34 C=COC(=O)CC(=O)CO 1458a_100000210174_100000036128 [0,1,0,0,0,0|0,0,2]=3 884 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,1,0,0,0,0|1,0,1]=3 885 B9R0.34 CC#CC(=O)CC(=O)NC 1458a_100000763181_100000183359 [0,1,0,0,0,0|1,0,1]=3 886 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,1,0,0,0,0|1,0,1]=3 887 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,1,0,0,0,0|1,0,1]=3 888 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,1,0,0,0,0|1,0,1]=3 889 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,0,0,0,0|1,0,1]=3 890 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [0,1,0,0,0,0|2,0,1]=4 891 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.34 CCC(=O)CC(=O)CC#N 1458a_100051588842_100000747405 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,1,0,0,0,0|2,0,0]=3 895 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,0|2,0,0]=3 896 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,0|2,0,0]=3 897 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,1,0,0,0,0|2,0,0]=3 898 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,1,0,0,0,0|2,0,1]=4 900 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,0,0,0,0|2,0,1]=4 901 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,0,0,0,0|2,0,1]=4 902 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,0,0,0,0|2,0,1]=4 903 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,0|1,0,0]=2 905 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,0|1,0,0]=2 906 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,0|1,0,0]=2 907 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,0|1,0,0]=2 908 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,0|1,0,0]=2 909 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,0|1,0,0]=2 910 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,0|2,0,1]=4 911 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,0|2,0,1]=4 912 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,0|1,0,2]=4 913 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,0|1,0,2]=4 914 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,0|3,0,0]=4 916 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,0|3,0,0]=4 917 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,0|2,0,1]=4 918 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,0|1,0,2]=4 919 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,0|2,0,1]=4 920 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,0|2,0,1]=4 921 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,0|2,0,1]=4 922 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,0|2,0,1]=4 923 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,0|2,0,1]=4 924 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,0|2,0,1]=4 925 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,0|2,0,1]=4 926 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,0|3,0,0]=4 928 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,1,0,0,0,0|3,0,0]=4 929 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,1,0,0,0,0|3,0,0]=4 930 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,1,0,0,0,0|3,0,0]=4 931 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,0|3,0,0]=4 933 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,0|2,0,0]=3 935 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,1,0,0,0,0|2,0,0]=3 936 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,1,0,0,0,0|2,0,0]=3 937 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 938 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 939 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,1,0,0,0,0|2,0,0]=3 940 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,1,0,0,0,0|2,0,1]=4 941 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,1,0,0,0,0|2,0,1]=4 942 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,0|1,0,0]=2 943 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,1,0,0,0,0|1,0,0]=2 944 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,0|1,0,0]=2 945 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [0,1,0,0,0,0|2,0,1]=4 946 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [0,1,0,0,0,0|2,0,1]=4 947 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [0,1,0,0,0,0|2,0,1]=4 948 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,1,0,0,0,0|1,0,2]=4 949 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [0,1,0,0,0,0|3,0,0]=4 950 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [0,1,0,0,0,0|3,0,0]=4 951 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [0,1,0,0,0,0|3,0,0]=4 953 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [0,1,0,0,0,0|3,0,0]=4 954 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [0,1,0,0,0,0|3,0,0]=4 955 B9R0.34 CCNC(=O)CN(C)CF 269982a_100000741943_100015361967 [0,1,0,0,0,0|3,0,0]=4 956 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,1,0,0,0,0|2,0,1]=4 957 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,0|0,0,0]=1 958 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,0|0,0,0]=1 959 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,0|0,0,0]=1 960 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,0|0,0,0]=1 961 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,0|0,0,0]=1 962 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [0,1,0,0,0,0|1,0,1]=3 963 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [0,1,0,0,0,0|1,0,1]=3 964 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [0,1,0,0,0,0|0,1,1]=3 965 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [0,1,0,0,0,0|0,1,1]=3 966 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [0,1,0,0,0,0|0,1,1]=3 967 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [0,1,0,0,0,0|0,1,1]=3 968 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [0,1,0,0,0,0|2,0,0]=3 969 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [0,1,0,0,0,0|2,0,0]=3 970 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [0,1,0,0,0,0|2,0,0]=3 971 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [0,1,0,0,0,0|2,0,0]=3 972 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [0,1,0,0,0,0|2,0,0]=3 973 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [0,1,0,0,0,0|2,0,0]=3 974 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [0,1,0,0,0,0|2,0,0]=3 975 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [0,1,0,0,0,0|0,0,2]=3 976 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [0,1,0,0,0,0|0,0,2]=3 977 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [0,1,0,0,0,0|1,1,1]=4 978 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [0,1,0,0,0,0|1,1,1]=4 979 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [0,1,0,0,0,0|1,1,1]=4 980 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [0,1,0,0,0,0|1,1,1]=4 981 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,1,0,0,0,0|1,0,1]=3 982 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [0,1,0,0,0,0|1,1,1]=4 983 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [0,1,0,0,0,0|1,1,1]=4 984 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [0,1,0,0,0,0|1,1,1]=4 985 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [0,1,0,0,0,0|1,1,1]=4 986 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [0,1,0,0,0,0|1,1,1]=4 987 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [0,1,0,0,0,0|1,1,1]=4 988 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,1,0,0,0,0|1,1,1]=4 989 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,1,0,0,0,0|1,1,1]=4 990 B9R0.34 CNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183359 [0,1,0,0,0,0|2,0,1]=4 991 B9R0.34 CNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183359 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.34 CNC(=O)CC(=O)C=CI 1458a_100016256311_100000183359 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.34 CNC(=O)CC(=O)CC#N 1458a_100051588842_100000183359 [0,1,0,0,0,0|2,0,1]=4 994 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,1,0,0,0,0|2,0,0]=3 995 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,1,0,0,0,0|2,0,0]=3 996 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.34 COC(=O)CC(=O)C=CBr 1458a_100016273825_100000747449 [0,1,0,0,0,0|2,0,1]=4 999 B9R0.34 COC(=O)CC(=O)C=CCl 1458a_200016279998_100000747449 [0,1,0,0,0,0|2,0,1]=4 1000 B9R0.34 COC(=O)CC(=O)C=CI 1458a_100016256311_100000747449 [0,1,0,0,0,0|2,0,1]=4 1001 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [0,1,0,0,0,0|2,0,1]=4 1002 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,1,0,0,0,0|2,0,0]=3 1004 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,1,0,0,0,0|2,0,0]=3 1005 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,1,0,0,0,0|2,0,0]=3 1006 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,1,0,0,0,0|2,0,0]=3 1007 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,1,0,0,0,0|2,0,0]=3 1008 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,1,0,0,0,0|2,0,0]=3 1009 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,1,0,0,0,0|2,0,0]=3 1011 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,1,0,0,0,0|3,0,0]=4 1013 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,1,0,0,0,0|2,0,0]=3 1014 B9R0.34 O=C(CO)CC(=O)NCO 1458a_100000210174_100000185155 [0,1,0,0,0,0|2,0,0]=3 1015 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,1,0,0,0,0|2,0,1]=4 1016 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,1,0,0,0,0|1,0,2]=4 1017 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,1,0,0,0,0|2,0,0]=3 1018 B9R0.44 CCCC(=O)CS(=O)(=O)N 1458a_100000211992_100000741382 [0,1,0,0,0,0|3,0,0]=4 1019 B9R0.44 CCCC(=O)CS(=O)(=O)[O-] 1458a_100000211992_100009817235 [0,1,0,0,0,0|3,0,0]=4 1020 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,1,0,0,0,0|3,0,0]=4 1021 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,1,0,0,0,0|2,1,0]=4 1022 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,1,0,0,0,0|2,1,0]=4 1023 B9R0.44 CCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000211992 [0,1,0,0,0,0|3,0,0]=4 1024 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,1,0,0,0,0|2,0,1]=4 1025 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,1,0,0,0,0|2,0,1]=4 1026 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,1,0,0,0,0|2,0,1]=4 1027 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,1,0,0,0,0|1,0,2]=4 1028 B9R0.44 CCNC(=O)CS(=O)(=O)C 11a_100015525214_100000744497 [0,1,0,0,0,0|2,0,0]=3 1029 B9R0.44 CCNC(=O)CS(=O)(=O)C 240690a_100015525214_100000744497 [0,1,0,0,0,0|2,0,0]=3 1030 B9R0.44 CCNC(=O)CS(=O)(=O)C 527a_100015525214_100000744497 [0,1,0,0,0,0|2,0,0]=3 1031 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [0,1,0,0,0,0|3,0,0]=4 1032 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [0,1,0,0,0,0|3,0,0]=4 1033 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [0,1,0,0,0,0|3,0,0]=4 1034 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [0,1,0,0,0,0|2,1,0]=4 1035 B9R0.44 CNNC(=O)CS(=O)(=O)C 22a_100016993582_100000744497 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.44 CS(=O)(=O)CC(=O)CCF 1458a_100000744497_100011217306 [0,1,0,0,0,0|3,0,0]=4 1037 B9R0.44 CS(=O)(=O)CC(=O)CCO 1458a_100000744497_100000211926 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.53 C=C(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748629 [0,1,0,0,0,0|2,0,1]=4 1040 B9R0.53 C=C(C)CC(=O)C=C(C)I 1458a_100025716642_100000748629 [0,1,0,0,0,0|2,0,1]=4 1041 B9R0.53 C=C(C)CC(=O)CC(=O)N 1458a_100134613110_100000748629 [0,1,0,0,0,0|2,0,1]=4 1042 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,0|2,0,0]=3 1043 B9R0.53 C=C(C)CC(=O)CN(C)C 1458a_100000750896_100000748629 [0,1,0,0,0,0|3,0,0]=4 1044 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,1,0,0,0,0|2,0,0]=3 1045 B9R0.53 C=C(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748629 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,1,0,0,0,0|2,0,1]=4 1047 B9R0.53 C=C(F)CC(=O)C[C@@H](C)O 1458a_100011933948_100009893438 [0,1,0,0,0,0|2,0,1]=4 1048 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,1,0,0,0,0|2,0,1]=4 1049 B9R0.53 CC(=CC(=O)CC(=O)N)Cl 1458a_200042562850_100000187820 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.53 CC(=CC(=O)CC(=O)N)I 1458a_100025716642_100000187820 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.53 CC(=CC(=O)CC(=O)[O-])Cl 1458a_200042562850_100020667443 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.53 CC(=CC(=O)CC(=O)[O-])I 1458a_100025716642_100020667443 [0,1,0,0,0,0|2,0,1]=4 1054 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,0|2,0,1]=4 1055 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 1064 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,1,0,0,0,0|2,0,1]=4 1066 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,1,0,0,0,0|2,0,1]=4 1067 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,0,0,0,0|1,0,1]=3 1069 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,1,0,0,0,0|2,0,1]=4 1070 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,0|1,0,0]=2 1071 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,0|0,0,0]=1 1072 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,0|2,0,0]=3 1074 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,0|2,0,0]=3 1075 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,0|2,0,0]=3 1076 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,0,0|1,0,2]=4 1078 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,1,0,0,0,0|3,0,0]=4 1079 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,0,0|1,0,2]=4 1080 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,1,0,0,0,0|3,0,0]=4 1081 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,1,0,0,0,0|3,0,0]=4 1082 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,1,0,0,0,0|2,0,1]=4 1084 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,1,0,0,0,0|2,0,1]=4 1085 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,1,0,0,0,0|2,0,1]=4 1086 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,1,0,0,0,0|2,0,0]=3 1087 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,1,0,0,0,0|2,0,0]=3 1088 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,1,0,0,0,0|3,0,0]=4 1089 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,1,0,0,0,0|3,0,0]=4 1090 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,1,0,0,0,0|3,0,0]=4 1091 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,1,0,0,0,0|3,0,0]=4 1092 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,1,0,0,0,0|3,0,0]=4 1094 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,1,0,0,0,0|3,0,0]=4 1096 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,1,0,0,0,0|3,0,0]=4 1097 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,1,0,0,0,0|1,0,2]=4 1098 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,1,0,0,0,0|3,0,0]=4 1101 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,1,0,0,0,0|3,0,0]=4 1102 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,1,0,0,0,0|2,0,0]=3 1103 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,1,0,0,0,0|2,0,0]=3 1104 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,1,0,0,0,0|2,0,0]=3 1105 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,1,0,0,0,0|3,0,0]=4 1106 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,1,0,0,0,0|1,0,2]=4 1107 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,1,0,0,0,0|3,0,0]=4 1108 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,1,0,0,0,0|3,0,0]=4 1109 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,1,0,0,0,0|3,0,0]=4 1110 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,1,0,0,0,0|2,0,0]=3 1111 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,1,0,0,0,0|2,0,0]=3 1112 B9R0.53 C[C@@H](O)CC(=O)C[N+](=O)[O-] 1458a_100011933948_100000761209 [0,1,0,0,0,0|3,0,0]=4 1113 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,1,0,0,0,0|3,0,0]=4 1114 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,1,0,0,0,0|3,0,0]=4 1115 B9R0.53 NC(=O)CC(=O)CC(F)F 1458a_100134613110_100011934356 [0,1,0,0,0,0|3,0,0]=4 1116 B9R0.58 CC(=O)CC(C)(C)OCF 7a_100000210262_100015361967 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,1,0,0,0,0|1,0,2]=4 1118 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,1,0,0,0,0|1,0,2]=4 1119 B9R0.58 CCCS(=O)(=O)NC(=O)C 2740a_100000171175_100015343762 [0,1,0,0,0,0|3,0,0]=4 1120 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,1,0,0,0,0|1,0,1]=3 1121 B9R0.58 CCO[Si](C)(C)CC(=O)C 1458a_100000070787_200000065227 [0,1,0,0,0,0|1,1,0]=3 1122 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|1,0,1]=3 1123 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|2,0,1]=4 1124 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,0,0,1,0,0|2,0,1]=4 1125 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,1,0,0|2,0,1]=4 1126 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,0|2,0,0]=3 1127 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|2,0,1]=4 1128 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|2,0,1]=4 1129 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|1,0,1]=3 1130 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,1,0,0|0,0,2]=3 1131 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,0|3,0,0]=4 1132 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,1,0,0|1,0,2]=4 1133 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,1,0,0|1,0,2]=4 1134 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,1,0,0|2,0,1]=4 1135 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,0|2,0,0]=3 1136 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|2,0,1]=4 1137 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,0|3,0,0]=4 1138 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,1,0,0|1,0,2]=4 1139 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,0,0,1,0,0|3,0,0]=4 1140 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,0,0,1,0,0|3,0,0]=4 1141 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|1,0,0]=2 1142 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|2,0,1]=4 1143 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,0|0,0,0]=1 1144 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|3,0,0]=4 1145 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|2,0,1]=4 1146 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,0,0,1,0,0|3,0,0]=4 1147 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,0,0,1,0,0|3,0,0]=4 1148 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,0,0,1,0,0|2,0,0]=3 1149 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,0,0,1,0,0|2,0,0]=3 1150 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|3,0,0]=4 1151 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|3,0,0]=4 1152 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|3,0,0]=4 1153 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,0|2,0,1]=4 1154 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,0|2,0,1]=4 1155 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,0|1,0,2]=4 1156 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,0|1,1,1]=4 1157 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,0|1,0,2]=4 1158 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [0,0,0,1,0,0|2,0,1]=4 1159 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [0,0,0,1,0,0|2,0,1]=4 1160 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [0,0,0,1,0,0|2,0,1]=4 1161 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,0,1,0,0|2,0,0]=3 1162 B9R1.137 C=C(C)CC(=O)C1CO1 1458a_100000701028_100000748629 [0,0,0,1,0,0|3,0,0]=4 1163 B9R1.137 C=C(F)CC(=O)C1CC1 1458a_100000210395_100009893438 [0,0,0,1,0,0|2,0,1]=4 1164 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,0,0,1,0,0|2,0,1]=4 1165 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,0,0,1,0,0|2,0,1]=4 1166 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,0,0,1,0,0|1,0,0]=2 1167 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,0,0,1,0,0|2,0,1]=4 1168 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,0,0,1,0,0|1,0,2]=4 1169 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [0,0,0,1,0,0|3,0,0]=4 1170 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [0,0,0,1,0,0|3,0,0]=4 1171 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,0,0,1,0,0|2,0,0]=3 1172 B9R1.137 NC(=O)CC(=O)C1CO1 1458a_100000701028_100000187820 [0,0,0,1,0,0|3,0,0]=4 1173 B9R1.137 O=C(C[N+](=O)[O-])C1CC1 1458a_100000210395_100000761209 [0,0,0,1,0,0|3,0,0]=4 1174 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,0,0,1,0,0|2,0,0]=3 1175 B9R1.137 O=C([O-])CC(=O)C1CO1 1458a_100000701028_100020667443 [0,0,0,1,0,0|3,0,0]=4 1176 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,0,1,0,0|2,0,1]=4 1177 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,0|2,0,1]=4 1178 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,0|2,0,1]=4 1179 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [0,0,0,1,0,0|2,0,1]=4 1180 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [0,0,0,1,0,0|2,0,1]=4 1181 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 1182 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 1183 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [0,0,0,1,0,0|2,0,1]=4 1184 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,0,0,0,1,0|2,0,1]=4 1185 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,1,0|2,0,0]=3 1186 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,0,0,0,1,0|3,0,0]=4 1187 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,0,0,0,1,0|3,0,0]=4 1188 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,0,0,1,0|2,0,0]=3 1189 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,0,0,0,1,0|3,0,0]=4 1190 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,0,0,0,1,0|2,0,1]=4 1191 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,0,0,0,1,0|2,0,1]=4 1192 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,0,0,1,0|2,0,0]=3 1193 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,0,0,1,0|2,0,0]=3 1194 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,0,0,1,0|2,0,1]=4 1195 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,0,0,1,0|2,0,0]=3 1196 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,0,0,1,0|2,0,0]=3 1197 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,0,0,1,0|2,0,1]=4 1198 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,0,0,1,0|2,0,1]=4 1199 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,0,0,1,0|2,0,1]=4 1200 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,0,0,0,1,0|3,0,0]=4 1201 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,0,0,0,1,0|3,0,0]=4 1202 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,0,0,0,1,0|3,0,0]=4 1203 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,0,0,0,1,0|3,0,0]=4 1204 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,1,0|1,0,2]=4 1205 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,1,0|1,0,2]=4 1206 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,0,0,1,0|2,0,1]=4 1207 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,0,0,1,0|2,0,1]=4 1208 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,0,0,1,0|2,0,1]=4 1209 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,0,0,1,0|3,0,0]=4 1210 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,0,0,1,0|3,0,0]=4 1211 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,0,0,1,0|3,0,0]=4 1212 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,0,0,1,0|3,0,0]=4 1213 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,0,0,1,0|1,0,2]=4 1214 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,0,0,1,0|1,0,2]=4 1215 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,1,0|1,0,0]=2 1216 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,0,0,1,0|2,0,0]=3 1217 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,1,0|1,0,0]=2 1218 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,0,0,0,1,0|2,0,1]=4 1219 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,0,0,0,1,0|2,0,1]=4 1220 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,0,0,0,1,0|2,0,1]=4 1221 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,0,0,0,1,0|2,0,1]=4 1222 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,0,0,0,1,0|2,0,1]=4 1223 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,0,0,0,1,0|2,0,1]=4 1224 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,0,0,0,1,0|3,0,0]=4 1225 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,0,0,0,1,0|1,0,2]=4 1226 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,0,0,0,1,0|1,0,2]=4 1227 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,0,0,1,0|2,0,1]=4 1228 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,0,0,1,0|1,0,1]=3 1229 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,0,0,1,0|1,0,1]=3 1230 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,0,0,1,0|2,0,1]=4 1231 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,0,0,1,0|1,0,1]=3 1232 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,0,0,1,0|2,0,1]=4 1233 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,0,0,1,0|2,0,1]=4 1234 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,0,0,1,0|2,0,1]=4 1235 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,0,0,1,0|2,0,1]=4 1236 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,0,0,1,0|2,0,1]=4 1237 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,0,0,1,0|1,1,1]=4 1238 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,0,0,1,0|1,1,1]=4 1239 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,0,0,1,0|1,1,1]=4 1240 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,0,0,1,0|1,1,1]=4 1241 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,0,0,1,0|2,0,0]=3 1242 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,0,0,0,1,0|3,0,0]=4 1243 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,0,0,0,1,0|3,0,0]=4 1244 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,0,0,0,1,0|3,0,0]=4 1245 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,0,0,1,0|2,0,0]=3 1246 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,0,0,1,0|2,0,0]=3 1247 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,0,0,1,0|2,0,0]=3 1248 B9R0.48 C#CCC(=O)CNC(=O)C 1458a_100000194580_100000184674 [0,0,0,0,0,1|1,0,2]=4 1249 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,0,0,0,0,1|1,0,2]=4 1250 B9R0.48 C#CCC(=O)CSC(=O)C 1458a_100000049016_100000184674 [0,0,0,0,0,1|1,0,2]=4 1251 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,0,0,0,0,1|2,0,1]=4 1252 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,0,0,0,0,1|2,0,1]=4 1253 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,0,1|2,0,0]=3 1254 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,0,1|2,0,0]=3 1255 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,0,0,0,0,1|3,0,0]=4 1256 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,0,0,0,0,1|3,0,0]=4 1257 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,0,0,0,0,1|3,0,0]=4 1258 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,0,0,0,0,1|3,0,0]=4 1259 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,0,0,0,0,1|3,0,0]=4 1260 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,0,1|2,0,0]=3 1261 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,0,1|2,0,0]=3 1262 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,0,1|2,0,0]=3 1263 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,0,0,0,0,1|3,0,0]=4 1264 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [0,0,0,0,0,1|2,0,1]=4 1265 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [0,0,0,0,0,1|2,0,1]=4 1266 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [0,0,0,0,0,1|2,0,1]=4 1267 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,0,1|2,0,0]=3 1268 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,0,1|2,0,0]=3 1269 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,0,1|2,0,0]=3 1270 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,0,1|2,0,0]=3 1271 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,0,0,0,0,1|3,0,0]=4 1272 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,0,0,0,0,1|3,0,0]=4 1273 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,0,0,0,0,1|3,0,0]=4 1274 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,0,0,0,0,1|3,0,0]=4 1275 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,0,0,0,0,1|3,0,0]=4 1276 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,0,0,0,0,1|3,0,0]=4 1277 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,0,0,0,0,1|3,0,0]=4 1278 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,0,0,0,0,1|3,0,0]=4 1279 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,0,0,0,0,1|3,0,0]=4 1280 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,0,0,0,0,1|2,0,0]=3 1281 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,0,0,0,0,1|2,0,0]=3 1282 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,0,0,0,0,1|2,0,0]=3 1283 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,0,0,0,0,1|2,0,0]=3 1284 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,0,0,0,0,1|2,0,0]=3 1285 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,0,0,0,0,1|2,0,0]=3 1286 B9R0.48 C=C(C)CNC(=O)NNC 273464a_100000765925_100016993582 [0,0,0,0,0,1|3,0,0]=4 1287 B9R0.48 C=C(C)CNC(=O)NNC 512a_100000765925_100016993582 [0,0,0,0,0,1|3,0,0]=4 1288 B9R0.48 C=C(C)CNC(=O)NNC 512a_100016993582_100000765925 [0,0,0,0,0,1|3,0,0]=4 1289 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,0,0,0,0,1|1,0,2]=4 1290 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,0,0,0,0,1|1,0,2]=4 1291 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,0,0,0,0,1|1,0,2]=4 1292 B9R0.48 CC#CC(=O)CC=C(C)C 1458a_100000763181_100000761012 [0,0,0,0,0,1|2,0,1]=4 1293 B9R0.48 CC#CC(=O)NNC(=O)C 22a_100000189765_100000763181 [0,0,0,0,0,1|2,0,1]=4 1294 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,0,0,0,0,1|3,0,0]=4 1295 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,0,0,0,0,1|3,0,0]=4 1296 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,0,0,0,0,1|3,0,0]=4 1297 B9R0.48 CC(=O)NCC(=O)CC#N 1458a_100000194580_100011214920 [0,0,0,0,0,1|2,0,1]=4 1298 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,0,0,0,0,1|2,0,0]=3 1299 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,0,0,0,0,1|2,0,0]=3 1300 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [0,0,0,0,0,1|3,0,0]=4 1301 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,0,0,0,0,1|3,0,0]=4 1302 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,0,0,0,0,1|3,0,0]=4 1303 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,0,0,0,0,1|2,0,1]=4 1304 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,0,0,0,0,1|2,0,0]=3 1305 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,0,0,0,0,1|2,0,0]=3 1306 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,0,0,0,0,1|2,0,0]=3 1307 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,0,0,0,0,1|2,0,0]=3 1308 B9R0.48 CC(=O)SCC(=O)CC#N 1458a_100000049016_100011214920 [0,0,0,0,0,1|2,0,1]=4 1309 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,0,0,0,0,1|2,0,0]=3 1310 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,0,0,0,0,1|2,0,0]=3 1311 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,0,0,0,0,1|2,0,1]=4 1312 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,0,0,0,0,1|2,0,1]=4 1313 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,0,0,0,0,1|2,0,1]=4 1314 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,0,0,0,0,1|2,0,1]=4 1315 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,0,0,0,0,1|3,0,0]=4 1316 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,0,1|2,0,0]=3 1317 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,0,1|2,0,0]=3 1318 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,0,1|2,0,0]=3 1319 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,0,1|2,0,1]=4 1320 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,0,1|2,0,1]=4 1321 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,0,1|1,0,2]=4 1322 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,0,0,0,0,1|3,0,0]=4 1323 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,0,0,0,0,1|3,0,0]=4 1324 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,0,1|1,0,0]=2 1325 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,0,0,0,0,1|2,0,0]=3 1326 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,0,0,0,1|2,0,1]=4 1327 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,0,1|1,0,0]=2 1328 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,0,0,0,0,1|2,0,1]=4 1329 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,0,1|1,0,0]=2 1330 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,0,0,0,0,1|2,0,1]=4 1331 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,0,0,0,0,1|2,0,1]=4 1332 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,0,0,0,0,1|2,0,1]=4 1333 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,0,0,0,0,1|2,0,0]=3 1334 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,0,0,0,0,1|2,0,0]=3 1335 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,0,0,0,0,1|2,0,0]=3 1336 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,0,0,0,0,1|2,0,1]=4 1337 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,0,0,0,0,1|2,0,1]=4 1338 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,0,0,0,0,1|2,0,1]=4 1339 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,0,0,0,0,1|2,0,1]=4 1340 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,0,1|1,0,2]=4 1341 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,0,1|1,0,2]=4 1342 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,0,1|1,0,2]=4 1343 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,0,0,0,0,1|2,0,0]=3 1344 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,0,0,0,0,1|2,0,0]=3 1345 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,0,1|1,0,0]=2 1346 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,0,0,0,0,1|3,0,0]=4 1347 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,0,0,0,0,1|3,0,0]=4 1348 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,0,0,0,0,1|2,0,1]=4 1349 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,0,0,0,0,1|3,0,0]=4 1350 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,0,0,0,0,1|3,0,0]=4 1351 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,0,1|2,0,0]=3 1352 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,0,1|2,0,0]=3 1353 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,0,1|2,0,0]=3 1354 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,0,1|1,0,0]=2 1355 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,0,0,0,0,1|2,0,0]=3 1356 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,0,0,0,0,1|2,0,0]=3 1357 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,0,1|1,0,0]=2 1358 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,0,0,0,0,1|2,0,1]=4 1359 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,0,0,0,0,1|2,0,1]=4 1360 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,0,0,0,0,1|2,0,1]=4 1361 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,0,0,0,0,1|3,0,0]=4 1362 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,0,0,0,0,1|3,0,0]=4 1363 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,0,0,0,0,1|3,0,0]=4 1364 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,0,0,0,0,1|3,0,0]=4 1365 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,0,0,0,0,1|3,0,0]=4 1366 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,0,0,0,0,1|3,0,0]=4 1367 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,0,0,0,0,1|3,0,0]=4 1368 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,0,0,0,0,1|3,0,0]=4 1369 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,0,0,0,0,1|3,0,0]=4 1370 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,0,1|1,0,0]=2 1371 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,0,1|1,0,0]=2 1372 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,0,1|1,0,0]=2 1373 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,0,1|1,0,0]=2 1374 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,0,1|1,0,0]=2 1375 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,0,1|1,0,0]=2 1376 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,0,1|1,0,0]=2 1377 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,0,0,0,0,1|2,0,0]=3 1378 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,0,0,0,0,1|2,0,0]=3 1379 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,0,0,0,0,1|2,0,1]=4 1380 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,0,0,0,0,1|2,0,1]=4 1381 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,0,0,0,0,1|2,0,1]=4 1382 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,0,1|1,0,0]=2 1383 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,0,1|1,0,0]=2 1384 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,0,0,0,0,1|2,0,1]=4 1385 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,0,0,0,0,1|2,0,1]=4 1386 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,0,0,0,0,1|2,0,1]=4 1387 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,0,0,0,0,1|2,0,1]=4 1388 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,0,1|1,0,0]=2 1389 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,0,1|1,0,0]=2 1390 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,0,0,0,0,1|2,0,0]=3 1391 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,0,0,0,0,1|2,0,1]=4 1392 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,0,0,0,0,1|2,0,1]=4 1393 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,0,0,0,0,1|2,0,1]=4 1394 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,0,0,0,0,1|2,0,1]=4 1395 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,0,0,0,0,1|2,0,1]=4 1396 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,0,0,0,0,1|2,0,0]=3 1397 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,0,0,0,0,1|2,0,0]=3 1398 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,0,0,0,0,1|2,0,0]=3 1399 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,0,0,0,0,1|2,0,0]=3 1400 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,0,0,0,0,1|2,0,1]=4 1401 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,0,0,0,0,1|2,0,1]=4 1402 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,0,0,0,0,1|2,0,1]=4 1403 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,0,0,0,0,1|2,0,1]=4 1404 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,0,0,0,0,1|2,0,1]=4 1405 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,0,0,0,0,1|2,0,1]=4 1406 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,0,0,0,0,1|1,0,2]=4 1407 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,0,0,0,0,1|1,0,2]=4 1408 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,0,0,0,0,1|1,0,2]=4 1409 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,0,0,0,0,1|1,0,2]=4 1410 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,0,0,0,0,1|1,0,2]=4 1411 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,0,0,0,0,1|2,0,0]=3 1412 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,0,0,0,0,1|2,0,0]=3 1413 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,0,0,0,0,1|2,0,1]=4 1414 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,1|0,0,1]=2 1415 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,1|0,0,1]=2 1416 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,1|0,0,0]=1 1417 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,1|0,0,0]=1 1418 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,0,0,0,0,1|2,0,0]=3 1419 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,0,0,0,0,1|2,0,0]=3 1420 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,0,0,0,0,1|2,0,0]=3 1421 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,0,0,0,0,1|2,0,0]=3 1422 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,0,0,0,0,1|2,0,0]=3 1423 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,0,0,0,0,1|2,0,0]=3 1424 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,1|0,0,0]=1 1425 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,0,0,0,1|1,0,1]=3 1426 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,0,0,0,1|1,0,1]=3 1427 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,0,0,0,0,1|1,0,1]=3 1428 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,0,0,0,1|1,0,1]=3 1429 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,0,0,0,1|1,0,1]=3 1430 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,1|0,0,0]=1 1431 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,1|0,0,0]=1 1432 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,0,0,0,0,1|2,0,0]=3 1433 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,0,0,0,0,1|3,0,0]=4 1434 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,0,0,0,0,1|3,0,0]=4 1435 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,0,0,0,0,1|3,0,0]=4 1436 B9R0.48 CNNC(=O)CC=C(C)C 22a_100016993582_100011220947 [0,0,0,0,0,1|3,0,0]=4 1437 B9R0.48 CNNC(=O)CCC(=O)N 22a_100016993582_100011215257 [0,0,0,0,0,1|3,0,0]=4 1438 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,0,0,0,0,1|2,0,0]=3 1439 B9R0.48 CNNC(=O)CNC(=O)N 22a_100016993582_100000184981 [0,0,0,0,0,1|3,0,0]=4 1440 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,0,0,0,0,1|2,0,0]=3 1441 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [0,0,0,0,0,1|3,0,0]=4 1442 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [0,0,0,0,0,1|3,0,0]=4 1443 B9R0.48 CNNC(=O)NNC(=O)C 512a_100000189765_100016993582 [0,0,0,0,0,1|3,0,0]=4 1444 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,0,0,0,0,1|3,0,0]=4 1445 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,0,0,0,0,1|2,0,0]=3 1446 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,0,0,0,0,1|3,0,0]=4 1447 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,0,0,0,0,1|3,0,0]=4 1448 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,0,0,0,0,1|3,0,0]=4 1449 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,0,0,0,0,1|3,0,0]=4 1450 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,0,0,0,0,1|3,0,0]=4 1451 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,0,0,0,0,1|3,0,0]=4 1452 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,0,0,0,0,1|2,0,0]=3 1453 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,0,0,0,0,1|2,0,0]=3 1454 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,0,0,0,0,1|3,0,0]=4 1455 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,0,0,0,0,1|3,0,0]=4 1456 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,0,0,0,0,1|3,0,0]=4 1457 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,0,0,0,0,1|3,0,0]=4 1458 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,0,0,0,0,1|3,0,0]=4 1459 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,0,0,0,0,1|3,0,0]=4 1460 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,0,0,0,0,1|3,0,0]=4 1461 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,0,0,0,0,1|3,0,0]=4 1462 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,0,0,0,0,1|3,0,0]=4 1463 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,0,0,0,0,1|3,0,0]=4 1464 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,0,0,0,0,1|3,0,0]=4 1465 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,0,0,0,0,1|3,0,0]=4 1466 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [2,0,0,0,0,0|0,0,2]=4 1467 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [2,0,0,0,0,0|0,0,2]=4 1468 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,1]=4 1469 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|1,0,1]=4 1470 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|0,0,1]=3 1471 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|0,0,1]=3 1472 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [2,0,0,0,0,0|1,0,1]=4 1473 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [2,0,0,0,0,0|1,0,1]=4 1474 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [2,0,0,0,0,0|1,0,1]=4 1475 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 1476 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 1477 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 1478 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [2,0,0,0,0,0|0,0,2]=4 1479 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|0,0,1]=3 1480 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [2,0,0,0,0,0|1,0,1]=4 1481 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [2,0,0,0,0,0|1,0,1]=4 1482 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [2,0,0,0,0,0|1,0,1]=4 1483 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [2,0,0,0,0,0|1,0,1]=4 1484 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [2,0,0,0,0,0|1,0,1]=4 1485 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [2,0,0,0,0,0|1,0,1]=4 1486 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [2,0,0,0,0,0|1,0,1]=4 1487 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [2,0,0,0,0,0|1,0,1]=4 1488 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [2,0,0,0,0,0|1,0,1]=4 1489 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,1]=4 1490 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|0,0,2]=4 1491 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|0,0,2]=4 1492 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,0]=3 1493 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,0]=3 1494 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,0]=3 1495 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,0]=3 1496 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,0]=3 1497 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,0]=3 1498 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,0]=3 1499 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,0]=3 1500 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,0]=3 1501 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [2,0,0,0,0,0|2,0,0]=4 1502 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,1]=3 1503 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,1]=3 1504 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 1505 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|1,0,1]=4 1506 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,1]=4 1507 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 1508 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 1509 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,1]=4 1510 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [2,0,0,0,0,0|2,0,0]=4 1511 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [2,0,0,0,0,0|2,0,0]=4 1512 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 1513 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 1514 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,0]=3 1515 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 1516 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 1517 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 1518 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 1519 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 1520 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 1521 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 1522 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 1523 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [2,0,0,0,0,0|1,0,1]=4 1524 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [2,0,0,0,0,0|1,0,1]=4 1525 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 1526 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 1527 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1528 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1529 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 1530 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 1531 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 1532 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 1533 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 1534 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1535 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1536 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 1537 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 1538 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 1539 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 1540 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 1541 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 1542 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 1543 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 1544 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 1545 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 1546 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|1,0,0]=3 1547 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|1,0,0]=3 1548 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|1,0,0]=3 1549 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|1,0,0]=3 1550 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|1,0,0]=3 1551 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|1,0,0]=3 1552 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [2,0,0,0,0,0|2,0,0]=4 1553 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|1,0,0]=3 1554 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [2,0,0,0,0,0|2,0,0]=4 1555 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [2,0,0,0,0,0|1,0,0]=3 1556 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [2,0,0,0,0,0|1,0,1]=4 1557 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [2,0,0,0,0,0|1,0,1]=4 1558 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [2,0,0,0,0,0|1,0,1]=4 1559 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [2,0,0,0,0,0|1,0,1]=4 1560 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [2,0,0,0,0,0|1,0,1]=4 1561 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [2,0,0,0,0,0|1,0,1]=4 1562 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [2,0,0,0,0,0|1,0,1]=4 1563 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [2,0,0,0,0,0|1,0,0]=3 1564 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [2,0,0,0,0,0|1,0,0]=3 1565 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [2,0,0,0,0,0|0,0,1]=3 1566 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [2,0,0,0,0,0|1,0,1]=4 1567 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [2,0,0,0,0,0|1,0,1]=4 1568 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [2,0,0,0,0,0|0,0,2]=4 1569 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [2,0,0,0,0,0|2,0,0]=4 1570 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [2,0,0,0,0,0|0,0,2]=4 1571 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [2,0,0,0,0,0|1,0,1]=4 1572 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [2,0,0,0,0,0|2,0,0]=4 1573 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [2,0,0,0,0,0|1,0,1]=4 1574 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [2,0,0,0,0,0|2,0,0]=4 1575 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [2,0,0,0,0,0|2,0,0]=4 1576 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [2,0,0,0,0,0|2,0,0]=4 1577 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [2,0,0,0,0,0|0,0,2]=4 1578 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [2,0,0,0,0,0|2,0,0]=4 1579 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [2,0,0,0,0,0|1,0,0]=3 1580 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,1]=3 1581 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,0,1]=4 1582 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,0,1]=4 1583 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,0,1]=4 1584 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 1585 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|1,0,0]=3 1586 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|1,0,0]=3 1587 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [2,0,0,0,0,0|2,0,0]=4 1588 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|1,1,0]=4 1589 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|1,1,0]=4 1590 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [2,0,0,0,0,0|1,0,1]=4 1591 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [2,0,0,0,0,0|1,0,1]=4 1592 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 1593 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 1594 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 1595 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|0,0,1]=3 1596 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|0,0,1]=3 1597 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|0,1,1]=4 1598 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|0,1,1]=4 1599 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|1,0,0]=3 1600 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,1]=3 1601 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,1]=3 1602 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,1]=3 1603 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 1604 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 1605 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,1]=3 1606 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,1]=3 1607 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,1]=3 1608 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,1]=3 1609 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,1]=3 1610 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1611 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1612 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,1]=4 1613 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,1]=4 1614 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 1615 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 1616 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 1617 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 1618 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|0,0,0]=2 1619 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|0,0,0]=2 1620 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|1,0,0]=3 1621 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|0,0,0]=2 1622 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,0]=3 1623 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|1,0,1]=4 1624 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|1,0,1]=4 1625 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|1,0,1]=4 1626 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|1,0,1]=4 1627 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|0,0,2]=4 1628 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [2,0,0,0,0,0|2,0,0]=4 1629 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|1,0,1]=4 1630 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|1,0,1]=4 1631 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|0,0,2]=4 1632 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [2,0,0,0,0,0|2,0,0]=4 1633 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|0,1,0]=3 1634 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|1,1,0]=4 1635 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|1,1,0]=4 1636 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|0,1,0]=3 1637 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,1,0]=4 1638 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,1,0]=4 1639 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 1640 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 1641 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|0,0,1]=3 1642 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|0,0,1]=3 1643 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|0,0,1]=3 1644 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|0,0,1]=3 1645 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|0,0,1]=3 1646 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|0,0,1]=3 1647 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|1,0,1]=4 1648 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|1,0,1]=4 1649 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|1,0,1]=4 1650 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|0,0,1]=3 1651 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,0,1]=4 1652 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|0,1,1]=4 1653 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|0,1,1]=4 1654 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|0,1,1]=4 1655 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|0,1,1]=4 1656 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|0,1,1]=4 1657 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 1658 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|1,0,1]=4 1659 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|1,0,1]=4 1660 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|0,0,2]=4 1661 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|0,0,2]=4 1662 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|0,0,2]=4 1663 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|0,0,2]=4 1664 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 1665 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|2,0,0]=4 1666 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 1667 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|2,0,0]=4 1668 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|2,0,0]=4 1669 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|2,0,0]=4 1670 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|2,0,0]=4 1671 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|2,0,0]=4 1672 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|2,0,0]=4 1673 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|2,0,0]=4 1674 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|0,0,2]=4 1675 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,2]=4 1676 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,2]=4 1677 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,2]=4 1678 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|2,0,0]=4 1679 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|2,0,0]=4 1680 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|2,0,0]=4 1681 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 1682 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 1683 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,1]=4 1684 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 1685 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 1686 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 1687 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 1688 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 1689 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 1690 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 1691 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 1692 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 1693 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 1694 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 1695 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 1696 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 1697 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 1698 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 1699 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 1700 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 1701 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 1702 B8R0.2 C#CC(=O)C(C)C(=O)C 1458a_100000211873_100000179758 [1,1,0,0,0,0|0,0,2]=4 1703 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [1,1,0,0,0,0|0,0,2]=4 1704 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [1,1,0,0,0,0|1,0,0]=3 1705 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [1,1,0,0,0,0|2,0,0]=4 1706 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [1,1,0,0,0,0|0,0,0]=2 1707 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [1,1,0,0,0,0|0,0,0]=2 1708 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [1,1,0,0,0,0|1,0,0]=3 1709 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [1,1,0,0,0,0|1,0,1]=4 1710 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [1,1,0,0,0,0|2,0,0]=4 1711 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [1,1,0,0,0,0|2,0,0]=4 1712 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [1,1,0,0,0,0|1,0,0]=3 1713 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [1,1,0,0,0,0|1,0,0]=3 1714 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [1,1,0,0,0,0|2,0,0]=4 1715 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [1,1,0,0,0,0|1,0,1]=4 1716 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [1,1,0,0,0,0|2,0,0]=4 1717 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [1,1,0,0,0,0|2,0,0]=4 1718 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [1,1,0,0,0,0|2,0,0]=4 1719 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [1,1,0,0,0,0|2,0,0]=4 1720 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [1,1,0,0,0,0|1,0,0]=3 1721 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [1,1,0,0,0,0|1,0,0]=3 1722 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [1,1,0,0,0,0|0,0,0]=2 1723 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [1,1,0,0,0,0|0,0,0]=2 1724 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [1,1,0,0,0,0|0,0,0]=2 1725 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [1,1,0,0,0,0|2,0,0]=4 1726 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [1,1,0,0,0,0|2,0,0]=4 1727 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [1,1,0,0,0,0|2,0,0]=4 1728 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [1,1,0,0,0,0|2,0,0]=4 1729 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [1,1,0,0,0,0|2,0,0]=4 1730 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [1,1,0,0,0,0|2,0,0]=4 1731 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [1,1,0,0,0,0|2,0,0]=4 1732 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [1,1,0,0,0,0|2,0,0]=4 1733 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [1,1,0,0,0,0|1,0,1]=4 1734 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [1,1,0,0,0,0|2,0,0]=4 1735 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [1,1,0,0,0,0|2,0,0]=4 1736 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [1,1,0,0,0,0|0,0,2]=4 1737 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [1,1,0,0,0,0|0,0,2]=4 1738 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [1,1,0,0,0,0|0,0,2]=4 1739 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [1,1,0,0,0,0|0,0,1]=3 1740 B8R0.19 C#CC(=O)CC(=O)NC 1458a_100000211873_100000183359 [1,1,0,0,0,0|0,0,2]=4 1741 B8R0.19 C#CC(=O)CC(=O)OC 1458a_100000211873_100000747449 [1,1,0,0,0,0|0,0,1]=3 1742 B8R0.19 C=C(C#N)CC(=O)CC 1458a_100000210414_100000694840 [1,1,0,0,0,0|1,0,1]=4 1743 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [1,1,0,0,0,0|0,0,1]=3 1744 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [1,1,0,0,0,0|0,0,2]=4 1745 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [1,1,0,0,0,0|0,0,1]=3 1746 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [1,1,0,0,0,0|1,0,1]=4 1747 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [1,1,0,0,0,0|1,0,1]=4 1748 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [1,1,0,0,0,0|1,0,1]=4 1749 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [1,1,0,0,0,0|1,0,1]=4 1750 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [1,1,0,0,0,0|1,0,1]=4 1751 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [1,1,0,0,0,0|1,0,1]=4 1752 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|0,0,0]=2 1753 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [1,1,0,0,0,0|0,0,0]=2 1754 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|0,0,0]=2 1755 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|0,0,0]=2 1756 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|0,0,0]=2 1757 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|1,0,1]=4 1758 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|1,0,1]=4 1759 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,2]=4 1760 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,2]=4 1761 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|2,0,0]=4 1762 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|2,0,0]=4 1763 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|1,0,1]=4 1764 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|0,0,2]=4 1765 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,1]=4 1766 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,1]=4 1767 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,1]=4 1768 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 1769 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 1770 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,1]=4 1771 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|0,0,2]=4 1772 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|0,0,2]=4 1773 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|0,0,2]=4 1774 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|0,0,2]=4 1775 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [1,1,0,0,0,0|2,0,0]=4 1776 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 1777 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 1778 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 1779 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 1780 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 1781 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 1782 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 1783 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 1784 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,1]=4 1785 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [1,1,0,0,0,0|1,0,0]=3 1786 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [1,1,0,0,0,0|0,0,0]=2 1787 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|1,0,1]=4 1788 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|1,0,1]=4 1789 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|1,0,1]=4 1790 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [1,1,0,0,0,0|0,0,0]=2 1791 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|0,0,0]=2 1792 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|0,0,2]=4 1793 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|0,1,1]=4 1794 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|0,1,1]=4 1795 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|0,1,1]=4 1796 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|0,1,1]=4 1797 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [1,1,0,0,0,0|1,0,1]=4 1798 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [1,1,0,0,0,0|1,0,1]=4 1799 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [1,1,0,0,0,0|1,0,1]=4 1800 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [1,1,0,0,0,0|1,0,0]=3 1801 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [1,1,0,0,0,0|1,0,0]=3 1802 B8R0.23 C=C(C)CC(=O)C(O)O 1458a_100000233687_100000748629 [1,1,0,0,0,0|2,0,0]=4 1803 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [1,1,0,0,0,0|1,0,0]=3 1804 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [1,1,0,0,0,0|1,0,0]=3 1805 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [1,1,0,0,0,0|1,0,1]=4 1806 B8R0.23 C=C(F)CC(=O)C(C)F 1458a_100000062450_100009893438 [1,1,0,0,0,0|1,0,1]=4 1807 B8R0.23 C=C(F)CC(=O)[C@@H](C)O 1458a_100000717761_100009893438 [1,1,0,0,0,0|1,0,1]=4 1808 B8R0.23 C=C(F)CC(=O)[C@H](C)O 1458a_217856618621_100009893438 [1,1,0,0,0,0|1,0,1]=4 1809 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [1,1,0,0,0,0|1,0,1]=4 1810 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [1,1,0,0,0,0|1,0,1]=4 1811 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [1,1,0,0,0,0|1,0,1]=4 1812 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|0,0,1]=3 1813 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [1,1,0,0,0,0|0,0,0]=2 1814 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [1,1,0,0,0,0|1,0,0]=3 1815 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [1,1,0,0,0,0|1,0,0]=3 1817 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [1,1,0,0,0,0|1,0,0]=3 1818 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [1,1,0,0,0,0|1,0,0]=3 1819 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [1,1,0,0,0,0|2,0,0]=4 1820 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [1,1,0,0,0,0|2,0,0]=4 1821 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [1,1,0,0,0,0|2,0,0]=4 1822 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [1,1,0,0,0,0|0,0,2]=4 1823 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [1,1,0,0,0,0|2,0,0]=4 1824 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [1,1,0,0,0,0|2,0,0]=4 1825 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [1,1,0,0,0,0|1,0,1]=4 1826 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [1,1,0,0,0,0|1,0,1]=4 1827 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [1,1,0,0,0,0|1,0,1]=4 1828 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|1,0,1]=4 1829 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|1,0,1]=4 1830 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [1,1,0,0,0,0|2,0,0]=4 1831 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [1,1,0,0,0,0|1,0,0]=3 1832 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [1,1,0,0,0,0|1,0,0]=3 1833 B8R0.23 CC(F)C(=O)C[N+](=O)[O-] 1458a_100000062450_100000761209 [1,1,0,0,0,0|2,0,0]=4 1834 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [1,1,0,0,0,0|0,0,2]=4 1835 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [1,1,0,0,0,0|0,0,2]=4 1836 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|0,0,2]=4 1837 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|0,0,2]=4 1838 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [1,1,0,0,0,0|2,0,0]=4 1839 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [1,1,0,0,0,0|2,0,0]=4 1840 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [1,1,0,0,0,0|1,0,0]=3 1841 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [1,1,0,0,0,0|1,0,0]=3 1842 B8R0.23 C[C@@H](O)C(=O)C[N+](=O)[O-] 1458a_100000717761_100000761209 [1,1,0,0,0,0|2,0,0]=4 1843 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [1,1,0,0,0,0|1,0,0]=3 1844 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [1,1,0,0,0,0|1,0,0]=3 1845 B8R0.23 C[C@H](O)C(=O)C[N+](=O)[O-] 1458a_217856618621_100000761209 [1,1,0,0,0,0|2,0,0]=4 1846 B8R0.23 NC(=O)CC(=O)C(O)O 1458a_100000233687_100000187820 [1,1,0,0,0,0|2,0,0]=4 1847 B8R0.23 O=C([O-])CC(=O)C(O)O 1458a_100000233687_100020667443 [1,1,0,0,0,0|2,0,0]=4 1848 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [1,1,0,0,0,0|1,0,1]=4 1849 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [1,1,0,0,0,0|0,0,2]=4 1850 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [1,1,0,0,0,0|1,0,0]=3 1851 B8R0.24 CCC(=O)CS(=O)(=O)N 1458a_100000210414_100000741382 [1,1,0,0,0,0|2,0,0]=4 1852 B8R0.24 CCC(=O)CS(=O)(=O)[O-] 1458a_100000210414_100009817235 [1,1,0,0,0,0|2,0,0]=4 1853 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [1,1,0,0,0,0|2,0,0]=4 1854 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [1,1,0,0,0,0|1,1,0]=4 1855 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [1,1,0,0,0,0|1,1,0]=4 1856 B8R0.24 CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210414 [1,1,0,0,0,0|2,0,0]=4 1857 B8R0.24 CNC(=O)CS(=O)(=O)C 11a_106832991635_100000744497 [1,1,0,0,0,0|2,0,0]=4 1858 B8R0.24 CNC(=O)CS(=O)(=O)C 240690a_100102657272_100000744497 [1,1,0,0,0,0|2,0,0]=4 1859 B8R0.24 CNC(=O)CS(=O)(=O)C 527a_100102657272_100000744497 [1,1,0,0,0,0|2,0,0]=4 1860 B8R0.24 CS(=O)(=O)CC(=O)CF 1458a_100000744497_100015361967 [1,1,0,0,0,0|2,0,0]=4 1861 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1862 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [1,1,0,0,0,0|1,0,1]=4 1863 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [1,1,0,0,0,0|1,0,1]=4 1864 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [1,1,0,0,0,0|0,0,2]=4 1865 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [1,1,0,0,0,0|0,0,2]=4 1866 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [1,1,0,0,0,0|1,0,0]=3 1867 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [1,1,0,0,0,0|1,0,0]=3 1868 B8R0.34 CCS(=O)(=O)NC(=O)C 2740a_100000171174_100015343762 [1,1,0,0,0,0|2,0,0]=4 1869 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1870 B8R0.6 C#CC(=O)C/C=C\CC 1458a_100000211873_100103147603 [1,1,0,0,0,0|1,0,1]=4 1871 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [1,1,0,0,0,0|0,0,2]=4 1872 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [1,1,0,0,0,0|1,0,1]=4 1873 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|0,0,2]=4 1874 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|1,0,0]=3 1875 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [1,1,0,0,0,0|1,0,0]=3 1876 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,1,0,0,0,0|1,0,0]=3 1877 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,1,0,0,0,0|1,0,0]=3 1878 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,1,0,0,0,0|1,0,0]=3 1879 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,1,0,0,0,0|1,0,0]=3 1880 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|1,0,0]=3 1881 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,1,0,0,0,0|1,0,0]=3 1882 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,1,0,0,0,0|1,0,1]=4 1883 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [1,1,0,0,0,0|1,0,1]=4 1884 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|1,0,1]=4 1885 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,1,0,0,0,0|1,0,1]=4 1886 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|1,0,1]=4 1887 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 1888 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 1889 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|1,0,1]=4 1890 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|1,0,1]=4 1891 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,1]=4 1892 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|1,0,1]=4 1893 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 1894 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 1895 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 1896 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 1897 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|2,0,0]=4 1898 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|2,0,0]=4 1899 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|2,0,0]=4 1900 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,1,0,0,0,0|2,0,0]=4 1901 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|2,0,0]=4 1902 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 1903 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 1904 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|2,0,0]=4 1905 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|2,0,0]=4 1906 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 1907 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|2,0,0]=4 1908 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|2,0,0]=4 1909 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|2,0,0]=4 1910 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|2,0,0]=4 1911 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,1,0,0,0,0|2,0,0]=4 1912 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,1,0,0,0,0|2,0,0]=4 1913 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 1914 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 1915 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 1916 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,1,0,0,0,0|2,0,0]=4 1917 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,1,0,0,0,0|2,0,0]=4 1918 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|2,0,0]=4 1919 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|2,0,0]=4 1920 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,1,0,0,0,0|1,0,1]=4 1921 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,1,0,0,0,0|1,0,1]=4 1922 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,1,0,0,0,0|1,0,1]=4 1923 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,1,0,0,0,0|1,0,1]=4 1924 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,1,0,0,0,0|0,0,1]=3 1925 B8R0.6 CCOC=CC(=O)CF 1458a_100016266692_100015361967 [1,1,0,0,0,0|0,0,1]=3 1926 B8R0.6 CCOC=CC(=O)NC 11a_106832991635_100016266692 [1,1,0,0,0,0|0,0,1]=3 1927 B8R0.6 CCOC=CC(=O)NC 1626a_100102657272_100016266692 [1,1,0,0,0,0|0,0,1]=3 1928 B8R0.6 CCOC=CC(=O)NC 240690a_100102657272_100016266692 [1,1,0,0,0,0|0,0,1]=3 1929 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|0,0,1]=3 1930 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|0,0,1]=3 1931 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,1,0,0,0,0|0,0,1]=3 1932 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|0,0,1]=3 1933 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,1,0,0,0,0|0,0,1]=3 1934 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,1,0,0,0,0|0,0,1]=3 1935 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,1,0,0,0,0|0,0,1]=3 1936 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,1,0,0,0,0|0,0,1]=3 1937 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,1,0,0,0,0|0,0,1]=3 1938 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,1,0,0,0,0|0,0,1]=3 1939 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|0,0,1]=3 1940 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|0,1,1]=4 1941 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|0,1,1]=4 1942 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,1,0,0,0,0|0,1,1]=4 1943 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|0,1,1]=4 1944 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|0,1,1]=4 1945 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|0,1,1]=4 1946 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|0,1,1]=4 1947 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|0,1,1]=4 1948 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|0,1,1]=4 1949 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|0,1,1]=4 1950 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|0,1,1]=4 1951 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|0,1,1]=4 1952 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [1,1,0,0,0,0|1,0,1]=4 1953 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [1,1,0,0,0,0|0,0,2]=4 1954 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [1,1,0,0,0,0|0,0,2]=4 1955 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [1,1,0,0,0,0|0,0,2]=4 1956 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [1,1,0,0,0,0|0,0,2]=4 1957 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [1,1,0,0,0,0|0,0,2]=4 1958 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [1,1,0,0,0,0|1,0,1]=4 1959 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,1]=4 1960 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,1]=4 1961 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [1,1,0,0,0,0|1,0,1]=4 1962 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [1,1,0,0,0,0|1,0,1]=4 1963 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,1,0,0,0,0|1,0,1]=4 1964 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [1,1,0,0,0,0|1,0,1]=4 1965 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [1,1,0,0,0,0|1,0,1]=4 1966 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [1,1,0,0,0,0|1,0,1]=4 1967 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,1,0,0,0,0|0,0,2]=4 1968 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,1,0,0,0,0|0,0,2]=4 1969 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,1,0,0,0,0|0,0,2]=4 1970 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,1,0,0,0,0|0,0,2]=4 1971 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,1]=4 1972 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,1]=4 1973 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,1]=4 1974 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,1]=4 1975 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,1]=4 1976 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|1,0,1]=4 1977 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|1,0,1]=4 1978 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [1,1,0,0,0,0|0,0,2]=4 1979 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [1,1,0,0,0,0|0,0,2]=4 1980 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,1,0,0,0,0|0,0,2]=4 1981 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,1,0,0,0,0|0,0,2]=4 1982 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|0,0,1]=3 1983 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|0,0,1]=3 1984 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|0,0,1]=3 1985 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|0,0,1]=3 1986 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|0,0,1]=3 1987 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|0,0,1]=3 1988 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|0,1,1]=4 1989 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|0,1,1]=4 1990 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|0,1,1]=4 1991 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|0,1,1]=4 1992 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|2,0,0]=4 1993 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|2,0,0]=4 1994 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,1,0,0,0,0|1,0,1]=4 1995 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,1,0,0,0,0|1,0,1]=4 1996 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,1,0,0,0,0|1,0,1]=4 1997 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,0]=3 1998 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,0]=3 1999 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,0]=3 2000 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [1,1,0,0,0,0|2,0,0]=4 2001 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,1]=4 2002 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,1]=4 2003 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,1]=4 2004 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,1]=4 2005 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,1]=4 2006 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2007 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2008 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2009 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 2010 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 2011 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 2012 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 2013 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 2014 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,1]=4 2015 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,1]=4 2016 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|0,0,1]=3 2017 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|0,0,1]=3 2018 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|0,0,1]=3 2019 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|1,0,1]=4 2020 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|1,0,1]=4 2021 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|1,0,1]=4 2022 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|1,0,1]=4 2023 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|0,1,1]=4 2024 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|0,1,1]=4 2025 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|2,0,0]=4 2026 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|2,0,0]=4 2027 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|1,0,1]=4 2028 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|1,0,1]=4 2029 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|1,0,1]=4 2030 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|0,0,1]=3 2031 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|0,0,1]=3 2032 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|0,0,1]=3 2033 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|0,0,1]=3 2034 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,1]=4 2035 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|0,0,1]=3 2036 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|0,0,1]=3 2037 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|0,0,1]=3 2038 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|0,0,1]=3 2039 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|0,0,1]=3 2040 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|1,0,1]=4 2041 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|0,0,1]=3 2042 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|1,0,1]=4 2043 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|1,0,1]=4 2044 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|1,0,1]=4 2045 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,1,0,0,0,0|1,0,1]=4 2046 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,1,0,0,0,0|1,0,1]=4 2047 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,1,0,0,0,0|1,0,1]=4 2048 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,1,0,0,0,0|1,0,1]=4 2049 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|0,1,1]=4 2050 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|0,1,1]=4 2051 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|0,1,1]=4 2052 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|0,1,1]=4 2053 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|0,1,1]=4 2054 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|0,1,1]=4 2055 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|0,1,1]=4 2056 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|0,1,1]=4 2057 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|0,1,1]=4 2058 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|0,1,1]=4 2059 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 2060 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 2061 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,1]=4 2062 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,1]=4 2063 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|2,0,0]=4 2064 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|2,0,0]=4 2065 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|2,0,0]=4 2066 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|0,1,1]=4 2067 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|0,1,1]=4 2068 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,1]=4 2069 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,1]=4 2070 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|2,0,0]=4 2071 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|0,0,1]=3 2072 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,1,0,0,0,0|1,0,1]=4 2073 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|0,1,1]=4 2074 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|0,1,1]=4 2075 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,1,0,0,0,0|1,0,1]=4 2076 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,1,0,0,0,0|1,0,1]=4 2077 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,1,0,0,0,0|1,0,1]=4 2078 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|1,0,1]=4 2079 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|1,0,1]=4 2080 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|1,0,1]=4 2081 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,1]=4 2082 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|0,0,1]=3 2083 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [1,1,0,0,0,0|1,0,1]=4 2084 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [1,1,0,0,0,0|1,0,1]=4 2085 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|1,0,1]=4 2086 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|1,0,1]=4 2087 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,1]=4 2088 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,1]=4 2089 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,1]=4 2090 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|1,0,1]=4 2091 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|1,0,1]=4 2092 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|2,0,0]=4 2093 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|2,0,0]=4 2094 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|2,0,0]=4 2095 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|0,0,2]=4 2096 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|0,0,1]=3 2097 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|0,0,1]=3 2098 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|1,0,1]=4 2099 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,1,0,0,0,0|2,0,0]=4 2100 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,1,0,0,0,0|2,0,0]=4 2101 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,1]=4 2102 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,1]=4 2103 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|2,0,0]=4 2104 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|1,0,1]=4 2105 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|1,0,1]=4 2106 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|1,0,1]=4 2107 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|0,1,1]=4 2108 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|0,1,1]=4 2109 B8R0.21 CCOCCS(=O)(=O)C 34a_100000211924_100000210202 [1,1,0,0,0,0|1,0,1]=4 2110 B8R0.21 CCOCCS(=O)(=O)C 34a_100121572206_100000731031 [1,1,0,0,0,0|1,0,1]=4 2111 B8R0.21 CCOCCS(=O)(=O)C 7a_100000211924_100000210202 [1,1,0,0,0,0|1,0,1]=4 2112 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,1,0,0,0,0|1,0,1]=4 2113 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,1,0,0,0,0|1,0,1]=4 2114 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,1,0,0,0,0|1,0,0]=3 2115 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,1]=4 2116 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,1]=4 2117 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,1]=4 2118 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|0,0,2]=4 2119 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|0,0,1]=3 2120 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|0,0,1]=3 2121 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|0,0,1]=3 2122 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|0,1,1]=4 2123 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|0,1,1]=4 2124 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|0,1,1]=4 2125 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|2,0,0]=4 2126 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|2,0,0]=4 2127 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 2128 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 2129 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,1,0,0,0,0|1,0,1]=4 2130 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,1,0,0,0,0|1,0,0]=3 2131 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,1]=4 2132 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|2,0,0]=4 2133 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|1,0,1]=4 2134 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|1,0,1]=4 2135 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|1,0,1]=4 2136 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [1,1,0,0,0,0|0,0,2]=4 2137 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|1,0,0]=3 2138 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [1,1,0,0,0,0|2,0,0]=4 2139 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,1,0,0,0,0|2,0,0]=4 2140 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,1,0,0,0,0|2,0,0]=4 2141 B8R0.1 C=C(CNC)OCOC 34a_100102657272_100000042856 [1,1,0,0,0,0|2,0,0]=4 2142 B8R0.1 C=C(COC)OCOC 34a_100138415774_100000042856 [1,1,0,0,0,0|2,0,0]=4 2143 B8R0.1 C=C(CSC)OCOC 62a_100000042856_200000210301 [1,1,0,0,0,0|2,0,0]=4 2144 B8R0.1 C=C(CSC)OCOC 62a_200000210301_100000042856 [1,1,0,0,0,0|2,0,0]=4 2145 B8R0.1 C=C(CS[13CH3])OCOC 62a_100000042856_200025704644 [1,1,0,0,0,0|2,0,0]=4 2146 B8R0.1 C=C(CS[13CH3])OCOC 62a_200025704644_100000042856 [1,1,0,0,0,0|2,0,0]=4 2147 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [1,1,0,0,0,0|1,0,1]=4 2148 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [1,1,0,0,0,0|1,0,1]=4 2149 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|1,0,1]=4 2150 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|1,0,1]=4 2151 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [1,1,0,0,0,0|1,0,1]=4 2152 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,1,0,0,0,0|1,0,1]=4 2153 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [1,1,0,0,0,0|1,0,1]=4 2154 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [1,1,0,0,0,0|1,0,1]=4 2155 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [1,1,0,0,0,0|1,0,1]=4 2156 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [1,1,0,0,0,0|1,0,1]=4 2157 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [1,1,0,0,0,0|0,0,1]=3 2158 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [1,1,0,0,0,0|0,1,1]=4 2159 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2160 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2161 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2162 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2163 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [1,1,0,0,0,0|1,0,1]=4 2164 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [1,1,0,0,0,0|1,0,1]=4 2165 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [1,1,0,0,0,0|1,0,1]=4 2166 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [1,1,0,0,0,0|1,0,1]=4 2167 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [1,1,0,0,0,0|1,0,1]=4 2168 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [1,1,0,0,0,0|1,0,1]=4 2169 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [1,1,0,0,0,0|1,0,1]=4 2170 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|1,0,1]=4 2171 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|1,0,1]=4 2172 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2173 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2174 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,1,0,0,0,0|1,0,1]=4 2175 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2176 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2177 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,1,0,0,0,0|1,0,1]=4 2178 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [1,1,0,0,0,0|1,0,1]=4 2179 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [1,1,0,0,0,0|1,0,1]=4 2180 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [1,1,0,0,0,0|1,0,1]=4 2181 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [1,1,0,0,0,0|1,0,1]=4 2182 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [1,1,0,0,0,0|1,0,1]=4 2183 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [1,1,0,0,0,0|1,0,1]=4 2184 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [1,1,0,0,0,0|1,0,1]=4 2185 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [1,1,0,0,0,0|1,0,1]=4 2186 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [1,1,0,0,0,0|1,0,1]=4 2187 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [1,1,0,0,0,0|1,0,1]=4 2188 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [1,1,0,0,0,0|1,0,1]=4 2189 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [1,1,0,0,0,0|1,0,1]=4 2190 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [1,1,0,0,0,0|1,0,1]=4 2191 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,1,0,0,0,0|1,0,1]=4 2192 B8R0.1 CC#CC(=O)C/C=C/C 1458a_100000763181_100102629194 [1,1,0,0,0,0|1,0,1]=4 2193 B8R0.1 CC#CC(=O)CC=CC 1458a_100000763181_100000070051 [1,1,0,0,0,0|1,0,1]=4 2194 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,1,0,0,0,0|1,0,1]=4 2195 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [1,1,0,0,0,0|1,0,1]=4 2196 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|1,0,1]=4 2197 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,1,0,0,0,0|1,0,1]=4 2198 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|1,0,1]=4 2199 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|1,0,1]=4 2200 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,1]=4 2201 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 2202 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 2203 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 2204 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [1,1,0,0,0,0|1,0,1]=4 2205 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [1,1,0,0,0,0|1,0,1]=4 2206 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [1,1,0,0,0,0|1,0,1]=4 2207 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [1,1,0,0,0,0|1,0,1]=4 2208 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [1,1,0,0,0,0|1,0,1]=4 2209 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [1,1,0,0,0,0|1,0,1]=4 2210 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|1,0,0]=3 2211 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|1,0,0]=3 2212 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [1,1,0,0,0,0|2,0,0]=4 2213 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [1,1,0,0,0,0|2,0,0]=4 2214 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [1,1,0,0,0,0|2,0,0]=4 2215 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,1,0,0,0,0|2,0,0]=4 2216 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,1,0,0,0,0|2,0,0]=4 2217 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,1,0,0,0,0|1,0,0]=3 2218 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,1,0,0,0,0|1,0,0]=3 2219 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,1,0,0,0,0|1,0,0]=3 2220 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [1,1,0,0,0,0|2,0,0]=4 2221 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [1,1,0,0,0,0|2,0,0]=4 2222 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,1,0,0,0,0|1,0,1]=4 2223 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|1,0,1]=4 2224 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,1,0,0,0,0|1,0,1]=4 2225 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,1,0,0,0,0|1,0,1]=4 2226 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,1,0,0,0,0|1,0,1]=4 2227 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,1]=4 2228 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,1]=4 2229 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,1]=4 2230 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,1]=4 2231 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,1]=4 2232 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,1]=4 2233 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,1]=4 2234 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|0,0,1]=3 2235 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|0,1,1]=4 2236 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|0,1,1]=4 2237 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|0,1,1]=4 2238 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,1,0,0,0,0|2,0,0]=4 2239 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,1,0,0,0,0|2,0,0]=4 2240 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,1,0,0,0,0|1,0,1]=4 2241 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,1,0,0,0,0|1,0,1]=4 2242 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,1,0,0,0,0|1,0,1]=4 2243 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,1,0,0,0,0|1,0,1]=4 2244 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,1,0,0,0,0|1,0,1]=4 2245 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,1,0,0,0,0|1,0,1]=4 2246 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,1,0,0,0,0|1,0,1]=4 2247 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,1,0,0,0,0|0,0,1]=3 2248 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,1,0,0,0,0|0,0,1]=3 2249 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,1,0,0,0,0|0,0,1]=3 2250 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,1,0,0,0,0|0,0,1]=3 2251 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,1,0,0,0,0|0,0,1]=3 2252 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|1,0,1]=4 2253 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|1,0,1]=4 2254 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|2,0,0]=4 2255 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|2,0,0]=4 2256 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 2257 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 2258 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|1,0,1]=4 2259 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 2260 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 2261 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 2262 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 2263 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,1,0,0,0,0|2,0,0]=4 2264 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,1,0,0,0,0|2,0,0]=4 2265 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,1,0,0,0,0|2,0,0]=4 2266 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,1,0,0,0,0|2,0,0]=4 2267 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,1,0,0,0,0|2,0,0]=4 2268 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 2269 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 2270 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 2271 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|2,0,0]=4 2272 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|2,0,0]=4 2273 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 2274 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 2275 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 2276 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,1,0,0,0,0|2,0,0]=4 2277 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,1,0,0,0,0|2,0,0]=4 2278 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,1,0,0,0,0|2,0,0]=4 2279 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,1,0,0,0,0|2,0,0]=4 2280 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,1,0,0,0,0|2,0,0]=4 2281 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,1,0,0,0,0|1,0,1]=4 2282 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,1,0,0,0,0|1,0,1]=4 2283 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,1,0,0,0,0|1,0,1]=4 2284 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,1,0,0,0,0|1,0,1]=4 2285 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,1,0,0,0,0|1,0,1]=4 2286 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,1,0,0,0,0|1,0,1]=4 2287 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 2288 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,1,0,0,0,0|1,0,0]=3 2289 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,1,0,0,0,0|1,0,0]=3 2290 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,0]=3 2291 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,1,0,0,0,0|1,0,0]=3 2292 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,1,0,0,0,0|1,0,0]=3 2293 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,1,0,0,0,0|1,0,0]=3 2294 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,1,0,0,0,0|1,0,0]=3 2295 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [1,1,0,0,0,0|1,0,1]=4 2296 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,1,0,0,0,0|1,0,1]=4 2297 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,1,0,0,0,0|1,0,1]=4 2298 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,1,0,0,0,0|1,0,1]=4 2299 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,1,0,0,0,0|1,0,1]=4 2300 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 2301 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 2302 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 2303 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 2304 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 2305 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 2306 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,1,0,0,0,0|1,0,1]=4 2307 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,1,0,0,0,0|1,0,1]=4 2308 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,1,0,0,0,0|1,0,1]=4 2309 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,1,0,0,0,0|1,0,1]=4 2310 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 2311 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 2312 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,1,0,0,0,0|1,0,1]=4 2313 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 2314 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 2315 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 2316 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 2317 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,1,0,0,0,0|1,0,1]=4 2318 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,1,0,0,0,0|1,0,1]=4 2319 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,1,0,0,0,0|2,0,0]=4 2320 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,1,0,0,0,0|2,0,0]=4 2321 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,1,0,0,0,0|1,0,1]=4 2322 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,1,0,0,0,0|1,0,1]=4 2323 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,1,0,0,0,0|0,0,1]=3 2324 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [1,1,0,0,0,0|2,0,0]=4 2325 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [1,1,0,0,0,0|2,0,0]=4 2326 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,1,0,0,0,0|0,0,1]=3 2327 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,1,0,0,0,0|0,0,1]=3 2328 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,1,0,0,0,0|0,0,1]=3 2329 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|0,0,1]=3 2330 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|0,0,1]=3 2331 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|0,0,1]=3 2332 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|0,0,1]=3 2333 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|0,0,1]=3 2334 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,1,0,0,0,0|0,0,1]=3 2335 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,1,0,0,0,0|0,0,1]=3 2336 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,1,0,0,0,0|1,0,0]=3 2337 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,1,0,0,0,0|1,0,0]=3 2338 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,1,0,0,0,0|1,0,0]=3 2339 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,1,0,0,0,0|1,0,0]=3 2340 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [1,1,0,0,0,0|1,0,1]=4 2341 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,1,0,0,0,0|1,0,1]=4 2342 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|0,0,2]=4 2343 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,1,0,0,0,0|2,0,0]=4 2344 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,1,0,0,0,0|0,0,1]=3 2345 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2346 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|2,0,0]=4 2347 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|2,0,0]=4 2348 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|2,0,0]=4 2349 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 2350 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 2351 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 2352 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [1,1,0,0,0,0|2,0,0]=4 2353 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 2354 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,1,0,0,0,0|2,0,0]=4 2355 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|2,0,0]=4 2356 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|2,0,0]=4 2357 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,1,0,0,0,0|2,0,0]=4 2358 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|2,0,0]=4 2359 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 2360 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 2361 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 2362 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [1,1,0,0,0,0|2,0,0]=4 2363 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 2364 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [1,1,0,0,0,0|2,0,0]=4 2365 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,1,0,0,0,0|2,0,0]=4 2366 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [1,1,0,0,0,0|2,0,0]=4 2367 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [1,1,0,0,0,0|1,0,1]=4 2370 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [1,1,0,0,0,0|1,0,1]=4 2371 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [1,1,0,0,0,0|1,0,1]=4 2372 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [1,1,0,0,0,0|1,0,1]=4 2373 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [1,1,0,0,0,0|1,0,1]=4 2374 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [1,1,0,0,0,0|1,0,1]=4 2375 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [1,1,0,0,0,0|1,0,1]=4 2376 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [1,1,0,0,0,0|1,0,1]=4 2377 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [1,1,0,0,0,0|1,0,1]=4 2378 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [1,1,0,0,0,0|1,0,1]=4 2379 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [1,1,0,0,0,0|1,0,1]=4 2380 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,1,0,0,0,0|1,0,1]=4 2381 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [1,1,0,0,0,0|1,0,1]=4 2382 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [1,1,0,0,0,0|1,0,1]=4 2383 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [1,1,0,0,0,0|1,0,1]=4 2384 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,1,0,0,0,0|2,0,0]=4 2385 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [1,1,0,0,0,0|2,0,0]=4 2386 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,1,0,0,0,0|1,0,1]=4 2387 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,1,0,0,0,0|1,0,1]=4 2388 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,1,0,0,0,0|2,0,0]=4 2389 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [1,1,0,0,0,0|2,0,0]=4 2390 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,1,0,0,0,0|1,0,1]=4 2391 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,1,0,0,0,0|1,0,1]=4 2392 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,1,0,0,0,0|1,0,1]=4 2393 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,1,0,0,0,0|1,0,1]=4 2394 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,1,0,0,0,0|1,0,1]=4 2395 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [1,1,0,0,0,0|2,0,0]=4 2396 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [1,1,0,0,0,0|2,0,0]=4 2397 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [1,1,0,0,0,0|2,0,0]=4 2398 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 2399 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 2400 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 2401 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [1,1,0,0,0,0|2,0,0]=4 2402 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [1,1,0,0,0,0|2,0,0]=4 2403 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 2404 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 2405 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 2406 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [1,1,0,0,0,0|2,0,0]=4 2407 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2408 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [1,1,0,0,0,0|2,0,0]=4 2409 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2410 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [1,1,0,0,0,0|2,0,0]=4 2411 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,1,0,0,0,0|1,0,1]=4 2412 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,1,0,0,0,0|1,0,1]=4 2413 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,1,0,0,0,0|1,0,1]=4 2414 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [1,1,0,0,0,0|2,0,0]=4 2415 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [1,1,0,0,0,0|2,0,0]=4 2416 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [1,1,0,0,0,0|2,0,0]=4 2417 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [1,1,0,0,0,0|2,0,0]=4 2418 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [1,1,0,0,0,0|2,0,0]=4 2419 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [1,1,0,0,0,0|2,0,0]=4 2420 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [1,1,0,0,0,0|2,0,0]=4 2421 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 2422 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 2423 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [1,1,0,0,0,0|2,0,0]=4 2424 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [1,1,0,0,0,0|2,0,0]=4 2425 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 2426 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 2427 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [1,1,0,0,0,0|2,0,0]=4 2428 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [1,1,0,0,0,0|2,0,0]=4 2429 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [1,1,0,0,0,0|2,0,0]=4 2430 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [1,1,0,0,0,0|2,0,0]=4 2431 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [1,1,0,0,0,0|2,0,0]=4 2432 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,1,0,0,0,0|1,0,1]=4 2433 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,1,0,0,0,0|1,0,1]=4 2434 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,1,0,0,0,0|1,0,1]=4 2435 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,1,0,0,0,0|1,0,1]=4 2436 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [1,1,0,0,0,0|1,0,0]=3 2437 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [1,1,0,0,0,0|1,0,0]=3 2438 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [1,1,0,0,0,0|1,0,0]=3 2439 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,1,0,0,0,0|1,0,0]=3 2440 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [1,1,0,0,0,0|1,0,0]=3 2441 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [1,1,0,0,0,0|1,0,0]=3 2442 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [1,1,0,0,0,0|1,0,0]=3 2443 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [1,1,0,0,0,0|1,0,0]=3 2444 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [1,1,0,0,0,0|1,0,0]=3 2445 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [1,1,0,0,0,0|1,0,0]=3 2446 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [1,1,0,0,0,0|1,0,0]=3 2447 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [1,1,0,0,0,0|1,0,0]=3 2448 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [1,1,0,0,0,0|1,0,0]=3 2449 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [1,1,0,0,0,0|1,0,0]=3 2450 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [1,1,0,0,0,0|1,0,0]=3 2451 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [1,1,0,0,0,0|1,0,0]=3 2452 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,1,0,0,0,0|1,0,0]=3 2453 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,1,0,0,0,0|1,0,0]=3 2454 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [1,1,0,0,0,0|1,1,0]=4 2455 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [1,1,0,0,0,0|1,1,0]=4 2456 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,0,0,1,0|1,0,1]=4 2457 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,0,0,1,0|1,0,1]=4 2458 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,0,0,1,0|1,0,1]=4 2459 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,0,0,1,0|1,0,1]=4 2460 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,1,0,0,0,1|2,0,0]=4 2461 B10R0.26 C=C(C)C(=O)CC(=O)NCC 1458a_100000185857_100000183381 [0,1,0,0,0,1|2,0,0]=4 2462 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,1,0,0,0,1|1,0,0]=3 2463 B10R0.26 CC#CC(=O)CC(=O)C(=O)C 1458a_100000763181_100011261029 [0,1,0,0,0,1|1,0,1]=4 2464 B10R0.26 CC(=O)C(=O)CC(=O)CCO 1458a_100011216618_100011261029 [0,1,0,0,0,1|2,0,0]=4 2465 B10R0.26 CC(=O)N(C)CC(=O)CCF 1458a_100000194957_100011217306 [0,1,0,0,0,1|2,0,0]=4 2466 B10R0.26 CC(=O)N(C)CC(=O)CCO 1458a_100000194957_100000211926 [0,1,0,0,0,1|2,0,0]=4 2467 B10R0.26 CC=CC(=O)CC(=O)C(=O)C 1458a_100000210699_100011261029 [0,1,0,0,0,1|1,0,1]=4 2468 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,1,0,0,0,1|1,0,0]=3 2469 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,1,0,0,0,1|1,0,0]=3 2470 B10R0.26 CCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210303 [0,1,0,0,0,1|2,0,0]=4 2471 B10R0.26 CCCC(=O)NC(C)C(=O)C 1458a_100000205598_200000210301 [0,1,0,0,0,1|1,0,0]=3 2472 B10R0.26 CCCC(=O)NC(C)C(=O)[13CH3] 1458a_100000205598_200025704644 [0,1,0,0,0,1|1,0,0]=3 2473 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000211992 [0,1,0,0,0,1|2,0,0]=4 2474 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000211992 [0,1,0,0,0,1|2,0,0]=4 2475 B10R0.26 CCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000211992 [0,1,0,0,0,1|2,0,0]=4 2476 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100000741943_100015343762 [0,1,0,0,0,1|1,0,0]=3 2477 B10R0.26 CCNC(=O)CN(C)C(=O)C 11a_100015525214_100000194957 [0,1,0,0,0,1|1,0,0]=3 2478 B10R0.26 CCNC(=O)CN(C)C(=O)C 1626a_100000741943_100015343762 [0,1,0,0,0,1|1,0,0]=3 2479 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100000741943_100015343762 [0,1,0,0,0,1|1,0,0]=3 2480 B10R0.26 CCNC(=O)CN(C)C(=O)C 240690a_100015525214_100000194957 [0,1,0,0,0,1|1,0,0]=3 2481 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100000741943_100103153847 [0,1,0,0,0,1|1,0,0]=3 2482 B10R0.26 CCNC(=O)CN(C)C(=O)C 527a_100015525214_100000194957 [0,1,0,0,0,1|1,0,0]=3 2483 B10R0.26 CCNC(=O)CN(C)C(=O)N 240690a_100015525214_100000218718 [0,1,0,0,0,1|2,0,0]=4 2484 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100015525214 [0,1,0,0,0,1|2,0,0]=4 2485 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 273464a_100015525214_100000119354 [0,1,0,0,0,1|2,0,0]=4 2486 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100015525214 [0,1,0,0,0,1|2,0,0]=4 2487 B10R0.26 CCNC(=O)N[C@H](C)C(=O)N 512a_100015525214_100000119354 [0,1,0,0,0,1|2,0,0]=4 2488 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,1,0,0,0,1|1,0,1]=4 2489 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,1,0,0,0,1|1,0,1]=4 2490 B10R0.26 CCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000188475 [0,1,0,0,0,1|1,0,1]=4 2491 B10R0.26 CCOC(=O)CC(=O)N(C)C 240690a_100102631434_100000243816 [0,1,0,0,0,1|2,0,0]=4 2492 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,1|0,0,2]=4 2493 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,1|0,0,2]=4 2494 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,1|0,0,0]=2 2495 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,1,0,0,0,1|2,0,0]=4 2496 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,1,0,0,0,1|2,0,0]=4 2497 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,1|0,0,0]=2 2498 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,1|0,0,0]=2 2499 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,1|0,0,0]=2 2500 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,1|0,0,0]=2 2501 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,1,0,0,0,1|1,0,1]=4 2502 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,1,0,0,0,1|1,0,1]=4 2503 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,1,0,0,0,1|1,0,1]=4 2504 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,1,0,0,0,1|1,0,1]=4 2505 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,1,0,0,0,1|1,0,1]=4 2506 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,1,0,0,0,1|1,0,1]=4 2507 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,1,0,0,0,1|2,0,0]=4 2508 B10R0.26 CNNC(=O)CN(C)C(=O)C 22a_100016993582_100000194957 [0,1,0,0,0,1|2,0,0]=4 2509 B10R0.26 COCC(=O)CC(=O)C(=O)C 1458a_100000210968_100011261029 [0,1,0,0,0,1|2,0,0]=4 2510 B10R0.26 CSCC(=O)CC(=O)C(=O)C 1458a_100000184570_100011261029 [0,1,0,0,0,1|2,0,0]=4 2511 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [0,1,0,0,0,1|1,0,1]=4 2512 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [0,1,0,0,0,1|1,0,1]=4 2513 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [0,1,0,0,0,1|1,0,1]=4 2514 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [0,1,0,0,0,1|1,0,1]=4 2515 B10R0.27 CCOC(CCl)COC(=O)C 7a_200000139349_100000210202 [0,1,0,0,0,1|1,0,1]=4 2516 B10R0.32 C=C(C)CC(=O)C(=O)NCC 1458a_200011297158_100000748629 [0,1,0,0,0,1|2,0,0]=4 2517 B10R0.32 C=C(C)CN(C)C(=O)CCC 11a_100000225649_100000211992 [0,1,0,0,0,1|2,0,0]=4 2518 B10R0.32 C=C(C)CN(C)C(=O)CCC 1626a_100000225649_100000211992 [0,1,0,0,0,1|2,0,0]=4 2519 B10R0.32 C=C(C)CN(C)C(=O)CCC 527a_100000225649_100000211992 [0,1,0,0,0,1|2,0,0]=4 2520 B10R0.32 C=C(C)CN(C)C(=O)NCC 2708a_100015525214_100000225649 [0,1,0,0,0,1|2,0,0]=4 2521 B10R0.32 C=C(C)CN(C)C(=O)NCC 273464a_100015525214_100000225649 [0,1,0,0,0,1|2,0,0]=4 2522 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,1,0,0,0,1|2,0,0]=4 2523 B10R0.32 C=C(NC(=O)C)C(=O)NCC 240690a_100015525214_100000758921 [0,1,0,0,0,1|1,0,1]=4 2524 B10R0.32 CC#CC(=O)C(C)OC(=O)C 1458a_100000763181_100009818208 [0,1,0,0,0,1|1,0,1]=4 2525 B10R0.32 CC(=O)N[C@H](C)C(=O)CCF 1458a_100011504603_100011217306 [0,1,0,0,0,1|2,0,0]=4 2526 B10R0.32 CC(=O)N[C@H](C)C(=O)CCO 1458a_100011504603_100000211926 [0,1,0,0,0,1|2,0,0]=4 2527 B10R0.32 CC(=O)OC(C)C(=O)CCO 1458a_100011216618_100009818208 [0,1,0,0,0,1|2,0,0]=4 2528 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCF 1458a_100009816467_100011217306 [0,1,0,0,0,1|2,0,0]=4 2529 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCO 1458a_100009816467_100000211926 [0,1,0,0,0,1|2,0,0]=4 2530 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,1,0,0,0,1|1,0,1]=4 2531 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,0,0,0,1|1,0,0]=3 2532 B10R0.32 CCCC(=O)N(C)CC(=O)N 11a_100000739694_100000211992 [0,1,0,0,0,1|2,0,0]=4 2533 B10R0.32 CCCC(=O)N(C)CC(=O)N 527a_100000739694_100000211992 [0,1,0,0,0,1|2,0,0]=4 2534 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,1,0,0,0,1|1,0,0]=3 2535 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,0,0,0,1|1,0,0]=3 2536 B10R0.32 CCNC(=O)C(=O)CC(=O)N 1458a_200011297158_100000187820 [0,1,0,0,0,1|2,0,0]=4 2537 B10R0.32 CCNC(=O)C(=O)CC(=O)[O-] 1458a_200011297158_100020667443 [0,1,0,0,0,1|2,0,0]=4 2538 B10R0.32 CCNC(=O)C(C)NC(=O)C 11a_100000736553_100015343762 [0,1,0,0,0,1|1,0,0]=3 2539 B10R0.32 CCNC(=O)C(C)NC(=O)C 1626a_100000736553_100015343762 [0,1,0,0,0,1|1,0,0]=3 2540 B10R0.32 CCNC(=O)C(C)NC(=O)C 240690a_100000736553_100015343762 [0,1,0,0,0,1|1,0,0]=3 2541 B10R0.32 CCNC(=O)C(C)NC(=O)C 527a_100000736553_100103153847 [0,1,0,0,0,1|1,0,0]=3 2542 B10R0.32 CCNC(=O)N(C)CC(=O)N 2708a_100015525214_100000739694 [0,1,0,0,0,1|2,0,0]=4 2543 B10R0.32 CCNC(=O)N(C)CC(=O)N 273464a_100015525214_100000739694 [0,1,0,0,0,1|2,0,0]=4 2544 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 11a_100015525214_100011504603 [0,1,0,0,0,1|1,0,0]=3 2545 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 240690a_100015525214_100011504603 [0,1,0,0,0,1|1,0,0]=3 2546 B10R0.32 CCNC(=O)[C@@H](C)NC(=O)C 527a_100015525214_100011504603 [0,1,0,0,0,1|1,0,0]=3 2547 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,1,0,0,0,1|1,0,0]=3 2548 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,1,0,0,0,1|1,0,0]=3 2549 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,1,0,0,0,1|1,0,0]=3 2550 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,1,0,0,0,1|2,0,0]=4 2551 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,1,0,0,0,1|1,0,1]=4 2552 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,1,0,0,0,1|1,0,1]=4 2553 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,0,1|1,0,1]=4 2554 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,1,0,0,0,1|1,0,1]=4 2555 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,1,0,0,0,1|1,0,1]=4 2556 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,1,0,0,0,1|1,0,1]=4 2557 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,1,0,0,0,1|1,0,1]=4 2558 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,0,1|1,0,1]=4 2559 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,1,0,0,0,1|1,0,1]=4 2560 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,1,0,0,0,1|1,0,1]=4 2561 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,1,0,0,0,1|0,0,0]=2 2562 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,0,1|1,0,1]=4 2563 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 11a_100103168634_100015343762 [0,1,0,0,0,1|0,1,0]=3 2564 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 1626a_100103168634_100015343762 [0,1,0,0,0,1|0,1,0]=3 2565 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 240690a_100103168634_100015343762 [0,1,0,0,0,1|0,1,0]=3 2566 B10R0.32 CCSC(=O)[C@H](C)NC(=O)C 527a_100103168634_100103153847 [0,1,0,0,0,1|0,1,0]=3 2567 B10R0.32 CNNC(=O)[C@@H](C)NC(=O)C 22a_100016993582_100011504603 [0,1,0,0,0,1|2,0,0]=4 2568 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,1,0,0,0,1|2,0,0]=4 2569 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,1,0,0,0,1|2,0,0]=4 2570 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_100011192722_100000730704 [0,1,0,0,0,1|2,0,0]=4 2571 B10R0.57 C=C(C)CCC(=O)C(C)CC 1458a_200000688413_100000758301 [0,1,0,0,0,1|2,0,0]=4 2572 B10R0.57 C=C(C)CCC(=O)C(O)CC 1458a_100011196387_100000730704 [0,1,0,0,0,1|2,0,0]=4 2573 B10R0.57 C=C(C)CCC(=O)N(C)CC 11a_100000225621_200000688413 [0,1,0,0,0,1|2,0,0]=4 2574 B10R0.57 C=C(C)CCC(=O)N(C)CC 1626a_100000225621_200000688413 [0,1,0,0,0,1|2,0,0]=4 2575 B10R0.57 C=C(C)CCC(=O)N(C)CC 240690a_100000225621_200000688413 [0,1,0,0,0,1|2,0,0]=4 2576 B10R0.57 C=C(C)CCC(=O)N(C)CC 527a_100000225621_200000688413 [0,1,0,0,0,1|2,0,0]=4 2577 B10R0.57 C=C(C)CNC(=O)C(C)CC 11a_100000765925_100011192722 [0,1,0,0,0,1|2,0,0]=4 2578 B10R0.57 C=C(C)CNC(=O)C(C)CC 1626a_100000765925_100011192722 [0,1,0,0,0,1|2,0,0]=4 2579 B10R0.57 C=C(C)CNC(=O)C(C)CC 240690a_100000765925_100011192722 [0,1,0,0,0,1|2,0,0]=4 2580 B10R0.57 C=C(C)CNC(=O)C(C)CC 527a_100000765925_100011192722 [0,1,0,0,0,1|2,0,0]=4 2581 B10R0.57 C=C(C)CNC(=O)C(O)CC 240690a_100000765925_100011196387 [0,1,0,0,0,1|2,0,0]=4 2582 B10R0.57 C=C(C)CNC(=O)N(C)CC 2708a_100000765925_100000225621 [0,1,0,0,0,1|2,0,0]=4 2583 B10R0.57 C=C(C)CNC(=O)N(C)CC 273464a_100000765925_100000225621 [0,1,0,0,0,1|2,0,0]=4 2584 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,1,0,0,0,1|2,0,0]=4 2585 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,1,0,0,0,1|2,0,0]=4 2586 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,1,0,0,0,1|2,0,0]=4 2587 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,1,0,0,0,1|1,0,0]=3 2588 B10R0.57 CCC(C)C(=O)CNC(=O)N 1458a_100000184981_100000758301 [0,1,0,0,0,1|2,0,0]=4 2589 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,1,0,0,0,1|1,0,0]=3 2590 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,1,0,0,0,1|1,0,0]=3 2591 B10R0.57 CCC(C)C(=O)NCC(=O)C 1458a_100000743532_200000210301 [0,1,0,0,0,1|1,0,0]=3 2592 B10R0.57 CCC(C)C(=O)NCC(=O)N 11a_100000711301_100011192722 [0,1,0,0,0,1|2,0,0]=4 2593 B10R0.57 CCC(C)C(=O)NCC(=O)N 240690a_100000711301_100011192722 [0,1,0,0,0,1|2,0,0]=4 2594 B10R0.57 CCC(C)C(=O)NCC(=O)N 527a_100000711301_100011192722 [0,1,0,0,0,1|2,0,0]=4 2595 B10R0.57 CCC(C)C(=O)NCC(=O)[13CH3] 1458a_100000743532_200025704644 [0,1,0,0,0,1|1,0,0]=3 2596 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000189765_100011192722 [0,1,0,0,0,1|2,0,0]=4 2597 B10R0.57 CCC(C)C(=O)NNC(=O)C 22a_100000740736_100000070787 [0,1,0,0,0,1|2,0,0]=4 2598 B10R0.57 CCC(O)C(=O)CC=C(C)C 1458a_100011196387_100000761012 [0,1,0,0,0,1|2,0,0]=4 2599 B10R0.57 CCC(O)C(=O)NCC(=O)N 240690a_100000711301_100011196387 [0,1,0,0,0,1|2,0,0]=4 2600 B10R0.57 CCC(O)C(=O)NNC(=O)C 22a_100000189765_100011196387 [0,1,0,0,0,1|2,0,0]=4 2601 B10R0.57 CCN(C)C(=O)CC=C(C)C 11a_100000225621_100011220947 [0,1,0,0,0,1|2,0,0]=4 2602 B10R0.57 CCN(C)C(=O)CC=C(C)C 1626a_100000225621_100011220947 [0,1,0,0,0,1|2,0,0]=4 2603 B10R0.57 CCN(C)C(=O)CC=C(C)C 240690a_100000225621_100011220947 [0,1,0,0,0,1|2,0,0]=4 2604 B10R0.57 CCN(C)C(=O)CC=C(C)C 527a_100000225621_100011220947 [0,1,0,0,0,1|2,0,0]=4 2605 B10R0.57 CCN(C)C(=O)CCC(=O)N 240690a_100000225621_100011215257 [0,1,0,0,0,1|2,0,0]=4 2606 B10R0.57 CCN(C)C(=O)CCC(=O)N 527a_100000225621_100011215257 [0,1,0,0,0,1|2,0,0]=4 2607 B10R0.57 CCN(C)C(=O)CNC(=O)C 11a_100000225621_100000194580 [0,1,0,0,0,1|1,0,0]=3 2608 B10R0.57 CCN(C)C(=O)CNC(=O)C 1626a_100000225621_100000194580 [0,1,0,0,0,1|1,0,0]=3 2609 B10R0.57 CCN(C)C(=O)CNC(=O)C 240690a_100000225621_100000194580 [0,1,0,0,0,1|1,0,0]=3 2610 B10R0.57 CCN(C)C(=O)CNC(=O)C 527a_100000225621_100000194580 [0,1,0,0,0,1|1,0,0]=3 2611 B10R0.57 CCN(C)C(=O)CNC(=O)N 240690a_100000225621_100000184981 [0,1,0,0,0,1|2,0,0]=4 2612 B10R0.57 CCN(C)C(=O)CNC(=O)N 527a_100000225621_100000184981 [0,1,0,0,0,1|2,0,0]=4 2613 B10R0.57 CCN(C)C(=O)COC(=O)C 1626a_100000225621_100000183556 [0,1,0,0,0,1|1,0,0]=3 2614 B10R0.57 CCN(C)C(=O)COC(=O)C 240690a_100000225621_100000183556 [0,1,0,0,0,1|1,0,0]=3 2615 B10R0.57 CCN(C)C(=O)COC(=O)C 527a_100000225621_100000183556 [0,1,0,0,0,1|1,0,0]=3 2616 B10R0.57 CCN(C)C(=O)CSC(=O)C 11a_100000225621_100000049016 [0,1,0,0,0,1|1,0,0]=3 2617 B10R0.57 CCN(C)C(=O)CSC(=O)C 1626a_100000225621_100000049016 [0,1,0,0,0,1|1,0,0]=3 2618 B10R0.57 CCN(C)C(=O)CSC(=O)C 240690a_100000225621_100000049016 [0,1,0,0,0,1|1,0,0]=3 2619 B10R0.57 CCN(C)C(=O)CSC(=O)N 240690a_100000225621_200015941356 [0,1,0,0,0,1|2,0,0]=4 2620 B10R0.57 CCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000225621 [0,1,0,0,0,1|2,0,0]=4 2621 B10R0.57 CON(C)C(=O)CNC(=O)C 11a_100015207273_100015343762 [0,1,0,0,0,1|2,0,0]=4 2622 B10R0.57 CON(C)C(=O)CNC(=O)C 527a_100015207273_100103153847 [0,1,0,0,0,1|2,0,0]=4 2623 B10R0.78 C#CCCC(=O)CNC(=O)C 1458a_100000194580_100000753159 [0,1,0,0,0,1|1,0,1]=4 2624 B10R0.78 C#CCCC(=O)COC(=O)C 1458a_100000183556_100000753159 [0,1,0,0,0,1|1,0,1]=4 2625 B10R0.78 C#CCCC(=O)CSC(=O)C 1458a_100000049016_100000753159 [0,1,0,0,0,1|1,0,1]=4 2626 B10R0.78 C#CCNC(=O)CNC(=O)C 11a_100000212058_100000194580 [0,1,0,0,0,1|1,0,1]=4 2627 B10R0.78 C#CCNC(=O)CNC(=O)C 11a_100000747989_100015343762 [0,1,0,0,0,1|1,0,1]=4 2628 B10R0.78 C#CCNC(=O)CNC(=O)C 1626a_100000212058_100000194580 [0,1,0,0,0,1|1,0,1]=4 2629 B10R0.78 C#CCNC(=O)CNC(=O)C 1626a_100000747989_100015343762 [0,1,0,0,0,1|1,0,1]=4 2630 B10R0.78 C#CCNC(=O)CNC(=O)C 240690a_100000212058_100000194580 [0,1,0,0,0,1|1,0,1]=4 2631 B10R0.78 C#CCNC(=O)CNC(=O)C 240690a_100000747989_100015343762 [0,1,0,0,0,1|1,0,1]=4 2632 B10R0.78 C#CCNC(=O)CNC(=O)C 527a_100000212058_100000194580 [0,1,0,0,0,1|1,0,1]=4 2633 B10R0.78 C#CCNC(=O)CNC(=O)C 527a_100000747989_100103153847 [0,1,0,0,0,1|1,0,1]=4 2634 B10R0.78 C#CCNC(=O)COC(=O)C 1626a_100000212058_100000183556 [0,1,0,0,0,1|1,0,1]=4 2635 B10R0.78 C#CCNC(=O)COC(=O)C 240690a_100000212058_100000183556 [0,1,0,0,0,1|1,0,1]=4 2636 B10R0.78 C#CCNC(=O)COC(=O)C 527a_100000212058_100000183556 [0,1,0,0,0,1|1,0,1]=4 2637 B10R0.78 C#CCNC(=O)CSC(=O)C 11a_100000212058_100000049016 [0,1,0,0,0,1|1,0,1]=4 2638 B10R0.78 C#CCNC(=O)CSC(=O)C 1626a_100000212058_100000049016 [0,1,0,0,0,1|1,0,1]=4 2639 B10R0.78 C#CCNC(=O)CSC(=O)C 240690a_100000212058_100000049016 [0,1,0,0,0,1|1,0,1]=4 2640 B10R0.78 C/C=C/CC(=O)CNC(=O)C 1458a_100000194580_100102629194 [0,1,0,0,0,1|1,0,1]=4 2641 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,1,0,0,0,1|1,0,1]=4 2642 B10R0.78 C/C=C/CC(=O)CSC(=O)C 1458a_100000049016_100102629194 [0,1,0,0,0,1|1,0,1]=4 2643 B10R0.78 C=C(C)CCC(=O)C#CCC 1458a_100011827653_100000730704 [0,1,0,0,0,1|2,0,0]=4 2644 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,1,0,0,0,1|2,0,0]=4 2645 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,1,0,0,0,1|2,0,0]=4 2646 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,1,0,0,0,1|2,0,0]=4 2647 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,1,0,0,0,1|2,0,0]=4 2648 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,1,0,0,0,1|2,0,0]=4 2649 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,1,0,0,0,1|2,0,0]=4 2650 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,1,0,0,0,1|2,0,0]=4 2651 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,1,0,0,0,1|2,0,0]=4 2652 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,1,0,0,0,1|2,0,0]=4 2653 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,1,0,0,0,1|1,0,0]=3 2654 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,1,0,0,0,1|1,1,0]=4 2655 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,1,0,0,0,1|2,0,0]=4 2656 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,1,0,0,0,1|2,0,0]=4 2657 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,1,0,0,0,1|2,0,0]=4 2658 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,1,0,0,0,1|2,0,0]=4 2659 B10R0.78 C=C(C)CCC(=O)NCCF 11a_100000724931_200000688413 [0,1,0,0,0,1|2,0,0]=4 2660 B10R0.78 C=C(C)CCC(=O)NCCF 1626a_100000724931_200000688413 [0,1,0,0,0,1|2,0,0]=4 2661 B10R0.78 C=C(C)CCC(=O)NCCF 240690a_100000724931_200000688413 [0,1,0,0,0,1|2,0,0]=4 2662 B10R0.78 C=C(C)CCC(=O)NCCF 527a_100000724931_200000688413 [0,1,0,0,0,1|2,0,0]=4 2663 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [0,1,0,0,0,1|2,0,0]=4 2664 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [0,1,0,0,0,1|2,0,0]=4 2665 B10R0.78 C=C(C)CCC(=O)NNCC 22a_100000756455_200000688413 [0,1,0,0,0,1|2,0,0]=4 2666 B10R0.78 C=C(C)CNC(=O)C=CCC 11a_100000765925_100000212282 [0,1,0,0,0,1|2,0,0]=4 2667 B10R0.78 C=C(C)CNC(=O)C=CCC 1626a_100000765925_100000212282 [0,1,0,0,0,1|2,0,0]=4 2668 B10R0.78 C=C(C)CNC(=O)C=CCC 240690a_100000765925_100000212282 [0,1,0,0,0,1|2,0,0]=4 2669 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,1,0,0,0,1|2,0,0]=4 2670 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,1,0,0,0,1|2,0,0]=4 2671 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,1,0,0,0,1|2,0,0]=4 2672 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,1,0,0,0,1|2,0,0]=4 2673 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [0,1,0,0,0,1|2,0,0]=4 2674 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [0,1,0,0,0,1|2,0,0]=4 2675 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [0,1,0,0,0,1|2,0,0]=4 2676 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [0,1,0,0,0,1|2,0,0]=4 2677 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [0,1,0,0,0,1|2,0,0]=4 2678 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [0,1,0,0,0,1|2,0,0]=4 2679 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [0,1,0,0,0,1|2,0,0]=4 2680 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [0,1,0,0,0,1|2,0,0]=4 2681 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,1,0,0,0,1|1,0,0]=3 2682 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,1,0,0,0,1|1,0,0]=3 2683 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,1,0,0,0,1|1,0,0]=3 2684 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,1,0,0,0,1|1,0,0]=3 2685 B10R0.78 C=C(C)CNC(=O)CSCC 11a_100000765925_100000230394 [0,1,0,0,0,1|1,1,0]=4 2686 B10R0.78 C=C(C)CNC(=O)CSCC 1626a_100000765925_100000230394 [0,1,0,0,0,1|1,1,0]=4 2687 B10R0.78 C=C(C)CNC(=O)CSCC 240690a_100000765925_100000230394 [0,1,0,0,0,1|1,1,0]=4 2688 B10R0.78 C=C(C)CNC(=O)CSCC 527a_100000765925_100000230394 [0,1,0,0,0,1|1,1,0]=4 2689 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100000765925_100020643023 [0,1,0,0,0,1|2,0,0]=4 2690 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100020643023_100000765925 [0,1,0,0,0,1|2,0,0]=4 2691 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100000765925_100020643023 [0,1,0,0,0,1|2,0,0]=4 2692 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100020643023_100000765925 [0,1,0,0,0,1|2,0,0]=4 2693 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100000765925_100020643023 [0,1,0,0,0,1|2,0,0]=4 2694 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100020643023_100000765925 [0,1,0,0,0,1|2,0,0]=4 2695 B10R0.78 C=C(C)CNC(=O)NCCF 2708a_100000765925_100000724931 [0,1,0,0,0,1|2,0,0]=4 2696 B10R0.78 C=C(C)CNC(=O)NCCF 273464a_100000724931_100000765925 [0,1,0,0,0,1|2,0,0]=4 2697 B10R0.78 C=C(C)CNC(=O)NCCF 273464a_100000765925_100000724931 [0,1,0,0,0,1|2,0,0]=4 2698 B10R0.78 C=C(C)CNC(=O)NCCF 512a_100000765925_100000724931 [0,1,0,0,0,1|2,0,0]=4 2699 B10R0.78 C=C(C)CNC(=O)NCCO 2708a_100000765925_100000210304 [0,1,0,0,0,1|2,0,0]=4 2700 B10R0.78 C=C(C)CNC(=O)NCCO 273464a_100000210304_100000765925 [0,1,0,0,0,1|2,0,0]=4 2701 B10R0.78 C=C(C)CNC(=O)NCCO 273464a_100000765925_100000210304 [0,1,0,0,0,1|2,0,0]=4 2702 B10R0.78 C=C(C)CNC(=O)NCCO 512a_100000765925_100000210304 [0,1,0,0,0,1|2,0,0]=4 2703 B10R0.78 C=C(C)CNC(=O)NNCC 273464a_100000765925_100000756455 [0,1,0,0,0,1|2,0,0]=4 2704 B10R0.78 C=C(C)CNC(=O)NNCC 512a_100000756455_100000765925 [0,1,0,0,0,1|2,0,0]=4 2705 B10R0.78 C=C(C)CNC(=O)NNCC 512a_100000765925_100000756455 [0,1,0,0,0,1|2,0,0]=4 2706 B10R0.78 C=CCCC(=O)CNC(=O)C 1458a_100000194580_100000754431 [0,1,0,0,0,1|1,0,1]=4 2707 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,1,0,0,0,1|1,0,1]=4 2708 B10R0.78 C=CCCC(=O)CSC(=O)C 1458a_100000049016_100000754431 [0,1,0,0,0,1|1,0,1]=4 2709 B10R0.78 C=CCNC(=O)CNC(=O)C 1626a_100020586998_100000194580 [0,1,0,0,0,1|1,0,1]=4 2710 B10R0.78 C=CCNC(=O)CNC(=O)C 240690a_100020586998_100000194580 [0,1,0,0,0,1|1,0,1]=4 2711 B10R0.78 C=CCNC(=O)CNC(=O)C 527a_100020586998_100000194580 [0,1,0,0,0,1|1,0,1]=4 2712 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,1,0,0,0,1|1,0,1]=4 2713 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,1,0,0,0,1|1,0,1]=4 2714 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,1,0,0,0,1|1,0,1]=4 2715 B10R0.78 C=CCNC(=O)CSC(=O)C 1626a_100020586998_100000049016 [0,1,0,0,0,1|1,0,1]=4 2716 B10R0.78 C=CCNC(=O)CSC(=O)C 240690a_100020586998_100000049016 [0,1,0,0,0,1|1,0,1]=4 2717 B10R0.78 C=CCOC(=O)NCC(=O)C 1458a_100000216761_200000210301 [0,1,0,0,0,1|0,0,1]=3 2718 B10R0.78 C=CCOC(=O)NCC(=O)[13CH3] 1458a_100000216761_200025704644 [0,1,0,0,0,1|0,0,1]=3 2719 B10R0.78 CC#CCC(=O)CNC(=O)C 1458a_100000194580_100000748600 [0,1,0,0,0,1|1,0,1]=4 2720 B10R0.78 CC#CCC(=O)COC(=O)C 1458a_100000183556_100000748600 [0,1,0,0,0,1|1,0,1]=4 2721 B10R0.78 CC#CCC(=O)CSC(=O)C 1458a_100000049016_100000748600 [0,1,0,0,0,1|1,0,1]=4 2722 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [0,1,0,0,0,1|2,0,0]=4 2723 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [0,1,0,0,0,1|2,0,0]=4 2724 B10R0.78 CC(=CCC(=O)NCCF)C 11a_100000724931_100011220947 [0,1,0,0,0,1|2,0,0]=4 2725 B10R0.78 CC(=CCC(=O)NCCF)C 1626a_100000724931_100011220947 [0,1,0,0,0,1|2,0,0]=4 2726 B10R0.78 CC(=CCC(=O)NCCF)C 240690a_100000724931_100011220947 [0,1,0,0,0,1|2,0,0]=4 2727 B10R0.78 CC(=CCC(=O)NCCF)C 527a_100000724931_100011220947 [0,1,0,0,0,1|2,0,0]=4 2728 B10R0.78 CC(=CCC(=O)NCCO)C 240690a_100000210304_100011220947 [0,1,0,0,0,1|2,0,0]=4 2729 B10R0.78 CC(=CCC(=O)NCCO)C 527a_100000210304_100011220947 [0,1,0,0,0,1|2,0,0]=4 2730 B10R0.78 CC(=O)NCC(=O)CCC#N 1458a_100000194580_100011215226 [0,1,0,0,0,1|1,0,1]=4 2731 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,1,0,0,0,1|1,0,0]=3 2732 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,1,0,0,0,1|1,0,0]=3 2733 B10R0.78 CC(=O)NCC(=O)NCC#N 1626a_100000734998_100000194580 [0,1,0,0,0,1|1,0,1]=4 2734 B10R0.78 CC(=O)NCC(=O)NCC#N 527a_100000734998_100000194580 [0,1,0,0,0,1|1,0,1]=4 2735 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000724931_100000194580 [0,1,0,0,0,1|1,0,0]=3 2736 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000725713_100015343762 [0,1,0,0,0,1|1,0,0]=3 2737 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000724931_100000194580 [0,1,0,0,0,1|1,0,0]=3 2738 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000725713_100015343762 [0,1,0,0,0,1|1,0,0]=3 2739 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000724931_100000194580 [0,1,0,0,0,1|1,0,0]=3 2740 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000725713_100015343762 [0,1,0,0,0,1|1,0,0]=3 2741 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000724931_100000194580 [0,1,0,0,0,1|1,0,0]=3 2742 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000725713_100103153847 [0,1,0,0,0,1|1,0,0]=3 2743 B10R0.78 CC(=O)NCC(=O)NCCO 240690a_100000210304_100000194580 [0,1,0,0,0,1|1,0,0]=3 2744 B10R0.78 CC(=O)NCC(=O)NCCO 527a_100000210304_100000194580 [0,1,0,0,0,1|1,0,0]=3 2745 B10R0.78 CC(=O)NNC(=O)NCCF 273464a_100000724931_100000189765 [0,1,0,0,0,1|2,0,0]=4 2746 B10R0.78 CC(=O)NNC(=O)NCCF 512a_100000189765_100000724931 [0,1,0,0,0,1|2,0,0]=4 2747 B10R0.78 CC(=O)NNC(=O)NCCO 273464a_100000210304_100000189765 [0,1,0,0,0,1|2,0,0]=4 2748 B10R0.78 CC(=O)NNC(=O)NCCO 512a_100000189765_100000210304 [0,1,0,0,0,1|2,0,0]=4 2749 B10R0.78 CC(=O)OCC(=O)CCC#N 1458a_100000183556_100011215226 [0,1,0,0,0,1|1,0,1]=4 2750 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,1,0,0,0,1|1,0,0]=3 2751 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,1,0,0,0,1|1,0,0]=3 2752 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100000036994_100015361967 [0,1,0,0,0,1|1,1,0]=4 2753 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100015361967_100000036994 [0,1,0,0,0,1|1,1,0]=4 2754 B10R0.78 CC(=O)OCC(=O)NCC#N 1626a_100000734998_100000183556 [0,1,0,0,0,1|1,0,1]=4 2755 B10R0.78 CC(=O)OCC(=O)NCC#N 527a_100000734998_100000183556 [0,1,0,0,0,1|1,0,1]=4 2756 B10R0.78 CC(=O)OCC(=O)NCCF 1626a_100000724931_100000183556 [0,1,0,0,0,1|1,0,0]=3 2757 B10R0.78 CC(=O)OCC(=O)NCCF 240690a_100000724931_100000183556 [0,1,0,0,0,1|1,0,0]=3 2758 B10R0.78 CC(=O)OCC(=O)NCCF 527a_100000724931_100000183556 [0,1,0,0,0,1|1,0,0]=3 2759 B10R0.78 CC(=O)OCC(=O)NCCO 240690a_100000210304_100000183556 [0,1,0,0,0,1|1,0,0]=3 2760 B10R0.78 CC(=O)OCC(=O)NCCO 527a_100000210304_100000183556 [0,1,0,0,0,1|1,0,0]=3 2761 B10R0.78 CC(=O)SCC(=O)CCC#N 1458a_100000049016_100011215226 [0,1,0,0,0,1|1,0,1]=4 2762 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,1,0,0,0,1|1,0,0]=3 2763 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,1,0,0,0,1|1,0,0]=3 2764 B10R0.78 CC(=O)SCC(=O)NCC#N 1626a_100000734998_100000049016 [0,1,0,0,0,1|1,0,1]=4 2765 B10R0.78 CC(=O)SCC(=O)NCCF 11a_100000724931_100000049016 [0,1,0,0,0,1|1,0,0]=3 2766 B10R0.78 CC(=O)SCC(=O)NCCF 1626a_100000724931_100000049016 [0,1,0,0,0,1|1,0,0]=3 2767 B10R0.78 CC(=O)SCC(=O)NCCF 240690a_100000724931_100000049016 [0,1,0,0,0,1|1,0,0]=3 2768 B10R0.78 CC(=O)SCC(=O)NCCO 240690a_100000210304_100000049016 [0,1,0,0,0,1|1,0,0]=3 2769 B10R0.78 CC=CCC(=O)CNC(=O)C 1458a_100000194580_100000070051 [0,1,0,0,0,1|1,0,1]=4 2770 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,1,0,0,0,1|1,0,1]=4 2771 B10R0.78 CC=CCC(=O)CSC(=O)C 1458a_100000049016_100000070051 [0,1,0,0,0,1|1,0,1]=4 2772 B10R0.78 CCC#CC(=O)CC=C(C)C 1458a_100011827653_100000761012 [0,1,0,0,0,1|2,0,0]=4 2773 B10R0.78 CCC#CC(=O)NNC(=O)C 22a_100000189765_100011827653 [0,1,0,0,0,1|2,0,0]=4 2774 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [0,1,0,0,0,1|2,0,0]=4 2775 B10R0.78 CCC=CC(=O)NCC(=O)N 11a_100000711301_100000212282 [0,1,0,0,0,1|2,0,0]=4 2776 B10R0.78 CCC=CC(=O)NCC(=O)N 240690a_100000711301_100000212282 [0,1,0,0,0,1|2,0,0]=4 2777 B10R0.78 CCC=CC(=O)NNC(=O)C 22a_100000189765_100000212282 [0,1,0,0,0,1|2,0,0]=4 2778 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,1,0,0,0,1|2,0,0]=4 2779 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,1,0,0,0,1|2,0,0]=4 2780 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,1,0,0,0,1|2,0,0]=4 2781 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,1,0,0,0,1|1,0,0]=3 2782 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,1,0,0,0,1|2,0,0]=4 2783 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,1,0,0,0,1|1,0,0]=3 2784 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,1,0,0,0,1|1,0,0]=3 2785 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,1,0,0,0,1|2,0,0]=4 2786 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,1,0,0,0,1|2,0,0]=4 2787 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,1,0,0,0,1|2,0,0]=4 2788 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,1,0,0,0,1|2,0,0]=4 2789 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,1,0,0,0,1|2,0,0]=4 2790 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,1,0,0,0,1|2,0,0]=4 2791 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,1,0,0,0,1|2,0,0]=4 2792 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,1,0,0,0,1|2,0,0]=4 2793 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,1,0,0,0,1|2,0,0]=4 2794 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,1,0,0,0,1|1,0,0]=3 2795 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,1,0,0,0,1|2,0,0]=4 2796 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,1,0,0,0,1|2,0,0]=4 2797 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,1,0,0,0,1|1,0,0]=3 2798 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,1,0,0,0,1|1,0,0]=3 2799 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,1,0,0,0,1|1,0,0]=3 2800 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,1,0,0,0,1|1,0,0]=3 2801 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,1,0,0,0,1|1,0,0]=3 2802 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,1,0,0,0,1|1,0,0]=3 2803 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,1,0,0,0,1|1,0,0]=3 2804 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,1,0,0,0,1|1,0,0]=3 2805 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,1,0,0,0,1|1,0,0]=3 2806 B10R0.78 CCCNC(=O)CNC(=O)N 240690a_100020643023_100000184981 [0,1,0,0,0,1|2,0,0]=4 2807 B10R0.78 CCCNC(=O)CNC(=O)N 527a_100020643023_100000184981 [0,1,0,0,0,1|2,0,0]=4 2808 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,1,0,0,0,1|1,0,0]=3 2809 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,1,0,0,0,1|1,0,0]=3 2810 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,1,0,0,0,1|1,0,0]=3 2811 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,1,0,0,0,1|1,0,0]=3 2812 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,1,0,0,0,1|1,0,0]=3 2813 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,1,0,0,0,1|1,0,0]=3 2814 B10R0.78 CCCNC(=O)CSC(=O)N 240690a_100020643023_200015941356 [0,1,0,0,0,1|2,0,0]=4 2815 B10R0.78 CCCNC(=O)NCC(=O)N 2708a_100020643023_100000711301 [0,1,0,0,0,1|2,0,0]=4 2816 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100000711301_100020643023 [0,1,0,0,0,1|2,0,0]=4 2817 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100020643023_100000711301 [0,1,0,0,0,1|2,0,0]=4 2818 B10R0.78 CCCNC(=O)NCC(=O)N 512a_100020643023_100000711301 [0,1,0,0,0,1|2,0,0]=4 2819 B10R0.78 CCCNC(=O)NNC(=O)C 273464a_100020643023_100000189765 [0,1,0,0,0,1|2,0,0]=4 2820 B10R0.78 CCCNC(=O)NNC(=O)C 512a_100000189765_100020643023 [0,1,0,0,0,1|2,0,0]=4 2821 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [0,1,0,0,0,1|1,0,1]=4 2822 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [0,1,0,0,0,1|1,0,1]=4 2823 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,1,0,0,0,1|1,0,1]=4 2824 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [0,1,0,0,0,1|1,0,1]=4 2825 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [0,1,0,0,0,1|1,0,1]=4 2826 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,1,0,0,0,1|0,0,0]=2 2827 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [0,1,0,0,0,1|2,0,0]=4 2828 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,1,0,0,0,1|1,0,1]=4 2829 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,1,0,0,0,1|1,0,1]=4 2830 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,1,0,0,0,1|1,0,1]=4 2831 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,1,0,0,0,1|1,0,1]=4 2832 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,1,0,0,0,1|2,0,0]=4 2833 B10R0.78 CCNCC(=O)NNC(=O)C 2230a_100015525214_100000181415 [0,1,0,0,0,1|2,0,0]=4 2834 B10R0.78 CCNN=C(C)COC(=O)C 4a_100000756455_100000000629 [0,1,0,0,0,1|2,0,0]=4 2835 B10R0.78 CCNNC(=O)CC=C(C)C 22a_100000756455_100011220947 [0,1,0,0,0,1|2,0,0]=4 2836 B10R0.78 CCNNC(=O)CCC(=O)N 22a_100000756455_100011215257 [0,1,0,0,0,1|2,0,0]=4 2837 B10R0.78 CCNNC(=O)CNC(=O)C 22a_100000756455_100000194580 [0,1,0,0,0,1|1,0,0]=3 2838 B10R0.78 CCNNC(=O)CNC(=O)N 22a_100000756455_100000184981 [0,1,0,0,0,1|2,0,0]=4 2839 B10R0.78 CCNNC(=O)COC(=O)C 22a_100000756455_100000183556 [0,1,0,0,0,1|1,0,0]=3 2840 B10R0.78 CCNNC(=O)NCC(=O)N 273464a_100000711301_100000756455 [0,1,0,0,0,1|2,0,0]=4 2841 B10R0.78 CCNNC(=O)NCC(=O)N 512a_100000756455_100000711301 [0,1,0,0,0,1|2,0,0]=4 2842 B10R0.78 CCNNC(=O)NNC(=O)C 512a_100000189765_100000756455 [0,1,0,0,0,1|2,0,0]=4 2843 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,1,0,0,0,1|1,0,0]=3 2844 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [0,1,0,0,0,1|1,0,1]=4 2845 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [0,1,0,0,0,1|0,0,2]=4 2846 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,1|0,0,0]=2 2847 B10R0.78 CCOCC(=O)NCC(=O)N 11a_100000711301_100000211967 [0,1,0,0,0,1|1,0,0]=3 2848 B10R0.78 CCOCC(=O)NCC(=O)N 240690a_100000711301_100000211967 [0,1,0,0,0,1|1,0,0]=3 2849 B10R0.78 CCOCC(=O)NCC(=O)N 527a_100000711301_100000211967 [0,1,0,0,0,1|1,0,0]=3 2850 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [0,1,0,0,0,1|1,0,1]=4 2851 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [0,1,0,0,0,1|1,0,1]=4 2852 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [0,1,0,0,0,1|1,0,1]=4 2853 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [0,1,0,0,0,1|1,0,1]=4 2854 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [0,1,0,0,0,1|1,0,1]=4 2855 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [0,1,0,0,0,1|0,0,2]=4 2856 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [0,1,0,0,0,1|0,0,2]=4 2857 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [0,1,0,0,0,1|0,0,2]=4 2858 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000189765_100000211967 [0,1,0,0,0,1|1,0,0]=3 2859 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000216846_100000070787 [0,1,0,0,0,1|1,0,0]=3 2860 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,1,0,0,0,1|1,0,1]=4 2861 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,1,0,0,0,1|0,0,2]=4 2862 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,1,0,0,0,1|0,0,2]=4 2863 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,1,0,0,0,1|0,0,2]=4 2864 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [0,1,0,0,0,1|1,1,0]=4 2865 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,1,0,0,0,1|0,1,0]=3 2866 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,1,0,0,0,1|0,1,0]=3 2867 B10R0.78 CCSCC(=O)NCC(=O)N 11a_100000711301_100000230394 [0,1,0,0,0,1|1,1,0]=4 2868 B10R0.78 CCSCC(=O)NCC(=O)N 240690a_100000711301_100000230394 [0,1,0,0,0,1|1,1,0]=4 2869 B10R0.78 CCSCC(=O)NCC(=O)N 527a_100000711301_100000230394 [0,1,0,0,0,1|1,1,0]=4 2870 B10R0.78 CCSCC(=O)NNC(=O)C 22a_100000189765_100000230394 [0,1,0,0,0,1|1,1,0]=4 2871 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000181415_100000210202 [0,1,0,0,0,1|1,1,0]=4 2872 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000210202_100000181415 [0,1,0,0,0,1|1,1,0]=4 2873 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,1,0,0,0,1|2,0,0]=4 2874 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,1,0,0,0,1|2,0,0]=4 2875 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,1,0,0,0,1|2,0,0]=4 2876 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,1,0,0,0,1|2,0,0]=4 2877 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,1,0,0,0,1|1,0,0]=3 2878 B10R0.78 COCCC(=O)CNC(=O)N 1458a_100000184981_100000233755 [0,1,0,0,0,1|2,0,0]=4 2879 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,1,0,0,0,1|1,0,0]=3 2880 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,1,0,0,0,1|1,0,0]=3 2881 B10R0.78 COCCC(=O)NCC(=O)N 11a_100000711301_100000749529 [0,1,0,0,0,1|2,0,0]=4 2882 B10R0.78 COCCC(=O)NCC(=O)N 240690a_100000711301_100000749529 [0,1,0,0,0,1|2,0,0]=4 2883 B10R0.78 COCCC(=O)NCC(=O)N 527a_100000711301_100000749529 [0,1,0,0,0,1|2,0,0]=4 2884 B10R0.78 COCCC(=O)NNC(=O)C 22a_100000189765_100000749529 [0,1,0,0,0,1|2,0,0]=4 2885 B10R0.78 COCCC(=O)NNC(=O)C 22a_100011260505_100000070787 [0,1,0,0,0,1|2,0,0]=4 2886 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,1,0,0,0,1|2,0,0]=4 2887 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,1,0,0,0,1|2,0,0]=4 2888 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,1,0,0,0,1|2,0,0]=4 2889 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,1,0,0,0,1|1,0,0]=3 2890 B10R0.78 CSCCC(=O)CNC(=O)N 1458a_100000184981_100000751147 [0,1,0,0,0,1|2,0,0]=4 2891 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,1,0,0,0,1|1,0,0]=3 2892 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,1,0,0,0,1|1,0,0]=3 2893 B10R0.78 CSCCC(=O)NCC(=O)N 11a_100000711301_100000174002 [0,1,0,0,0,1|2,0,0]=4 2894 B10R0.78 CSCCC(=O)NCC(=O)N 240690a_100000711301_100000174002 [0,1,0,0,0,1|2,0,0]=4 2895 B10R0.78 CSCCC(=O)NCC(=O)N 527a_100000711301_100000174002 [0,1,0,0,0,1|2,0,0]=4 2896 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [0,1,0,0,0,1|2,0,0]=4 2897 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,1,0,0,0,1|2,0,0]=4 2898 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,1,0,0,0,1|2,0,0]=4 2899 B10R0.78 NC(=O)CCC(=O)NCCF 240690a_100000724931_100011215257 [0,1,0,0,0,1|2,0,0]=4 2900 B10R0.78 NC(=O)CCC(=O)NCCF 527a_100000724931_100011215257 [0,1,0,0,0,1|2,0,0]=4 2901 B10R0.78 NC(=O)CCC(=O)NCCO 240690a_100000210304_100011215257 [0,1,0,0,0,1|2,0,0]=4 2902 B10R0.78 NC(=O)CCC(=O)NCCO 527a_100000210304_100011215257 [0,1,0,0,0,1|2,0,0]=4 2903 B10R0.78 NC(=O)CNC(=O)NCCF 273464a_100000711301_100000724931 [0,1,0,0,0,1|2,0,0]=4 2904 B10R0.78 NC(=O)CNC(=O)NCCF 273464a_100000724931_100000711301 [0,1,0,0,0,1|2,0,0]=4 2905 B10R0.78 NC(=O)CNC(=O)NCCO 273464a_100000210304_100000711301 [0,1,0,0,0,1|2,0,0]=4 2906 B10R0.78 NC(=O)CNC(=O)NCCO 273464a_100000711301_100000210304 [0,1,0,0,0,1|2,0,0]=4 2907 B10R0.78 NC(=O)NCC(=O)CCCF 1458a_100000184981_100011934791 [0,1,0,0,0,1|2,0,0]=4 2908 B10R0.78 NC(=O)NCC(=O)CCCO 1458a_100000184981_100011215043 [0,1,0,0,0,1|2,0,0]=4 2909 B10R0.78 NC(=O)NCC(=O)NCCF 240690a_100000724931_100000184981 [0,1,0,0,0,1|2,0,0]=4 2910 B10R0.78 NC(=O)NCC(=O)NCCF 527a_100000724931_100000184981 [0,1,0,0,0,1|2,0,0]=4 2911 B10R0.78 NC(=O)NCC(=O)NCCO 240690a_100000210304_100000184981 [0,1,0,0,0,1|2,0,0]=4 2912 B10R0.78 NC(=O)NCC(=O)NCCO 527a_100000210304_100000184981 [0,1,0,0,0,1|2,0,0]=4 2913 B10R0.78 NC(=O)SCC(=O)NCCF 240690a_100000724931_200015941356 [0,1,0,0,0,1|2,0,0]=4 2914 B10R0.78 NC(=O)SCC(=O)NCCO 240690a_100000210304_200015941356 [0,1,0,0,0,1|2,0,0]=4 2915 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,1,0,0,0,1|2,0,0]=4 2916 B10R0.96 C=C(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748629 [0,1,0,0,0,1|1,0,1]=4 2917 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,1,0,0,0,1|1,0,1]=4 2918 B10R0.96 C=C(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748629 [0,1,0,0,0,1|1,0,1]=4 2919 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,1,0,0,0,1|2,0,0]=4 2920 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,1,0,0,0,1|2,0,0]=4 2921 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,1,0,0,0,1|2,0,0]=4 2922 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,1,0,0,0,1|2,0,0]=4 2923 B10R0.96 C=C(C)CCC(=O)NC(C)C 11a_100138425928_200000688413 [0,1,0,0,0,1|2,0,0]=4 2924 B10R0.96 C=C(C)CCC(=O)NC(C)C 1626a_100138425928_200000688413 [0,1,0,0,0,1|2,0,0]=4 2925 B10R0.96 C=C(C)CCC(=O)NC(C)C 240690a_100138425928_200000688413 [0,1,0,0,0,1|2,0,0]=4 2926 B10R0.96 C=C(C)CCC(=O)NC(C)C 527a_100138425928_200000688413 [0,1,0,0,0,1|2,0,0]=4 2927 B10R0.96 C=C(C)CNC(=O)CC(C)C 11a_100000765925_100000210554 [0,1,0,0,0,1|2,0,0]=4 2928 B10R0.96 C=C(C)CNC(=O)CC(C)C 1626a_100000765925_100000210554 [0,1,0,0,0,1|2,0,0]=4 2929 B10R0.96 C=C(C)CNC(=O)CC(C)C 240690a_100000765925_100000210554 [0,1,0,0,0,1|2,0,0]=4 2930 B10R0.96 C=C(C)CNC(=O)CC(C)C 527a_100000765925_100000210554 [0,1,0,0,0,1|2,0,0]=4 2931 B10R0.96 C=C(C)CNC(=O)C[C@@H](C)O 240690a_100000765925_100011933948 [0,1,0,0,0,1|2,0,0]=4 2932 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100000765925_100138425928 [0,1,0,0,0,1|2,0,0]=4 2933 B10R0.96 C=C(C)CNC(=O)NC(C)C 2708a_100138425928_100000765925 [0,1,0,0,0,1|2,0,0]=4 2934 B10R0.96 C=C(C)CNC(=O)NC(C)C 273464a_100138425928_100000765925 [0,1,0,0,0,1|2,0,0]=4 2935 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100000765925_100138425928 [0,1,0,0,0,1|2,0,0]=4 2936 B10R0.96 C=C(C)CNC(=O)NC(C)C 512a_100138425928_100000765925 [0,1,0,0,0,1|2,0,0]=4 2937 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,1,0,0,0,1|2,0,0]=4 2938 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,1,0,0,0,1|2,0,0]=4 2939 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,1,0,0,0,1|2,0,0]=4 2940 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,1,0,0,0,1|2,0,0]=4 2941 B10R0.96 CC(=CCC(=O)NC(C)C)C 11a_100138425928_100011220947 [0,1,0,0,0,1|2,0,0]=4 2942 B10R0.96 CC(=CCC(=O)NC(C)C)C 1626a_100138425928_100011220947 [0,1,0,0,0,1|2,0,0]=4 2943 B10R0.96 CC(=CCC(=O)NC(C)C)C 240690a_100138425928_100011220947 [0,1,0,0,0,1|2,0,0]=4 2944 B10R0.96 CC(=CCC(=O)NC(C)C)C 527a_100138425928_100011220947 [0,1,0,0,0,1|2,0,0]=4 2945 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,0,0,0,1|1,0,0]=3 2946 B10R0.96 CC(=O)CCC(=O)NN(C)C 1458a_100011219620_200000210301 [0,1,0,0,0,1|2,0,0]=4 2947 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,1|0,0,0]=2 2948 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,1,0,0,0,1|1,0,0]=3 2949 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,1,0,0,0,1|0,0,0]=2 2950 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,1,0,0,0,1|1,0,0]=3 2951 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,1,0,0,0,1|1,0,0]=3 2952 B10R0.96 CC(=O)NCC(=O)CC(F)F 1458a_100000194580_100011934356 [0,1,0,0,0,1|2,0,0]=4 2953 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100000168517_100015343762 [0,1,0,0,0,1|1,0,0]=3 2954 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194580 [0,1,0,0,0,1|1,0,0]=3 2955 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100000168517_100015343762 [0,1,0,0,0,1|1,0,0]=3 2956 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194580 [0,1,0,0,0,1|1,0,0]=3 2957 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100000168517_100015343762 [0,1,0,0,0,1|1,0,0]=3 2958 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194580 [0,1,0,0,0,1|1,0,0]=3 2959 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100000168517_100103153847 [0,1,0,0,0,1|1,0,0]=3 2960 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194580 [0,1,0,0,0,1|1,0,0]=3 2961 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189765_100000210554 [0,1,0,0,0,1|2,0,0]=4 2962 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189787_100000070787 [0,1,0,0,0,1|2,0,0]=4 2963 B10R0.96 CC(=O)NNC(=O)C[C@@H](C)O 22a_100000189765_100011933948 [0,1,0,0,0,1|2,0,0]=4 2964 B10R0.96 CC(=O)NNC(=O)NC(C)C 273464a_100138425928_100000189765 [0,1,0,0,0,1|2,0,0]=4 2965 B10R0.96 CC(=O)NNC(=O)NC(C)C 512a_100000189765_100138425928 [0,1,0,0,0,1|2,0,0]=4 2966 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,0,0,0,1|1,0,0]=3 2967 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,1,0,0,0,1|1,0,0]=3 2968 B10R0.96 CC(=O)OCC(=O)CC(F)F 1458a_100000183556_100011934356 [0,1,0,0,0,1|2,0,0]=4 2969 B10R0.96 CC(=O)OCC(=O)CN(C)C 269982a_100102631434_100000036994 [0,1,0,0,0,1|2,0,0]=4 2970 B10R0.96 CC(=O)OCC(=O)NC(C)C 1626a_100138425928_100000183556 [0,1,0,0,0,1|1,0,0]=3 2971 B10R0.96 CC(=O)OCC(=O)NC(C)C 240690a_100138425928_100000183556 [0,1,0,0,0,1|1,0,0]=3 2972 B10R0.96 CC(=O)OCC(=O)NC(C)C 527a_100138425928_100000183556 [0,1,0,0,0,1|1,0,0]=3 2973 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,1,0,0,0,1|1,0,0]=3 2974 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,1,0,0,0,1|1,0,0]=3 2975 B10R0.96 CC(=O)SCC(=O)CC(F)F 1458a_100000049016_100011934356 [0,1,0,0,0,1|2,0,0]=4 2976 B10R0.96 CC(=O)SCC(=O)NC(C)C 11a_100138425928_100000049016 [0,1,0,0,0,1|1,0,0]=3 2977 B10R0.96 CC(=O)SCC(=O)NC(C)C 1626a_100138425928_100000049016 [0,1,0,0,0,1|1,0,0]=3 2978 B10R0.96 CC(=O)SCC(=O)NC(C)C 240690a_100138425928_100000049016 [0,1,0,0,0,1|1,0,0]=3 2979 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,1,0,0,0,1|2,0,0]=4 2980 B10R0.96 CC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000210624 [0,1,0,0,0,1|2,0,0]=4 2981 B10R0.96 CC(C)CC(=O)NCC(=O)N 11a_100000711301_100000210554 [0,1,0,0,0,1|2,0,0]=4 2982 B10R0.96 CC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000210554 [0,1,0,0,0,1|2,0,0]=4 2983 B10R0.96 CC(C)CC(=O)NCC(=O)N 527a_100000711301_100000210554 [0,1,0,0,0,1|2,0,0]=4 2984 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,1,0,0,0,1|1,0,0]=3 2985 B10R0.96 CC(C)NC(=O)CCC(=O)N 240690a_100138425928_100011215257 [0,1,0,0,0,1|2,0,0]=4 2986 B10R0.96 CC(C)NC(=O)CCC(=O)N 527a_100138425928_100011215257 [0,1,0,0,0,1|2,0,0]=4 2987 B10R0.96 CC(C)NC(=O)CNC(=O)N 240690a_100138425928_100000184981 [0,1,0,0,0,1|2,0,0]=4 2988 B10R0.96 CC(C)NC(=O)CNC(=O)N 527a_100138425928_100000184981 [0,1,0,0,0,1|2,0,0]=4 2989 B10R0.96 CC(C)NC(=O)CSC(=O)N 240690a_100138425928_200015941356 [0,1,0,0,0,1|2,0,0]=4 2990 B10R0.96 CC(C)NC(=O)NCC(=O)N 2708a_100138425928_100000711301 [0,1,0,0,0,1|2,0,0]=4 2991 B10R0.96 CC(C)NC(=O)NCC(=O)N 273464a_100138425928_100000711301 [0,1,0,0,0,1|2,0,0]=4 2992 B10R0.96 CC(C)NC(=O)NCC(=O)N 512a_100138425928_100000711301 [0,1,0,0,0,1|2,0,0]=4 2993 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,1,0,0,0,1|1,0,1]=4 2994 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,1,0,0,0,1|1,0,1]=4 2995 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,1,0,0,0,1|2,0,0]=4 2996 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,1,0,0,0,1|2,0,0]=4 2997 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,1,0,0,0,1|1,0,1]=4 2998 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,1,0,0,0,1|1,0,1]=4 2999 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,1,0,0,0,1|2,0,0]=4 3000 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,1,0,0,0,1|1,0,1]=4 3001 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,1,0,0,0,1|2,0,0]=4 3002 B10R0.96 CC(O)CC(=O)CNC(=O)N 1458a_100000184981_100011218427 [0,1,0,0,0,1|2,0,0]=4 3003 B10R0.96 CN(C)NC(=O)CCC(=O)[13CH3] 1458a_100011219620_200025704644 [0,1,0,0,0,1|2,0,0]=4 3004 B10R0.96 C[C@@H](O)CC(=O)NCC(=O)N 240690a_100000711301_100011933948 [0,1,0,0,0,1|2,0,0]=4 3005 B10R0.108 C#CC(=O)COC(=O)CCC 1458a_100000211873_100000034017 [0,1,0,0,0,1|1,0,1]=4 3006 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,1,0,0,0,1|1,0,1]=4 3007 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,1,0,0,0,1|1,0,1]=4 3008 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,1,0,0,0,1|1,0,1]=4 3009 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,1,0,0,0,1|1,0,1]=4 3010 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,1,0,0,0,1|1,0,1]=4 3011 B10R0.108 C=CC(=O)COC(=O)CCC 1458a_100000185746_100000034017 [0,1,0,0,0,1|1,0,1]=4 3012 B10R0.108 C=CC(=O)NCC(=O)CCC 1458a_200011222540_100000210303 [0,1,0,0,0,1|1,0,1]=4 3013 B10R0.108 C=CC(=O)NCC(=O)NCC 11a_100015525214_200011222540 [0,1,0,0,0,1|1,0,1]=4 3014 B10R0.108 C=CC(=O)NCC(=O)NCC 1626a_100016988866_100000185746 [0,1,0,0,0,1|1,0,1]=4 3015 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100015525214_200011222540 [0,1,0,0,0,1|1,0,1]=4 3016 B10R0.108 C=CC(=O)NCC(=O)NCC 240690a_100016988866_200121576911 [0,1,0,0,0,1|1,0,1]=4 3017 B10R0.108 C=CC(=O)NCC(=O)NCC 527a_100015525214_200011222540 [0,1,0,0,0,1|1,0,1]=4 3018 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,1,0,0,0,1|1,0,1]=4 3019 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,1,0,0,0,1|1,0,1]=4 3020 B10R0.108 CC=CC(=O)NCC(=O)NC 11a_100000693194_100000210699 [0,1,0,0,0,1|1,0,1]=4 3021 B10R0.108 CC=CC(=O)NCC(=O)NC 240690a_100000693194_100000210699 [0,1,0,0,0,1|1,0,1]=4 3022 B10R0.108 CC=CC(=O)NCC(=O)OC 188690a_100000185156_100000210699 [0,1,0,0,0,1|1,0,1]=4 3023 B10R0.108 CCC(=O)NCC(=O)CCF 1458a_100000194589_100011217306 [0,1,0,0,0,1|2,0,0]=4 3024 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [0,1,0,0,0,1|2,0,0]=4 3025 B10R0.108 CCC(=O)NCC(=O)NNC 22a_100016993582_100000194589 [0,1,0,0,0,1|2,0,0]=4 3026 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,1,0,0,0,1|1,0,1]=4 3027 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,1,0,0,0,1|1,0,0]=3 3028 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,0,0,0,1|1,0,0]=3 3029 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,1,0,0,0,1|2,0,0]=4 3030 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,1,0,0,0,1|1,0,0]=3 3031 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,1,0,0,0,1|1,0,0]=3 3032 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,1,0,0,0,1|1,0,0]=3 3033 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,1,0,0,0,1|1,0,0]=3 3034 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,1,0,0,0,1|1,0,0]=3 3035 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,1,0,0,0,1|1,0,0]=3 3036 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [0,1,0,0,0,1|2,0,0]=4 3037 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [0,1,0,0,0,1|2,0,0]=4 3038 B10R0.108 CCCC(=O)NNC(=O)CO 22a_100000189770_100000210174 [0,1,0,0,0,1|2,0,0]=4 3039 B10R0.108 CCCC(=O)NNC(=O)NC 273464a_100102657272_100000189770 [0,1,0,0,0,1|2,0,0]=4 3040 B10R0.108 CCCC(=O)NNC(=O)NC 512a_100000189770_100102657272 [0,1,0,0,0,1|2,0,0]=4 3041 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,1,0,0,0,1|1,0,0]=3 3042 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,1,0,0,0,1|1,0,0]=3 3043 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,1,0,0,0,1|1,0,0]=3 3044 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,1,0,0,0,1|1,0,0]=3 3045 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,1,0,0,0,1|1,0,0]=3 3046 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,1,0,0,0,1|1,0,0]=3 3047 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,1,0,0,0,1|1,0,0]=3 3048 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,1,0,0,0,1|1,0,0]=3 3049 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,1,0,0,0,1|1,0,0]=3 3050 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,1,0,0,0,1|1,0,0]=3 3051 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,0,0,0,1|1,0,0]=3 3052 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,0,0,0,1|1,0,0]=3 3053 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,0,0,0,1|1,0,0]=3 3054 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,1,0,0,0,1|2,0,0]=4 3055 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,1,0,0,0,1|2,0,0]=4 3056 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,1,0,0,0,1|2,0,0]=4 3057 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,1,0,0,0,1|1,0,0]=3 3058 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,1,0,0,0,1|1,0,0]=3 3059 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,1,0,0,0,1|1,0,0]=3 3060 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,1,0,0,0,1|1,0,0]=3 3061 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,1,0,0,0,1|1,0,0]=3 3062 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,1,0,0,0,1|1,0,0]=3 3063 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,1,0,0,0,1|1,0,0]=3 3064 B10R0.108 CCNC(=O)CNC(=O)CO 240690a_100016988866_100000210174 [0,1,0,0,0,1|1,0,0]=3 3065 B10R0.108 CCNC(=O)CNC(=O)CO 527a_100016988866_100000210174 [0,1,0,0,0,1|1,0,0]=3 3066 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100016988866_106832991635 [0,1,0,0,0,1|1,0,0]=3 3067 B10R0.108 CCNC(=O)CNC(=O)NC 2708a_100102657272_100016988866 [0,1,0,0,0,1|1,0,0]=3 3068 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100016988866_100102657272 [0,1,0,0,0,1|1,0,0]=3 3069 B10R0.108 CCNC(=O)CNC(=O)NC 273464a_100102657272_100016988866 [0,1,0,0,0,1|1,0,0]=3 3070 B10R0.108 CCNC(=O)CNC(=O)NC 512a_100016988866_100102657272 [0,1,0,0,0,1|1,0,0]=3 3071 B10R0.108 CCNC(=O)CNC(=O)NC 512a_106832991638_100016988866 [0,1,0,0,0,1|1,0,0]=3 3072 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,1,0,0,0,1|1,0,0]=3 3073 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,1,0,0,0,1|1,0,0]=3 3074 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,1,0,0,0,1|1,0,0]=3 3075 B10R0.108 CCNC(=O)NCC(=O)NC 2708a_100015525214_100000693194 [0,1,0,0,0,1|1,0,0]=3 3076 B10R0.108 CCNC(=O)NCC(=O)NC 273464a_100000693194_100015525214 [0,1,0,0,0,1|1,0,0]=3 3077 B10R0.108 CCNC(=O)NCC(=O)NC 273464a_100015525214_100000693194 [0,1,0,0,0,1|1,0,0]=3 3078 B10R0.108 CCNC(=O)NCC(=O)NC 512a_100015525214_100000693194 [0,1,0,0,0,1|1,0,0]=3 3079 B10R0.108 CCNC(=O)NNC(=O)CC 273464a_100015525214_100000183195 [0,1,0,0,0,1|2,0,0]=4 3080 B10R0.108 CCNC(=O)NNC(=O)CC 512a_100015525214_100000183195 [0,1,0,0,0,1|2,0,0]=4 3081 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,1,0,0,0,1|0,0,1]=3 3082 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,1,0,0,0,1|0,0,1]=3 3083 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,1,0,0,0,1|0,0,1]=3 3084 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,1,0,0,0,1|0,0,1]=3 3085 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,1|0,0,0]=2 3086 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,1|0,0,0]=2 3087 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,1|0,0,0]=2 3088 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,1|0,0,0]=2 3089 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,1|0,0,0]=2 3090 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,1,0,0,0,1|1,0,1]=4 3091 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,1,0,0,0,1|1,0,1]=4 3092 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,1,0,0,0,1|1,0,1]=4 3093 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,1,0,0,0,1|0,0,2]=4 3094 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,1,0,0,0,1|0,1,1]=4 3095 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,1,0,0,0,1|0,1,1]=4 3096 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,1,0,0,0,1|0,1,1]=4 3097 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,1,0,0,0,1|0,1,1]=4 3098 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,1,0,0,0,1|2,0,0]=4 3099 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,1,0,0,0,1|2,0,0]=4 3100 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,1,0,0,0,1|2,0,0]=4 3101 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,1,0,0,0,1|2,0,0]=4 3102 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,1,0,0,0,1|2,0,0]=4 3103 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,1,0,0,0,1|2,0,0]=4 3104 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,1,0,0,0,1|2,0,0]=4 3105 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,1,0,0,0,1|2,0,0]=4 3106 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,1,0,0,0,1|2,0,0]=4 3107 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,1|0,0,0]=2 3108 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,0,0,0,1|0,0,0]=2 3109 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,1,0,0,0,1|1,0,1]=4 3110 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,1,0,0,0,1|1,0,1]=4 3111 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,1,0,0,0,1|0,0,2]=4 3112 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,1,0,0,0,1|1,0,1]=4 3113 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,1,0,0,0,1|1,0,1]=4 3114 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,1,0,0,0,1|1,0,1]=4 3115 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,1,0,0,0,1|1,0,1]=4 3116 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,1,0,0,0,1|1,0,1]=4 3117 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,1,0,0,0,1|1,0,1]=4 3118 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,1,0,0,0,1|1,0,1]=4 3119 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,1,0,0,0,1|1,0,1]=4 3120 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,1,0,0,0,1|1,0,1]=4 3121 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,1,0,0,0,1|0,0,2]=4 3122 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,1,0,0,0,1|0,0,2]=4 3123 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,1,0,0,0,1|0,0,2]=4 3124 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,1,0,0,0,1|0,0,2]=4 3125 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,1,0,0,0,1|0,0,2]=4 3126 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,1|0,0,0]=2 3127 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,1,0,0,0,1|0,0,0]=2 3128 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,1|0,0,0]=2 3129 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,1|0,0,0]=2 3130 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,1|0,0,0]=2 3131 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,1|0,0,0]=2 3132 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [0,1,0,0,0,1|2,0,0]=4 3133 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [0,1,0,0,0,1|2,0,0]=4 3134 B10R0.108 CNC(=O)CNC(=O)CCO 240690a_100000693194_100011216618 [0,1,0,0,0,1|2,0,0]=4 3135 B10R0.108 CNC(=O)CNC(=O)COC 11a_100000693194_100000210968 [0,1,0,0,0,1|2,0,0]=4 3136 B10R0.108 CNC(=O)CNC(=O)COC 240690a_100000693194_100000210968 [0,1,0,0,0,1|2,0,0]=4 3137 B10R0.108 CNC(=O)CNC(=O)COC 527a_100000693194_100000210968 [0,1,0,0,0,1|2,0,0]=4 3138 B10R0.108 CNC(=O)CNC(=O)CSC 11a_100000693194_100000184570 [0,1,0,0,0,1|2,0,0]=4 3139 B10R0.108 CNC(=O)CNC(=O)CSC 240690a_100000693194_100000184570 [0,1,0,0,0,1|2,0,0]=4 3140 B10R0.108 CNC(=O)CNC(=O)CSC 527a_100000693194_100000184570 [0,1,0,0,0,1|2,0,0]=4 3141 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,1,0,0,0,1|2,0,0]=4 3142 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,1,0,0,0,1|2,0,0]=4 3143 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,1,0,0,0,1|2,0,0]=4 3144 B10R0.108 CNCC(=O)NCC(=O)OC 2230a_106832991635_100000182966 [0,1,0,0,0,1|2,0,0]=4 3145 B10R0.108 CNCC(=O)NCC(=O)OC 34a_100102657272_100000182966 [0,1,0,0,0,1|2,0,0]=4 3146 B10R0.108 CNCC(=O)NCC(=O)OC 7a_106832991635_100000182966 [0,1,0,0,0,1|2,0,0]=4 3147 B10R0.108 CNNC(=O)CCC(=O)NC 22a_100016993582_100011309844 [0,1,0,0,0,1|2,0,0]=4 3148 B10R0.108 CNNC(=O)CNC(=O)OC 22a_100016993582_100000215747 [0,1,0,0,0,1|2,0,0]=4 3149 B10R0.108 CNNC(=O)NCC(=O)NC 273464a_100000693194_100016993582 [0,1,0,0,0,1|2,0,0]=4 3150 B10R0.108 CNNC(=O)NCC(=O)NC 512a_100016993582_100000693194 [0,1,0,0,0,1|2,0,0]=4 3151 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,1,0,0,0,1|2,0,0]=4 3152 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,1,0,0,0,1|2,0,0]=4 3153 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,1,0,0,0,1|2,0,0]=4 3154 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,1,0,0,0,1|2,0,0]=4 3155 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,1,0,0,0,1|2,0,0]=4 3156 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,1,0,0,0,1|2,0,0]=4 3157 B10R0.108 COC(=O)CNC(=O)CSC 188690a_100000185156_100000184570 [0,1,0,0,0,1|2,0,0]=4 3158 B10R0.108 COC(=O)CNC(=O)CSC 62a_100000182966_200000210301 [0,1,0,0,0,1|2,0,0]=4 3159 B10R0.108 COC(=O)CNC(=O)CSC 62a_200000210301_100000182966 [0,1,0,0,0,1|2,0,0]=4 3160 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_100000182966_200025704644 [0,1,0,0,0,1|2,0,0]=4 3161 B10R0.108 COC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100000182966 [0,1,0,0,0,1|2,0,0]=4 3162 B10R0.108 COC(=O)NCC(=O)CCF 1458a_100000215747_100011217306 [0,1,0,0,0,1|2,0,0]=4 3163 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,1,0,0,0,1|2,0,0]=4 3164 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,1,0,0,0,1|2,0,0]=4 3165 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,1,0,0,0,1|2,0,0]=4 3166 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,1,0,0,0,1|2,0,0]=4 3167 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,1,0,0,0,1|2,0,0]=4 3168 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,1,0,0,0,1|2,0,0]=4 3169 B10R0.109 CCCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210303 [0,1,0,0,0,1|2,0,0]=4 3170 B10R0.109 CCNC(=O)CCS(=O)(=O)C 11a_100015525214_100000737124 [0,1,0,0,0,1|2,0,0]=4 3171 B10R0.109 CCNC(=O)CCS(=O)(=O)C 240690a_100015525214_100000737124 [0,1,0,0,0,1|2,0,0]=4 3172 B10R0.109 CCNC(=O)CCS(=O)(=O)C 527a_100015525214_100000737124 [0,1,0,0,0,1|2,0,0]=4 3173 B10R0.109 CCNC(=O)CNS(=O)(=O)C 11a_100015525214_100000737300 [0,1,0,0,0,1|2,0,0]=4 3174 B10R0.109 CCNC(=O)CNS(=O)(=O)C 240690a_100015525214_100000737300 [0,1,0,0,0,1|2,0,0]=4 3175 B10R0.109 CCNC(=O)CNS(=O)(=O)C 40a_100016988866_100000738038 [0,1,0,0,0,1|2,0,0]=4 3176 B10R0.109 CCOC(=O)CNC(C)(C)C 2230a_100000715429_100000188475 [0,1,0,0,0,1|1,0,1]=4 3177 B10R0.109 CCOC(=O)COC(C)(C)C 34a_100015890283_100000188475 [0,1,0,0,0,1|1,0,1]=4 3178 B10R0.109 CCOC(=O)COC(C)(C)C 7a_100015890283_100000188475 [0,1,0,0,0,1|1,0,1]=4 3179 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000188475_100000211941 [0,1,0,0,0,1|1,0,1]=4 3180 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000211941_100000188475 [0,1,0,0,0,1|1,0,1]=4 3181 B10R0.6 C#CCCCC(=O)CC(=C)C 1458a_100000690238_100000748629 [0,2,0,0,0,0|2,0,0]=4 3182 B10R0.6 C#CCCCC(=O)CC(=O)N 1458a_100000690238_100000187820 [0,2,0,0,0,0|2,0,0]=4 3183 B10R0.6 C#CCCCC(=O)CC(=O)N 1458a_100134613110_100000731252 [0,2,0,0,0,0|2,0,0]=4 3184 B10R0.6 C#CCCCC(=O)CC(=O)[O-] 1458a_100000690238_100020667443 [0,2,0,0,0,0|2,0,0]=4 3185 B10R0.6 C#CCCNC(=O)CC(=O)N 240690a_100000755551_100134613110 [0,2,0,0,0,0|2,0,0]=4 3186 B10R0.6 C#CCCNC(=O)CC(=O)N 527a_100000755551_100134613110 [0,2,0,0,0,0|2,0,0]=4 3187 B10R0.6 C#CCOCC(=O)CC(=C)C 1458a_100011251226_100000748629 [0,2,0,0,0,0|1,0,1]=4 3188 B10R0.6 C#CCOCC(=O)CC(=O)N 1458a_100011251226_100000187820 [0,2,0,0,0,0|1,0,1]=4 3189 B10R0.6 C#CCOCC(=O)CC(=O)[O-] 1458a_100011251226_100020667443 [0,2,0,0,0,0|1,0,1]=4 3190 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [0,2,0,0,0,0|2,0,0]=4 3191 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [0,2,0,0,0,0|2,0,0]=4 3192 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,2,0,0,0,0|2,0,0]=4 3193 B10R0.6 C=C(C)CC(=O)C=CCOC 1458a_100016285016_100000748629 [0,2,0,0,0,0|2,0,0]=4 3194 B10R0.6 C=C(C)CC(=O)C=COCC 1458a_100016266692_100000748629 [0,2,0,0,0,0|1,0,0]=3 3195 B10R0.6 C=C(C)CC(=O)CCCC#N 1458a_100000075515_100000748629 [0,2,0,0,0,0|2,0,0]=4 3196 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|2,0,0]=4 3197 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,2,0,0,0,0|2,0,0]=4 3198 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,2,0,0,0,0|2,0,0]=4 3199 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,2,0,0,0,0|2,0,0]=4 3200 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,2,0,0,0,0|1,0,0]=3 3201 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,2,0,0,0,0|1,1,0]=4 3202 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,2,0,0,0,0|1,0,0]=3 3203 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [0,2,0,0,0,0|1,0,0]=3 3204 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,2,0,0,0,0|1,1,0]=4 3205 B10R0.6 C=C(F)CC(=O)C=COCC 1458a_100016266692_100009893438 [0,2,0,0,0,0|1,0,1]=4 3206 B10R0.6 C=C(F)CC(=O)CCOCC 1458a_100000749530_100009893438 [0,2,0,0,0,0|1,0,1]=4 3207 B10R0.6 C=C(F)CC(=O)COCCC 1458a_100000745993_100009893438 [0,2,0,0,0,0|1,0,1]=4 3208 B10R0.6 C=C(F)CC(=O)COCCO 1458a_100000708028_100009893438 [0,2,0,0,0,0|1,0,1]=4 3209 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,2,0,0,0,0|2,0,0]=4 3210 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100000766728_100000187820 [0,2,0,0,0,0|2,0,0]=4 3211 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100134613110_100000757094 [0,2,0,0,0,0|2,0,0]=4 3212 B10R0.6 C=CCCCC(=O)CC(=O)[O-] 1458a_100000766728_100020667443 [0,2,0,0,0,0|2,0,0]=4 3213 B10R0.6 C=CCCNC(=O)CC(=O)N 240690a_100015191253_100134613110 [0,2,0,0,0,0|2,0,0]=4 3214 B10R0.6 C=CCCNC(=O)CC(=O)N 527a_100015191253_100134613110 [0,2,0,0,0,0|2,0,0]=4 3215 B10R0.6 CC#CCNC(=O)CC(=O)N 527a_100000685387_100134613110 [0,2,0,0,0,0|2,0,0]=4 3216 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,2,0,0,0,0|0,0,0]=2 3217 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,2,0,0,0,0|0,0,0]=2 3218 B10R0.6 CC(=O)NC(=O)CSCCF 62a_100011217306_100000183797 [0,2,0,0,0,0|1,1,0]=4 3219 B10R0.6 CC(=O)NC(=O)CSCCO 62a_100000211926_100000183797 [0,2,0,0,0,0|1,1,0]=4 3220 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,2,0,0,0,0|1,0,1]=4 3221 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,2,0,0,0,0|0,0,2]=4 3222 B10R0.6 CC/C=C/CC(=O)CC(=O)N 1458a_100016274230_100000187820 [0,2,0,0,0,0|2,0,0]=4 3223 B10R0.6 CC/C=C/CC(=O)CC(=O)[O-] 1458a_100016274230_100020667443 [0,2,0,0,0,0|2,0,0]=4 3224 B10R0.6 CC/C=C\CC(=O)CC(=O)N 1458a_100134613110_100103147603 [0,2,0,0,0,0|2,0,0]=4 3225 B10R0.6 CCC#CCC(=O)CC(=O)N 1458a_100134613110_100009813939 [0,2,0,0,0,0|2,0,0]=4 3226 B10R0.6 CCCC#CC(=O)CC(=O)N 1458a_200011218047_100000187820 [0,2,0,0,0,0|2,0,0]=4 3227 B10R0.6 CCCC#CC(=O)CC(=O)[O-] 1458a_200011218047_100020667443 [0,2,0,0,0,0|2,0,0]=4 3228 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [0,2,0,0,0,0|2,0,0]=4 3229 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [0,2,0,0,0,0|2,0,0]=4 3230 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|1,0,0]=3 3231 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|2,0,0]=4 3232 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|2,0,0]=4 3233 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|2,0,0]=4 3234 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|1,0,0]=3 3235 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,2,0,0,0,0|2,0,0]=4 3236 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,2,0,0,0,0|2,0,0]=4 3237 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|0,0,0]=2 3238 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,2,0,0,0,0|2,0,0]=4 3239 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,2,0,0,0,0|2,0,0]=4 3240 B10R0.6 CCCNNC(=O)CC(=O)N 22a_100000740057_100134613110 [0,2,0,0,0,0|2,0,0]=4 3241 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,0]=3 3242 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|1,0,0]=3 3243 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,2,0,0,0,0|1,0,1]=4 3244 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|0,0,2]=4 3245 B10R0.6 CCCOCC(=O)C[N+](=O)[O-] 1458a_100000745993_100000761209 [0,2,0,0,0,0|2,0,0]=4 3246 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,2,0,0,0,0|1,1,0]=4 3247 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,2,0,0,0,0|1,1,0]=4 3248 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,2,0,0,0,0|1,1,0]=4 3249 B10R0.6 CCOC=CC(=O)CC(=O)N 1458a_100016266692_100000187820 [0,2,0,0,0,0|1,0,0]=3 3250 B10R0.6 CCOC=CC(=O)CC(=O)[O-] 1458a_100016266692_100020667443 [0,2,0,0,0,0|1,0,0]=3 3251 B10R0.6 CCOC=CC(=O)CC(C)C 1458a_100016266692_100000210624 [0,2,0,0,0,0|1,0,1]=4 3252 B10R0.6 CCOC=CC(=O)CC(C)O 1458a_100016266692_100011218427 [0,2,0,0,0,0|0,0,2]=4 3253 B10R0.6 CCOC=CC(=O)C[N+](=O)[O-] 1458a_100016266692_100000761209 [0,2,0,0,0,0|2,0,0]=4 3254 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,2,0,0,0,0|1,0,1]=4 3255 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,2,0,0,0,0|1,0,1]=4 3256 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,2,0,0,0,0|1,0,1]=4 3257 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,2,0,0,0,0|1,0,0]=3 3258 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,2,0,0,0,0|1,0,0]=3 3259 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,2,0,0,0,0|1,0,0]=3 3260 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,2,0,0,0,0|1,0,1]=4 3261 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,2,0,0,0,0|1,0,1]=4 3262 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|0,0,2]=4 3263 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,2,0,0,0,0|2,0,0]=4 3264 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|0,0,2]=4 3265 B10R0.6 CCOCCC(=O)C[N+](=O)[O-] 1458a_100000749530_100000761209 [0,2,0,0,0,0|2,0,0]=4 3266 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,2,0,0,0,0|2,0,0]=4 3267 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,2,0,0,0,0|1,1,0]=4 3268 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,2,0,0,0,0|1,1,0]=4 3269 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,2,0,0,0,0|1,1,0]=4 3270 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,2,0,0,0,0|0,0,0]=2 3271 B10R0.6 COCC=CC(=O)CC(=O)N 1458a_100016285016_100000187820 [0,2,0,0,0,0|2,0,0]=4 3272 B10R0.6 COCC=CC(=O)CC(=O)[O-] 1458a_100016285016_100020667443 [0,2,0,0,0,0|2,0,0]=4 3273 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,2,0,0,0,0|2,0,0]=4 3274 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,2,0,0,0,0|2,0,0]=4 3275 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,2,0,0,0,0|2,0,0]=4 3276 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,2,0,0,0,0|1,0,0]=3 3277 B10R0.6 COCCNC(=O)CC(=O)N 240690a_100000209980_100134613110 [0,2,0,0,0,0|2,0,0]=4 3278 B10R0.6 COCCNC(=O)CC(=O)N 527a_100000209980_100134613110 [0,2,0,0,0,0|2,0,0]=4 3279 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,2,0,0,0,0|0,0,0]=2 3280 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,2,0,0,0,0|0,0,0]=2 3281 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,2,0,0,0,0|2,0,0]=4 3282 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,2,0,0,0,0|2,0,0]=4 3283 B10R0.6 COCSCC(=O)NC(=O)C 62a_100000766300_100000183797 [0,2,0,0,0,0|1,1,0]=4 3284 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|2,0,0]=4 3285 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|2,0,0]=4 3286 B10R0.6 CSCCNC(=O)CC(=O)N 240690a_100020590264_100134613110 [0,2,0,0,0,0|2,0,0]=4 3287 B10R0.6 CSCCNC(=O)CC(=O)N 527a_100020590264_100134613110 [0,2,0,0,0,0|2,0,0]=4 3288 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,2,0,0,0,0|0,0,0]=2 3289 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,2,0,0,0,0|0,0,0]=2 3290 B10R0.6 CSCCOC(=O)NC(=O)N 62a_200000210301_100000054987 [0,2,0,0,0,0|2,0,0]=4 3291 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [0,2,0,0,0,0|1,1,0]=4 3292 B10R0.6 N#CCCCC(=O)CC(=O)N 1458a_100000075515_100000187820 [0,2,0,0,0,0|2,0,0]=4 3293 B10R0.6 N#CCCCC(=O)CC(=O)N 1458a_100134613110_100000211468 [0,2,0,0,0,0|2,0,0]=4 3294 B10R0.6 N#CCCCC(=O)CC(=O)[O-] 1458a_100000075515_100020667443 [0,2,0,0,0,0|2,0,0]=4 3295 B10R0.6 N#CCCNC(=O)CC(=O)N 240690a_100000720768_100134613110 [0,2,0,0,0,0|2,0,0]=4 3296 B10R0.6 N#CCCNC(=O)CC(=O)N 527a_100000720768_100134613110 [0,2,0,0,0,0|2,0,0]=4 3297 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|2,0,0]=4 3298 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|2,0,0]=4 3299 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|2,0,0]=4 3300 B10R0.6 NC(=O)CC(=O)COCCO 1458a_100000708028_100000187820 [0,2,0,0,0,0|1,0,0]=3 3301 B10R0.6 NC(=O)CC(=O)NCCCF 240690a_100015189416_100134613110 [0,2,0,0,0,0|2,0,0]=4 3302 B10R0.6 NC(=O)CC(=O)NCCCF 527a_100015189416_100134613110 [0,2,0,0,0,0|2,0,0]=4 3303 B10R0.6 NC(=O)CC(=O)NCCCO 240690a_100000182051_100134613110 [0,2,0,0,0,0|2,0,0]=4 3304 B10R0.6 NC(=O)CC(=O)NCCCO 527a_100000182051_100134613110 [0,2,0,0,0,0|2,0,0]=4 3305 B10R0.6 NC(=O)CC(=O)NNCCO 22a_100000210001_100134613110 [0,2,0,0,0,0|2,0,0]=4 3306 B10R0.6 O=C(COCCO)C[N+](=O)[O-] 1458a_100000708028_100000761209 [0,2,0,0,0,0|2,0,0]=4 3307 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|2,0,0]=4 3308 B10R0.6 O=C([O-])CC(=O)COCCO 1458a_100000708028_100020667443 [0,2,0,0,0,0|1,0,0]=3 3309 B10R0.6 [13CH3]SCCOC(=O)NC(=O)N 62a_200025704644_100000054987 [0,2,0,0,0,0|2,0,0]=4 3310 B10R0.18 C#CC(=O)CC(=C)OCOC 1458a_100000211873_100000042856 [0,2,0,0,0,0|1,0,1]=4 3311 B10R0.18 C#CC(=O)CC(=O)NCCC 1458a_100000211873_100000183358 [0,2,0,0,0,0|1,0,1]=4 3312 B10R0.18 C#CC(=O)CC(=O)OCC=C 1458a_100000211873_100000033060 [0,2,0,0,0,0|0,0,2]=4 3313 B10R0.18 C#CC(=O)CC(=O)OCCC 1458a_100000211873_200011215008 [0,2,0,0,0,0|0,0,1]=3 3314 B10R0.18 C#CCCC(=O)CC(=O)CC 1458a_100000692101_100000747405 [0,2,0,0,0,0|1,0,1]=4 3315 B10R0.18 C#CCCC(=O)CC(=O)NC 1458a_100000692101_100000183359 [0,2,0,0,0,0|1,0,1]=4 3316 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [0,2,0,0,0,0|1,0,1]=4 3317 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [0,2,0,0,0,0|1,0,1]=4 3318 B10R0.18 C#CCNC(=O)CC(=O)OC 240690a_100000212058_100000211351 [0,2,0,0,0,0|1,0,1]=4 3319 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,2,0,0,0,0|1,0,1]=4 3320 B10R0.18 C=C(C#N)CC(=O)COCC 1458a_100000211967_100000694840 [0,2,0,0,0,0|1,0,1]=4 3321 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [0,2,0,0,0,0|1,0,0]=3 3322 B10R0.18 C=C(CC(=O)CO)OCOC 1458a_100000210174_100000042856 [0,2,0,0,0,0|1,0,0]=3 3323 B10R0.18 C=CC(=O)CC(=C)OCOC 1458a_100000185746_100000042856 [0,2,0,0,0,0|1,0,1]=4 3324 B10R0.18 C=CC(=O)CC(=O)NCCC 1458a_100000185746_100000183358 [0,2,0,0,0,0|1,0,1]=4 3325 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [0,2,0,0,0,0|0,0,1]=3 3326 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [0,2,0,0,0,0|1,0,1]=4 3327 B10R0.18 C=CCCC(=O)CC(=O)NC 1458a_100000749702_100000183359 [0,2,0,0,0,0|1,0,1]=4 3328 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,2,0,0,0,0|1,0,1]=4 3329 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,2,0,0,0,0|1,0,1]=4 3330 B10R0.18 C=CCNC(=O)CC(=O)CC 1458a_100000210414_100000183597 [0,2,0,0,0,0|1,0,1]=4 3331 B10R0.18 C=CCNC(=O)CC(=O)CO 1458a_100000210174_100000183597 [0,2,0,0,0,0|1,0,1]=4 3332 B10R0.18 C=CCNC(=O)CC(=O)OC 240690a_100020586998_100000211351 [0,2,0,0,0,0|1,0,1]=4 3333 B10R0.18 C=CCOC(=O)CC(=O)C=C 1458a_100000185746_100000033060 [0,2,0,0,0,0|0,0,2]=4 3334 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [0,2,0,0,0,0|0,0,1]=3 3335 B10R0.18 C=CCOC(=O)CC(=O)CO 1458a_100000210174_100000033060 [0,2,0,0,0,0|0,0,1]=3 3336 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [0,2,0,0,0,0|1,0,1]=4 3337 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [0,2,0,0,0,0|1,0,1]=4 3338 B10R0.18 CC=CCC(=O)CC(=O)NC 1458a_100121576822_100000183359 [0,2,0,0,0,0|1,0,1]=4 3339 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,2,0,0,0,0|1,0,1]=4 3340 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,2,0,0,0,0|1,0,1]=4 3341 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [0,2,0,0,0,0|1,0,0]=3 3342 B10R0.18 CCC#CC(=O)CC(=O)NC 1458a_100011827653_100000183359 [0,2,0,0,0,0|1,0,0]=3 3343 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [0,2,0,0,0,0|1,0,0]=3 3344 B10R0.18 CCC(=O)CC(=O)C#CCO 1458a_100000049017_100000747405 [0,2,0,0,0,0|1,0,1]=4 3345 B10R0.18 CCC(=O)CC(=O)C=COC 1458a_100016268678_100000747405 [0,2,0,0,0,0|1,0,1]=4 3346 B10R0.18 CCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747405 [0,2,0,0,0,0|1,0,1]=4 3347 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,2,0,0,0,0|1,0,0]=3 3348 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,2,0,0,0,0|1,0,0]=3 3349 B10R0.18 CCC(=O)CC(=O)NCC#N 1458a_100000210414_100000736037 [0,2,0,0,0,0|1,0,1]=4 3350 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,2,0,0,0,0|1,0,0]=3 3351 B10R0.18 CCC=CC(=O)CC(=O)NC 1458a_100000212282_100000183359 [0,2,0,0,0,0|1,0,0]=3 3352 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [0,2,0,0,0,0|1,0,0]=3 3353 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|1,0,0]=3 3354 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|1,0,0]=3 3355 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|1,0,0]=3 3356 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|1,0,0]=3 3357 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,2,0,0,0,0|1,0,0]=3 3358 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,2,0,0,0,0|1,0,0]=3 3359 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|1,0,0]=3 3360 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,2,0,0,0,0|0,0,0]=2 3361 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|0,0,0]=2 3362 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [0,2,0,0,0,0|2,0,0]=4 3363 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [0,2,0,0,0,0|2,0,0]=4 3364 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|1,0,1]=4 3365 B10R0.18 CCNN=C(C)CC(=O)OC 4a_100000756455_100000210079 [0,2,0,0,0,0|2,0,0]=4 3366 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [0,2,0,0,0,0|1,0,0]=3 3367 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,2,0,0,0,0|0,0,0]=2 3368 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,2,0,0,0,0|0,0,0]=2 3369 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|0,0,0]=2 3370 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [0,2,0,0,0,0|1,0,1]=4 3371 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [0,2,0,0,0,0|0,0,2]=4 3372 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [0,2,0,0,0,0|1,0,1]=4 3373 B10R0.18 CCOCC(=O)C[C@@H](C)CO 1458a_100000211967_100000059175 [0,2,0,0,0,0|0,0,2]=4 3374 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|0,0,2]=4 3375 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,2,0,0,0,0|0,1,0]=3 3376 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,2,0,0,0,0|0,1,0]=3 3377 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|0,1,0]=3 3378 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|0,1,0]=3 3379 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|0,1,0]=3 3380 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,2,0,0,0,0|1,1,0]=4 3381 B10R0.18 CNC(=O)CC(=O)C#CCO 1458a_100000049017_100000183359 [0,2,0,0,0,0|1,0,1]=4 3382 B10R0.18 CNC(=O)CC(=O)C=COC 1458a_100016268678_100000183359 [0,2,0,0,0,0|1,0,1]=4 3383 B10R0.18 CNC(=O)CC(=O)CCC#N 1458a_100011934036_100000183359 [0,2,0,0,0,0|1,0,1]=4 3384 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,2,0,0,0,0|1,0,0]=3 3385 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,2,0,0,0,0|1,0,0]=3 3386 B10R0.18 COC(=O)CC(=O)C#CCO 1458a_100000049017_100000747449 [0,2,0,0,0,0|1,0,1]=4 3387 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [0,2,0,0,0,0|1,0,1]=4 3388 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [0,2,0,0,0,0|1,0,1]=4 3389 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|1,0,0]=3 3390 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|1,0,0]=3 3391 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,0,0]=3 3392 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,0,0]=3 3393 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [0,2,0,0,0,0|1,1,0]=4 3394 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [0,2,0,0,0,0|1,1,0]=4 3395 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [0,2,0,0,0,0|1,0,0]=3 3396 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [0,2,0,0,0,0|1,0,0]=3 3397 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,2,0,0,0,0|1,0,1]=4 3398 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,2,0,0,0,0|1,0,1]=4 3399 B10R0.18 COC=CC(=O)CC(=O)OC 1458a_100016268678_100000747449 [0,2,0,0,0,0|1,0,1]=4 3400 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|1,0,0]=3 3401 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|1,0,0]=3 3402 B10R0.18 N#CCNC(=O)CC(=O)CO 1458a_100000210174_100000736037 [0,2,0,0,0,0|1,0,1]=4 3403 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200010999194_200025704644 [0,2,0,0,0,0|1,0,1]=4 3404 B10R0.28 CC(C)(C)CC(=O)OCS[13CH3] 62a_200025704644_200010999194 [0,2,0,0,0,0|1,0,1]=4 3405 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [0,2,0,0,0,0|2,0,0]=4 3406 B10R0.28 CCCNC(=O)CS(=O)(=O)C 11a_100020643023_100000744497 [0,2,0,0,0,0|2,0,0]=4 3407 B10R0.28 CCCNC(=O)CS(=O)(=O)C 240690a_100020643023_100000744497 [0,2,0,0,0,0|2,0,0]=4 3408 B10R0.28 CCCNC(=O)CS(=O)(=O)C 527a_100020643023_100000744497 [0,2,0,0,0,0|2,0,0]=4 3409 B10R0.28 CCNNC(=O)CS(=O)(=O)C 22a_100000756455_100000744497 [0,2,0,0,0,0|2,0,0]=4 3410 B10R0.28 CCOCC(=O)CS(=O)(=O)N 1458a_100000211967_100000741382 [0,2,0,0,0,0|2,0,0]=4 3411 B10R0.28 CCOCC(=O)CS(=O)(=O)[O-] 1458a_100000211967_100009817235 [0,2,0,0,0,0|2,0,0]=4 3412 B10R0.28 CCOCC(=O)C[Si](C)(C)C 1458a_100000211967_100000233785 [0,2,0,0,0,0|1,1,0]=4 3413 B10R0.28 CCOCC(=O)NS(=O)(=O)C 2740a_100000171171_100000211967 [0,2,0,0,0,0|2,0,0]=4 3414 B10R0.28 CNCOC(=O)CC(C)(C)C 2230a_106832991635_200010999194 [0,2,0,0,0,0|1,0,1]=4 3415 B10R0.28 CNCOC(=O)CC(C)(C)C 34a_100102657272_200010999194 [0,2,0,0,0,0|1,0,1]=4 3416 B10R0.28 CNCOC(=O)CC(C)(C)C 7a_106832991635_200010999194 [0,2,0,0,0,0|1,0,1]=4 3417 B10R0.28 COCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000233755 [0,2,0,0,0,0|2,0,0]=4 3418 B10R0.28 COCOC(=O)CC(C)(C)C 34a_100138415774_200010999194 [0,2,0,0,0,0|1,0,1]=4 3419 B10R0.28 CS(=O)(=O)CC(=O)CCCF 1458a_100000744497_100011934791 [0,2,0,0,0,0|2,0,0]=4 3420 B10R0.28 CS(=O)(=O)CC(=O)CCCO 1458a_100000744497_100011215043 [0,2,0,0,0,0|2,0,0]=4 3421 B10R0.28 CS(=O)(=O)CC(=O)NCCF 11a_100000724931_100000744497 [0,2,0,0,0,0|2,0,0]=4 3422 B10R0.28 CS(=O)(=O)CC(=O)NCCF 240690a_100000724931_100000744497 [0,2,0,0,0,0|2,0,0]=4 3423 B10R0.28 CS(=O)(=O)CC(=O)NCCF 527a_100000724931_100000744497 [0,2,0,0,0,0|2,0,0]=4 3424 B10R0.28 CS(=O)(=O)CC(=O)NCCO 240690a_100000210304_100000744497 [0,2,0,0,0,0|2,0,0]=4 3425 B10R0.28 CS(=O)(=O)CC(=O)NCCO 527a_100000210304_100000744497 [0,2,0,0,0,0|2,0,0]=4 3426 B10R0.28 CSCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000751147 [0,2,0,0,0,0|2,0,0]=4 3427 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200000210301_200010999194 [0,2,0,0,0,0|1,0,1]=4 3428 B10R0.28 CSCOC(=O)CC(C)(C)C 62a_200010999194_200000210301 [0,2,0,0,0,0|1,0,1]=4 3429 B10R0.44 C#CC(=O)CC(=O)NC(C)C 1458a_100000211873_100000183996 [0,2,0,0,0,0|1,0,1]=4 3430 B10R0.44 C#CC(=O)CC(=O)OC(C)C 1458a_100000211873_100011215430 [0,2,0,0,0,0|0,0,1]=3 3431 B10R0.44 C#CC(C)NC(=O)CC(=O)N 240690a_100000707721_100134613110 [0,2,0,0,0,0|2,0,0]=4 3432 B10R0.44 C#CC(C)NC(=O)CC(=O)N 527a_100000707721_100134613110 [0,2,0,0,0,0|2,0,0]=4 3433 B10R0.44 C=C(C)CC(=O)C=C(C)CC 1458a_100020758463_100000748629 [0,2,0,0,0,0|2,0,0]=4 3434 B10R0.44 C=C(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748629 [0,2,0,0,0,0|1,0,1]=4 3435 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,2,0,0,0,0|2,0,0]=4 3436 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,2,0,0,0,0|2,0,0]=4 3437 B10R0.44 C=C(C)CC(=O)CN(C)CC 1458a_100116209913_100000748629 [0,2,0,0,0,0|2,0,0]=4 3438 B10R0.44 C=CC(=O)CC(=O)NC(C)C 1458a_100000185746_100000183996 [0,2,0,0,0,0|1,0,1]=4 3439 B10R0.44 C=CC(=O)CC(=O)OC(C)C 1458a_100000185746_100011215430 [0,2,0,0,0,0|0,0,1]=3 3440 B10R0.44 C=CC(C)CC(=O)CC(=C)C 1458a_100011934298_100000748629 [0,2,0,0,0,0|2,0,0]=4 3441 B10R0.44 C=CC(C)CC(=O)CC(=O)N 1458a_100011934298_100000187820 [0,2,0,0,0,0|2,0,0]=4 3442 B10R0.44 C=CC(C)CC(=O)CC(=O)[O-] 1458a_100011934298_100020667443 [0,2,0,0,0,0|2,0,0]=4 3443 B10R0.44 CC(=O)NC(=O)CC(=O)CO 1458a_100000210174_100000183797 [0,2,0,0,0,0|1,0,1]=4 3444 B10R0.44 CC(C#N)NC(=O)CC(=O)N 527a_100000737613_100134613110 [0,2,0,0,0,0|2,0,0]=4 3445 B10R0.44 CC(C)NC(=O)CC(=O)CO 1458a_100000210174_100000183996 [0,2,0,0,0,0|1,0,0]=3 3446 B10R0.44 CC(C)OC(=O)CC(=O)CO 1458a_100000210174_100011215430 [0,2,0,0,0,0|0,0,0]=2 3447 B10R0.44 CCC(=CC(=O)CC(=O)N)C 1458a_100020758463_100000187820 [0,2,0,0,0,0|2,0,0]=4 3448 B10R0.44 CCC(=CC(=O)CC(=O)[O-])C 1458a_100020758463_100020667443 [0,2,0,0,0,0|2,0,0]=4 3449 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [0,2,0,0,0,0|1,0,1]=4 3450 B10R0.44 CCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747405 [0,2,0,0,0,0|1,0,1]=4 3451 B10R0.44 CCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747405 [0,2,0,0,0,0|1,0,1]=4 3452 B10R0.44 CCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747405 [0,2,0,0,0,0|2,0,0]=4 3453 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|1,0,0]=3 3454 B10R0.44 CCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747405 [0,2,0,0,0,0|2,0,0]=4 3455 B10R0.44 CCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747405 [0,2,0,0,0,0|1,0,0]=3 3456 B10R0.44 CCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747405 [0,2,0,0,0,0|2,0,0]=4 3457 B10R0.44 CCC(=O)CC(=O)NC(=O)C 1458a_100000210414_100000183797 [0,2,0,0,0,0|1,0,1]=4 3458 B10R0.44 CCC(=O)CC(=O)NC(C)C 1458a_100000210414_100000183996 [0,2,0,0,0,0|1,0,0]=3 3459 B10R0.44 CCC(=O)CC(=O)OC(C)C 1458a_100000210414_100011215430 [0,2,0,0,0,0|0,0,0]=2 3460 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,2,0,0,0,0|2,0,0]=4 3461 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,2,0,0,0,0|2,0,0]=4 3462 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,2,0,0,0,0|2,0,0]=4 3463 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,2,0,0,0,0|1,0,0]=3 3464 B10R0.44 CCC(C)NC(=O)CC(=O)N 240690a_100000209981_100134613110 [0,2,0,0,0,0|2,0,0]=4 3465 B10R0.44 CCC(C)NC(=O)CC(=O)N 527a_100000209981_100134613110 [0,2,0,0,0,0|2,0,0]=4 3466 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,2,0,0,0,0|2,0,0]=4 3467 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,2,0,0,0,0|2,0,0]=4 3468 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,2,0,0,0,0|2,0,0]=4 3469 B10R0.44 CCN(C)CC(=O)CC(=O)N 1458a_100116209913_100000187820 [0,2,0,0,0,0|2,0,0]=4 3470 B10R0.44 CCN(C)CC(=O)CC(=O)[O-] 1458a_100116209913_100020667443 [0,2,0,0,0,0|2,0,0]=4 3471 B10R0.44 CCN(C)CC(=O)NC(=O)C 269982a_100000225621_100000183797 [0,2,0,0,0,0|2,0,0]=4 3472 B10R0.44 CCN(C)CC(=O)OC(C)C 2230a_100000225621_100011215430 [0,2,0,0,0,0|2,0,0]=4 3473 B10R0.44 CCN(C)CC(=O)OC(C)C 269982a_100000225621_100011215430 [0,2,0,0,0,0|2,0,0]=4 3474 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,2,0,0,0,0|2,0,0]=4 3475 B10R0.44 CNC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000183359 [0,2,0,0,0,0|1,0,1]=4 3476 B10R0.44 CNC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000183359 [0,2,0,0,0,0|1,0,1]=4 3477 B10R0.44 CNC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000183359 [0,2,0,0,0,0|1,0,1]=4 3478 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,2,0,0,0,0|1,0,0]=3 3479 B10R0.44 CNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183359 [0,2,0,0,0,0|2,0,0]=4 3480 B10R0.44 CNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183359 [0,2,0,0,0,0|1,0,0]=3 3481 B10R0.44 CNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183359 [0,2,0,0,0,0|2,0,0]=4 3482 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,2,0,0,0,0|1,0,1]=4 3483 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [0,2,0,0,0,0|1,0,1]=4 3484 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [0,2,0,0,0,0|1,0,1]=4 3485 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|1,0,0]=3 3486 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|1,0,0]=3 3487 B10R0.44 COC(=O)CC(=O)CC(C)O 1458a_100000211351_100011218427 [0,2,0,0,0,0|1,0,0]=3 3488 B10R0.44 COC(=O)CC(=O)CC(F)F 1458a_100000211351_100011934356 [0,2,0,0,0,0|2,0,0]=4 3489 B10R0.44 COC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747449 [0,2,0,0,0,0|2,0,0]=4 3490 B10R0.44 COC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747449 [0,2,0,0,0,0|1,0,0]=3 3491 B10R0.44 COC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747449 [0,2,0,0,0,0|2,0,0]=4 3492 B10R0.44 COC(=O)CC(=O)NC(C)C 240690a_100138425928_100000211351 [0,2,0,0,0,0|1,0,0]=3 3493 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,2,0,0,0,0|1,0,1]=4 3494 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [0,2,0,0,0,0|1,0,1]=4 3495 B10R0.44 C[C@@H](CO)CC(=O)CC(=O)N 1458a_100134613110_100000059175 [0,2,0,0,0,0|2,0,0]=4 3496 B10R0.44 C[C@H](CF)NC(=O)CC(=O)N 240690a_100102880703_100134613110 [0,2,0,0,0,0|2,0,0]=4 3497 B10R0.44 C[C@H](CF)NC(=O)CC(=O)N 527a_100102880703_100134613110 [0,2,0,0,0,0|2,0,0]=4 3498 B10R0.44 C[C@H](CO)NC(=O)CC(=O)N 240690a_100000737577_100134613110 [0,2,0,0,0,0|2,0,0]=4 3499 B10R0.44 C[C@H](CO)NC(=O)CC(=O)N 527a_100000737577_100134613110 [0,2,0,0,0,0|2,0,0]=4 3500 B10R0.81 C#CCCC(=O)C(C)C(=O)C 1458a_100000692101_100000179758 [0,2,0,0,0,0|1,0,1]=4 3501 B10R0.81 C#CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000735948 [0,2,0,0,0,0|1,0,1]=4 3502 B10R0.81 C=CCCC(=O)C(C)C(=O)C 1458a_100000749702_100000179758 [0,2,0,0,0,0|1,0,1]=4 3503 B10R0.81 C=CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230288 [0,2,0,0,0,0|1,0,1]=4 3504 B10R0.81 CC(=O)C(C)C(=O)C#CCO 1458a_100000049017_100000179758 [0,2,0,0,0,0|1,0,1]=4 3505 B10R0.81 CC(=O)C(C)C(=O)CCC#N 1458a_100011934036_100000179758 [0,2,0,0,0,0|1,0,1]=4 3506 B10R0.81 CC=CCC(=O)C(C)C(=O)C 1458a_100121576822_100000179758 [0,2,0,0,0,0|1,0,1]=4 3507 B10R0.81 CCC#CC(=O)C(C)C(=O)C 1458a_100011827653_100000179758 [0,2,0,0,0,0|1,0,0]=3 3508 B10R0.81 CCC#CC(=O)C(C)C(=O)N 1458a_100011827653_100000702099 [0,2,0,0,0,0|2,0,0]=4 3509 B10R0.81 CCC#CC(=O)C(F)C(=O)N 1458a_100011827653_100009813875 [0,2,0,0,0,0|2,0,0]=4 3510 B10R0.81 CCC#CC(=O)C(F)C(=O)[O-] 1458a_100011827653_100020610796 [0,2,0,0,0,0|2,0,0]=4 3511 B10R0.81 CCC=CC(=O)C(C)C(=O)C 1458a_100000212282_100000179758 [0,2,0,0,0,0|1,0,0]=3 3512 B10R0.81 CCC=CC(=O)C(C)C(=O)N 1458a_100000212282_100000702099 [0,2,0,0,0,0|2,0,0]=4 3513 B10R0.81 CCC=CC(=O)C(F)C(=O)N 1458a_100000212282_100009813875 [0,2,0,0,0,0|2,0,0]=4 3514 B10R0.81 CCC=CC(=O)C(F)C(=O)[O-] 1458a_100000212282_100020610796 [0,2,0,0,0,0|2,0,0]=4 3515 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,2,0,0,0,0|1,0,0]=3 3516 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,2,0,0,0,0|2,0,0]=4 3517 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,2,0,0,0,0|2,0,0]=4 3518 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,2,0,0,0,0|2,0,0]=4 3519 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,2,0,0,0,0|1,0,0]=3 3520 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,2,0,0,0,0|0,0,0]=2 3521 B10R0.81 CCCOC(=O)C(C)N(C)C 2230a_100102631434_100000760410 [0,2,0,0,0,0|2,0,0]=4 3522 B10R0.81 CCCOC(=O)C(C)N(C)C 269982a_100102631434_100000760410 [0,2,0,0,0,0|2,0,0]=4 3523 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,2,0,0,0,0|0,0,0]=2 3524 B10R0.81 CCOCC(=O)C(C)C(=O)N 1458a_100000211967_100000702099 [0,2,0,0,0,0|1,0,0]=3 3525 B10R0.81 CCOCC(=O)C(F)C(=O)N 1458a_100000211967_100009813875 [0,2,0,0,0,0|1,0,0]=3 3526 B10R0.81 CCOCC(=O)C(F)C(=O)[O-] 1458a_100000211967_100020610796 [0,2,0,0,0,0|1,0,0]=3 3527 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,2,0,0,0,0|0,1,0]=3 3528 B10R0.81 CCSCC(=O)C(C)C(=O)N 1458a_100000230394_100000702099 [0,2,0,0,0,0|1,1,0]=4 3529 B10R0.81 CCSCC(=O)C(F)C(=O)N 1458a_100000230394_100009813875 [0,2,0,0,0,0|1,1,0]=4 3530 B10R0.81 CCSCC(=O)C(F)C(=O)[O-] 1458a_100000230394_100020610796 [0,2,0,0,0,0|1,1,0]=4 3531 B10R0.81 COC=CC(=O)C(C)C(=O)C 1458a_100016268678_100000179758 [0,2,0,0,0,0|1,0,1]=4 3532 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,2,0,0,0,0|1,0,0]=3 3533 B10R0.81 COCCC(=O)C(C)C(=O)N 1458a_100000749529_100000702099 [0,2,0,0,0,0|2,0,0]=4 3534 B10R0.81 COCCC(=O)C(F)C(=O)N 1458a_100000749529_100009813875 [0,2,0,0,0,0|2,0,0]=4 3535 B10R0.81 COCCC(=O)C(F)C(=O)[O-] 1458a_100000749529_100020610796 [0,2,0,0,0,0|2,0,0]=4 3536 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,2,0,0,0,0|1,0,0]=3 3537 B10R0.81 CSCCC(=O)C(C)C(=O)N 1458a_100000174002_100000702099 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.81 CSCCC(=O)C(F)C(=O)N 1458a_100000174002_100009813875 [0,2,0,0,0,0|2,0,0]=4 3539 B10R0.81 CSCCC(=O)C(F)C(=O)[O-] 1458a_100000174002_100020610796 [0,2,0,0,0,0|2,0,0]=4 3540 B10R0.122 CC(=O)CC(C)(C)OCCF 7a_100000210262_100011217306 [0,2,0,0,0,0|1,0,1]=4 3541 B10R0.122 CC(=O)CC(C)(C)OCCO 7a_100000210262_100000211926 [0,2,0,0,0,0|1,0,1]=4 3542 B10R0.122 CCCOC(C)(C)CC(=O)C 7a_100000210262_100000210303 [0,2,0,0,0,0|1,0,1]=4 3543 B10R0.13 C=C(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748629 [0,2,0,0,0,0|2,0,0]=4 3544 B10R0.13 C=C(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748629 [0,2,0,0,0,0|2,0,0]=4 3545 B10R0.13 CC(=O)C(C)C(=O)C=C(C)C 1458a_100000211388_100000179758 [0,2,0,0,0,0|1,0,1]=4 3546 B10R0.13 CC(=O)C(C)C(=O)C=C(C)Cl 1458a_200042562850_100000179758 [0,2,0,0,0,0|1,0,1]=4 3547 B10R0.13 CC(=O)C(C)C(=O)C=C(C)I 1458a_100025716642_100000179758 [0,2,0,0,0,0|1,0,1]=4 3548 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,2,0,0,0,0|1,0,0]=3 3549 B10R0.13 CC(=O)C(C)C(=O)CN(C)C 1458a_100000750896_100000179758 [0,2,0,0,0,0|2,0,0]=4 3550 B10R0.13 CC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000179758 [0,2,0,0,0,0|1,0,0]=3 3551 B10R0.13 CC(=O)C(C)C(=O)C[S+](C)C 1458a_200159257847_100000179758 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.13 CC(=O)C(C)C(=O)NC(C)C 1458a_100000070787_100000195394 [0,2,0,0,0,0|1,0,0]=3 3553 B10R0.13 CC(=O)CC(=O)N(C)C(C)C 1458a_100000070787_100000230190 [0,2,0,0,0,0|1,0,0]=3 3554 B10R0.13 CC(C(=O)N)C(=O)C[C@@H](C)O 1458a_100011933948_100000702099 [0,2,0,0,0,0|2,0,0]=4 3555 B10R0.13 CC(C)C(C)C(=O)CC(=O)N 1458a_100000755409_100000187820 [0,2,0,0,0,0|2,0,0]=4 3556 B10R0.13 CC(C)C(C)C(=O)CC(=O)[O-] 1458a_100000755409_100020667443 [0,2,0,0,0,0|2,0,0]=4 3557 B10R0.13 CC(C)CC(=O)C(C)C(=O)N 1458a_100000210554_100000702099 [0,2,0,0,0,0|2,0,0]=4 3558 B10R0.13 CC(C)CC(=O)C(F)C(=O)N 1458a_100000210554_100009813875 [0,2,0,0,0,0|2,0,0]=4 3559 B10R0.13 CC(C)CC(=O)C(F)C(=O)[O-] 1458a_100000210554_100020610796 [0,2,0,0,0,0|2,0,0]=4 3560 B10R0.13 CC(C)N(C)C(=O)CC(=O)N 240690a_200000211004_100134613110 [0,2,0,0,0,0|2,0,0]=4 3561 B10R0.13 CC(C)N(C)C(=O)CC(=O)N 527a_200000211004_100134613110 [0,2,0,0,0,0|2,0,0]=4 3562 B10R0.13 CC(C)[C@@H](O)C(=O)CC(=O)N 1458a_100000691806_100000187820 [0,2,0,0,0,0|2,0,0]=4 3563 B10R0.13 CC(C)[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000691806_100020667443 [0,2,0,0,0,0|2,0,0]=4 3564 B10R0.13 C[C@@H](O)CC(=O)C(F)C(=O)N 1458a_100011933948_100009813875 [0,2,0,0,0,0|2,0,0]=4 3565 B10R0.13 C[C@@H](O)CC(=O)C(F)C(=O)[O-] 1458a_100011933948_100020610796 [0,2,0,0,0,0|2,0,0]=4 3566 B10R0.35 C#CC(=O)C(C)C(=O)NCC 1458a_100000211873_100000230173 [0,2,0,0,0,0|1,0,1]=4 3567 B10R0.35 C#CC(=O)C(C)C(=O)OCC 1458a_100000211873_100011216346 [0,2,0,0,0,0|0,0,1]=3 3568 B10R0.35 C#CC(=O)C(F)C(=O)OCC 1458a_100000211873_100000760018 [0,2,0,0,0,0|0,0,1]=3 3569 B10R0.35 C=CC(=O)C(C)C(=O)NCC 1458a_100000185746_100000230173 [0,2,0,0,0,0|1,0,1]=4 3570 B10R0.35 C=CC(=O)C(C)C(=O)OCC 1458a_100000185746_100011216346 [0,2,0,0,0,0|0,0,1]=3 3571 B10R0.35 C=CC(=O)C(F)C(=O)OCC 1458a_100000185746_100000760018 [0,2,0,0,0,0|0,0,1]=3 3572 B10R0.35 CC#CC(=O)C(C)C(=O)CC 1458a_100000763181_100000742827 [0,2,0,0,0,0|1,0,1]=4 3573 B10R0.35 CC#CC(=O)C(C)C(=O)NC 1458a_100000763181_100000209862 [0,2,0,0,0,0|1,0,1]=4 3574 B10R0.35 CC#CC(=O)C(C)C(=O)OC 1458a_100000763181_100000211248 [0,2,0,0,0,0|1,0,1]=4 3575 B10R0.35 CC#CC(=O)C(F)C(=O)NC 1458a_100000763181_100009813575 [0,2,0,0,0,0|1,0,1]=4 3576 B10R0.35 CC=CC(=O)C(C)C(=O)CC 1458a_100000210699_100000742827 [0,2,0,0,0,0|1,0,1]=4 3577 B10R0.35 CC=CC(=O)C(C)C(=O)NC 1458a_100000210699_100000209862 [0,2,0,0,0,0|1,0,1]=4 3578 B10R0.35 CC=CC(=O)C(C)C(=O)OC 1458a_100000210699_100000211248 [0,2,0,0,0,0|1,0,1]=4 3579 B10R0.35 CC=CC(=O)C(F)C(=O)NC 1458a_100000210699_100009813575 [0,2,0,0,0,0|1,0,1]=4 3580 B10R0.35 CCC(=O)C(C)C(=O)CCO 1458a_100011216618_100000742827 [0,2,0,0,0,0|2,0,0]=4 3581 B10R0.35 CCC(=O)C(C)C(=O)COC 1458a_100000210968_100000742827 [0,2,0,0,0,0|2,0,0]=4 3582 B10R0.35 CCC(=O)C(C)C(=O)CSC 1458a_100000184570_100000742827 [0,2,0,0,0,0|2,0,0]=4 3583 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,2,0,0,0,0|1,0,0]=3 3584 B10R0.35 CCCC(=O)C(C)C(=O)NC 1458a_100000211992_100000209862 [0,2,0,0,0,0|1,0,0]=3 3585 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [0,2,0,0,0,0|1,0,0]=3 3586 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [0,2,0,0,0,0|1,0,0]=3 3587 B10R0.35 CCCC(=O)C(F)C(=O)NC 1458a_100000211992_100009813575 [0,2,0,0,0,0|1,0,0]=3 3588 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [0,2,0,0,0,0|1,0,0]=3 3589 B10R0.35 CCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000230173 [0,2,0,0,0,0|1,0,0]=3 3590 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [0,2,0,0,0,0|1,0,0]=3 3591 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [0,2,0,0,0,0|1,0,0]=3 3592 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [0,2,0,0,0,0|1,0,0]=3 3593 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [0,2,0,0,0,0|0,0,0]=2 3594 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [0,2,0,0,0,0|0,0,0]=2 3595 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [0,2,0,0,0,0|0,0,0]=2 3596 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [0,2,0,0,0,0|0,0,0]=2 3597 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [0,2,0,0,0,0|0,0,0]=2 3598 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [0,2,0,0,0,0|0,0,0]=2 3599 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [0,2,0,0,0,0|0,0,0]=2 3600 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [0,2,0,0,0,0|0,0,0]=2 3601 B10R0.35 CCOC(=O)C(C)N(C)CC 2230a_100000225621_100011215307 [0,2,0,0,0,0|2,0,0]=4 3602 B10R0.35 CCOC(=O)C(C)N(C)CC 269982a_100000225621_100011216346 [0,2,0,0,0,0|2,0,0]=4 3603 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [0,2,0,0,0,0|0,0,0]=2 3604 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [0,2,0,0,0,0|0,0,0]=2 3605 B10R0.35 CCOC(=O)C(F)N(C)CC 2230a_100000225621_100000760018 [0,2,0,0,0,0|2,0,0]=4 3606 B10R0.35 CCOC(=O)C(F)N(C)CC 269982a_100000225621_100000760018 [0,2,0,0,0,0|2,0,0]=4 3607 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000210202 [0,2,0,0,0,0|1,0,1]=4 3608 B10R0.35 CCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210202 [0,2,0,0,0,0|1,0,1]=4 3609 B10R0.35 CNC(=O)C(C)C(=O)CCO 1458a_100011216618_100000209862 [0,2,0,0,0,0|2,0,0]=4 3610 B10R0.35 CNC(=O)C(C)C(=O)COC 1458a_100000210968_100000209862 [0,2,0,0,0,0|2,0,0]=4 3611 B10R0.35 CNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000209862 [0,2,0,0,0,0|2,0,0]=4 3612 B10R0.35 CNC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813575 [0,2,0,0,0,0|2,0,0]=4 3613 B10R0.35 CNC(=O)C(F)C(=O)COC 1458a_100000210968_100009813575 [0,2,0,0,0,0|2,0,0]=4 3614 B10R0.35 CNC(=O)C(F)C(=O)CSC 1458a_100000184570_100009813575 [0,2,0,0,0,0|2,0,0]=4 3615 B10R0.35 CNNC(=O)C(C)C(=O)OC 22a_100016993582_100012027023 [0,2,0,0,0,0|2,0,0]=4 3616 B10R0.35 COC(=O)C(C)C(=O)CCF 1458a_100012027023_100011217306 [0,2,0,0,0,0|2,0,0]=4 3617 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100011216618_100000211248 [0,2,0,0,0,0|2,0,0]=4 3618 B10R0.35 COC(=O)C(C)C(=O)CCO 1458a_100012027023_100000211926 [0,2,0,0,0,0|2,0,0]=4 3619 B10R0.35 COC(=O)C(C)C(=O)CSC 1458a_100000184570_100000211248 [0,2,0,0,0,0|2,0,0]=4 3620 B10R0.35 COCC(=O)C(C)C(=O)OC 1458a_100000210968_100000211248 [0,2,0,0,0,0|2,0,0]=4 3621 B10R0.36 CCCC(=O)C(F)(F)C(=O)N 1458a_100000211992_100009811971 [0,2,0,0,0,0|2,0,0]=4 3622 B10R0.36 CCOC(=O)C(C)(C)C(=O)C 1458a_100000694683_200000210301 [0,2,0,0,0,0|0,0,0]=2 3623 B10R0.36 CCOC(=O)C(C)(C)C(=O)[13CH3] 1458a_100000694683_200025704644 [0,2,0,0,0,0|0,0,0]=2 3624 B10R0.36 CCOC(=O)C(C)(C)N(C)C 2230a_100102631434_100011216345 [0,2,0,0,0,0|2,0,0]=4 3625 B10R0.36 CCOC(=O)C(C)(C)N(C)C 269982a_100102631434_100048669870 [0,2,0,0,0,0|2,0,0]=4 3626 B10R0.36 CCOC(=O)C(C)(O)C(=O)C 1458a_200009913003_200000210301 [0,2,0,0,0,0|0,0,0]=2 3627 B10R0.36 CCOC(=O)C(C)(O)C(=O)[13CH3] 1458a_200009913003_200025704644 [0,2,0,0,0,0|0,0,0]=2 3628 B10R0.36 CCOC(=O)C(F)(F)N(C)C 269982a_100102631434_100000210910 [0,2,0,0,0,0|2,0,0]=4 3629 B10R0.56 C/C=C(\C)/C(=O)C(C)C(=O)C 1458a_100020587367_100000179758 [0,2,0,0,0,0|1,0,1]=4 3630 B10R0.56 CC(=O)C(C)C(=O)C(O)CO 1458a_100011215603_100000179758 [0,2,0,0,0,0|2,0,0]=4 3631 B10R0.56 CCC(C)C(=O)C(C)C(=O)C 1458a_100011192722_100000179758 [0,2,0,0,0,0|1,0,0]=3 3632 B10R0.56 CCC(C)C(=O)C(C)C(=O)N 1458a_100011192722_100000702099 [0,2,0,0,0,0|2,0,0]=4 3633 B10R0.56 CCC(C)C(=O)C(F)C(=O)N 1458a_100011192722_100009813875 [0,2,0,0,0,0|2,0,0]=4 3634 B10R0.56 CCC(C)C(=O)C(F)C(=O)[O-] 1458a_100011192722_100020610796 [0,2,0,0,0,0|2,0,0]=4 3635 B10R0.56 CCC(O)C(=O)C(C)C(=O)C 1458a_100011196387_100000179758 [0,2,0,0,0,0|1,0,0]=3 3636 B10R0.56 CCC(O)C(=O)C(C)C(=O)N 1458a_100011196387_100000702099 [0,2,0,0,0,0|2,0,0]=4 3637 B10R0.56 CCC(O)C(=O)C(F)C(=O)N 1458a_100011196387_100009813875 [0,2,0,0,0,0|2,0,0]=4 3638 B10R0.56 CCC(O)C(=O)C(F)C(=O)[O-] 1458a_100011196387_100020610796 [0,2,0,0,0,0|2,0,0]=4 3639 B10R0.56 CCN(C)C(=O)C(C)C(=O)C 1458a_100000070787_200012002205 [0,2,0,0,0,0|1,0,0]=3 3640 B10R0.56 CNC(=O)C(=O)C(C)C(=O)C 1458a_100011218921_100000179758 [0,2,0,0,0,0|2,0,0]=4 3641 B10R0.56 COC(C)C(=O)C(C)C(=O)C 1458a_100000743197_100000179758 [0,2,0,0,0,0|2,0,0]=4 3642 B10R0.56 CSC(C)C(=O)C(C)C(=O)C 1458a_100000149566_100000179758 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.101 CCCC(=O)C(CC)C(=O)N 1458a_100000211992_100000750255 [0,2,0,0,0,0|2,0,0]=4 3644 B10R0.101 CCOC(=O)C(CC)C(=O)C 1458a_100000070787_100000212269 [0,2,0,0,0,0|0,0,0]=2 3645 B10R0.101 CCOC(=O)C(CC)N(C)C 2230a_100102631434_100000212269 [0,2,0,0,0,0|2,0,0]=4 3646 B10R0.101 CCOC(=O)C(CC)N(C)C 269982a_100102631434_100000212269 [0,2,0,0,0,0|2,0,0]=4 3647 B10R0.101 CCOC(=O)C(NC)C(=O)C 34a_100102657272_100009831564 [0,2,0,0,0,0|0,0,0]=2 3648 B10R0.101 CCOC(=O)C(NC)C(C)C 34a_100102657272_100000740032 [0,2,0,0,0,0|1,0,1]=4 3649 B10R0.101 CCOC(=O)C(NC)C(C)C 7a_106832991635_100000740032 [0,2,0,0,0,0|1,0,1]=4 3650 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,2,0,0,0,0|0,0,0]=2 3651 B10R0.101 CCOC(=O)C(OC)C(C)C 34a_100138415774_100000740032 [0,2,0,0,0,0|1,0,1]=4 3652 B10R0.101 CCOC(=O)C(SC)C(=O)C 1458a_100000070787_100009893047 [0,2,0,0,0,0|0,0,0]=2 3653 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_100000211040_200000210301 [0,2,0,0,0,0|0,0,0]=2 3654 B10R0.101 CCOC(=O)C(SC)C(=O)C 62a_200000210301_100000211040 [0,2,0,0,0,0|0,0,0]=2 3655 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_100000740032_200000210301 [0,2,0,0,0,0|1,0,1]=4 3656 B10R0.101 CCOC(=O)C(SC)C(C)C 62a_200000210301_100000740032 [0,2,0,0,0,0|1,0,1]=4 3657 B10R0.101 CCOC(=O)C(SC)N(C)C 269982a_100102631434_100009893047 [0,2,0,0,0,0|2,0,0]=4 3658 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_100000211040_200025704644 [0,2,0,0,0,0|0,0,0]=2 3659 B10R0.101 CCOC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000211040 [0,2,0,0,0,0|0,0,0]=2 3660 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_100000740032_200025704644 [0,2,0,0,0,0|1,0,1]=4 3661 B10R0.101 CCOC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000740032 [0,2,0,0,0,0|1,0,1]=4 3662 B10R0.29 CCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210202 [0,2,0,0,0,0|1,0,1]=4 3663 B10R0.29 CCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210202 [0,2,0,0,0,0|1,0,1]=4 3664 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000070787_100000210512 [0,2,0,0,0,0|0,0,2]=4 3665 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000082722_200000210301 [0,2,0,0,0,0|0,0,2]=4 3666 B10R0.79 CCOC(CC(=O)[13CH3])OCC 1458a_100000082722_200025704644 [0,2,0,0,0,0|0,0,2]=4 3667 B10R0.37 CCC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000758301 [0,2,0,0,0,0|2,0,0]=4 3668 B10R0.37 CCN(C)C(=O)CS(=O)(=O)C 11a_100000225621_100000744497 [0,2,0,0,0,0|2,0,0]=4 3669 B10R0.37 CCN(C)C(=O)CS(=O)(=O)C 240690a_100000225621_100000744497 [0,2,0,0,0,0|2,0,0]=4 3670 B10R0.37 CCN(C)C(=O)CS(=O)(=O)C 527a_100000225621_100000744497 [0,2,0,0,0,0|2,0,0]=4 3671 B10R0.46 C#CC(=O)CC(=O)N(C)CC 1458a_100000211873_100011894763 [0,2,0,0,0,0|1,0,1]=4 3672 B10R0.46 C/C=C(\C)/C(=O)CC(=O)CC 1458a_100020587367_100000747405 [0,2,0,0,0,0|1,0,1]=4 3673 B10R0.46 C/C=C(\C)/C(=O)CC(=O)NC 1458a_100020587367_100000183359 [0,2,0,0,0,0|1,0,1]=4 3674 B10R0.46 C/C=C(\C)/C(=O)CC(=O)OC 1458a_100020587367_100000747449 [0,2,0,0,0,0|1,0,1]=4 3675 B10R0.46 C=CC(=O)CC(=O)N(C)CC 1458a_100000185746_100011894763 [0,2,0,0,0,0|1,0,1]=4 3676 B10R0.46 CCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747405 [0,2,0,0,0,0|2,0,0]=4 3677 B10R0.46 CCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747405 [0,2,0,0,0,0|1,0,0]=3 3678 B10R0.46 CCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747405 [0,2,0,0,0,0|2,0,0]=4 3679 B10R0.46 CCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747405 [0,2,0,0,0,0|2,0,0]=4 3680 B10R0.46 CCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747405 [0,2,0,0,0,0|1,0,0]=3 3681 B10R0.46 CCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747405 [0,2,0,0,0,0|2,0,0]=4 3682 B10R0.46 CCC(=O)CC(=O)N(C)CC 1458a_100000210414_100011894763 [0,2,0,0,0,0|1,0,0]=3 3683 B10R0.46 CCC(=O)CC(=O)N(C)OC 1458a_100000210414_100000764215 [0,2,0,0,0,0|2,0,0]=4 3684 B10R0.46 CCC(C)C(=O)CC(=O)NC 1458a_100011192722_100000183359 [0,2,0,0,0,0|1,0,0]=3 3685 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,2,0,0,0,0|1,0,0]=3 3686 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,2,0,0,0,0|1,0,0]=3 3687 B10R0.46 CCC(O)C(=O)CC(=O)NC 1458a_100011196387_100000183359 [0,2,0,0,0,0|1,0,0]=3 3688 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [0,2,0,0,0,0|1,0,0]=3 3689 B10R0.46 CCN(C)C(=O)CC(=O)CO 1458a_100000210174_100011894763 [0,2,0,0,0,0|1,0,0]=3 3690 B10R0.46 CCN(C)C(=O)CC(=O)OC 240690a_100000225621_100000211351 [0,2,0,0,0,0|1,0,0]=3 3691 B10R0.46 CNC(=O)C(=O)CC(=O)OC 1458a_100011218921_100000747449 [0,2,0,0,0,0|2,0,0]=4 3692 B10R0.46 CNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000183359 [0,2,0,0,0,0|2,0,0]=4 3693 B10R0.46 CNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183359 [0,2,0,0,0,0|2,0,0]=4 3694 B10R0.46 CNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183359 [0,2,0,0,0,0|2,0,0]=4 3695 B10R0.46 CNC(=O)CC(=O)C(O)CO 1458a_100011215603_100000183359 [0,2,0,0,0,0|2,0,0]=4 3696 B10R0.46 COC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747449 [0,2,0,0,0,0|2,0,0]=4 3697 B10R0.46 COC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747449 [0,2,0,0,0,0|2,0,0]=4 3698 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_100009997173_200000210301 [0,2,0,0,0,0|2,0,0]=4 3699 B10R0.46 COC(=O)CC(=O)C(C)SC 62a_200000210301_100009997173 [0,2,0,0,0,0|2,0,0]=4 3700 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_100009997173_200025704644 [0,2,0,0,0,0|2,0,0]=4 3701 B10R0.46 COC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100009997173 [0,2,0,0,0,0|2,0,0]=4 3702 B10R0.46 COC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747449 [0,2,0,0,0,0|2,0,0]=4 3703 B10R0.46 CON(C)C(=O)CC(=O)CO 1458a_100000210174_100000764215 [0,2,0,0,0,0|2,0,0]=4 3704 B10R0.63 C=C(C)CC(=O)C(C)(C)CC 1458a_100000749717_100000748629 [0,2,0,0,0,0|2,0,0]=4 3705 B10R0.63 C=C(C)CC(=O)C(C)(O)CC 1458a_100011219770_100000748629 [0,2,0,0,0,0|2,0,0]=4 3706 B10R0.63 C=C(C)CC(=O)C(F)(F)CC 1458a_100000061896_100000748629 [0,2,0,0,0,0|2,0,0]=4 3707 B10R0.63 CC(=O)CC(=O)C(F)(F)S[13CH3] 62a_100000042429_200025704644 [0,2,0,0,0,0|2,0,0]=4 3708 B10R0.63 CC(=O)CC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000042429 [0,2,0,0,0,0|2,0,0]=4 3709 B10R0.63 CCC(C)(C)C(=O)CC(=O)N 1458a_100000749717_100000187820 [0,2,0,0,0,0|2,0,0]=4 3710 B10R0.63 CCC(C)(C)C(=O)CC(=O)[O-] 1458a_100000749717_100020667443 [0,2,0,0,0,0|2,0,0]=4 3711 B10R0.63 CCC(C)(O)C(=O)CC(=O)N 1458a_100011219770_100000187820 [0,2,0,0,0,0|2,0,0]=4 3712 B10R0.63 CCC(C)(O)C(=O)CC(=O)[O-] 1458a_100011219770_100020667443 [0,2,0,0,0,0|2,0,0]=4 3713 B10R0.63 CCC(F)(F)C(=O)CC(=O)N 1458a_100000061896_100000187820 [0,2,0,0,0,0|2,0,0]=4 3714 B10R0.63 CCC(F)(F)C(=O)CC(=O)[O-] 1458a_100000061896_100020667443 [0,2,0,0,0,0|2,0,0]=4 3715 B10R0.63 CSC(F)(F)C(=O)CC(=O)C 62a_100000042429_200000210301 [0,2,0,0,0,0|2,0,0]=4 3716 B10R0.63 CSC(F)(F)C(=O)CC(=O)C 62a_200000210301_100000042429 [0,2,0,0,0,0|2,0,0]=4 3717 B10R0.144 C=C(C)CC(=O)C(CC)CC 1458a_100000211163_100000748629 [0,2,0,0,0,0|2,0,0]=4 3718 B10R0.144 C=C(C)CC(=O)C(CC)OC 1458a_100000747056_100000748629 [0,2,0,0,0,0|2,0,0]=4 3719 B10R0.144 CCC(CC)C(=O)CC(=O)N 1458a_100000211163_100000187820 [0,2,0,0,0,0|2,0,0]=4 3720 B10R0.144 CCC(CC)C(=O)CC(=O)N 1458a_100134613110_100000210505 [0,2,0,0,0,0|2,0,0]=4 3721 B10R0.144 CCC(CC)C(=O)CC(=O)[O-] 1458a_100000211163_100020667443 [0,2,0,0,0,0|2,0,0]=4 3722 B10R0.144 CCC(OC)C(=O)CC(=O)N 1458a_100000747056_100000187820 [0,2,0,0,0,0|2,0,0]=4 3723 B10R0.144 CCC(OC)C(=O)CC(=O)[O-] 1458a_100000747056_100020667443 [0,2,0,0,0,0|2,0,0]=4 3724 B10R0.144 CCN(CC)C(=O)CC(=O)C 1458a_100000070787_100000211521 [0,2,0,0,0,0|1,0,0]=3 3725 B10R0.144 CCN(CC)C(=O)CC(=O)N 240690a_100000724800_100134613110 [0,2,0,0,0,0|2,0,0]=4 3726 B10R0.144 CCN(CC)C(=O)CC(=O)N 527a_100000724800_100134613110 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.2 C#CCC(=O)CC(=C)CCC 1458a_100000138376_100000184674 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.2 C#CCC(=O)CC(=O)CCC 1458a_100011220946_100000747444 [0,2,0,0,0,0|1,0,0]=3 3729 B10R0.2 C#CCC(=O)CC(=O)NCC 1458a_100011220946_100000183381 [0,2,0,0,0,0|1,0,0]=3 3730 B10R0.2 C#CCC(=O)CC(=O)NCO 1458a_100011220946_100000185155 [0,2,0,0,0,0|2,0,0]=4 3731 B10R0.2 C#CCC(=O)CC(=O)OC=C 1458a_100011220946_100000036128 [0,2,0,0,0,0|0,0,2]=4 3732 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,2,0,0,0,0|0,0,0]=2 3733 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,2,0,0,0,0|0,0,0]=2 3734 B10R0.2 C#CCC(=O)CS(=O)CCC 1458a_100011387404_100000184674 [0,2,0,0,0,0|2,0,0]=4 3735 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,2,0,0,0,0|2,0,0]=4 3736 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,2,0,0,0,0|2,0,0]=4 3737 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,2,0,0,0,0|2,0,0]=4 3738 B10R0.2 C=C(CCC)CC(=O)CC#N 1458a_100000138376_100011214920 [0,2,0,0,0,0|2,0,0]=4 3739 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,2,0,0,0,0|2,0,0]=4 3740 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,2,0,0,0,0|2,0,0]=4 3741 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,2,0,0,0,0|2,0,0]=4 3742 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 3743 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 3744 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,2,0,0,0,0|2,0,0]=4 3745 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,2,0,0,0,0|2,0,0]=4 3746 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [0,2,0,0,0,0|2,0,0]=4 3747 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,2,0,0,0,0|1,0,0]=3 3748 B10R0.2 C=CCC(=O)CC(=O)NCC 1458a_100000210193_100000183381 [0,2,0,0,0,0|1,0,0]=3 3749 B10R0.2 C=CCC(=O)CC(=O)NCO 1458a_100000210193_100000185155 [0,2,0,0,0,0|2,0,0]=4 3750 B10R0.2 C=CCC(=O)CC(=O)OC=C 1458a_100000210193_100000036128 [0,2,0,0,0,0|0,0,2]=4 3751 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,2,0,0,0,0|0,0,0]=2 3752 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,2,0,0,0,0|0,0,0]=2 3753 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [0,2,0,0,0,0|2,0,0]=4 3754 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,2,0,0,0,0|2,0,0]=4 3756 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,2,0,0,0,0|2,0,0]=4 3757 B10R0.2 C=COC(=O)CC(=O)C#CC 1458a_100000763181_100000036128 [0,2,0,0,0,0|0,0,2]=4 3758 B10R0.2 C=COC(=O)CC(=O)C=CC 1458a_100000210699_100000036128 [0,2,0,0,0,0|0,0,2]=4 3759 B10R0.2 C=COC(=O)CC(=O)CC#N 1458a_100051588842_100000036128 [0,2,0,0,0,0|0,0,2]=4 3760 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,2,0,0,0,0|0,0,2]=4 3761 B10R0.2 C=COC(=O)CC(=O)CCO 1458a_100011216618_100000036128 [0,2,0,0,0,0|0,0,2]=4 3762 B10R0.2 C=COC(=O)CC(=O)COC 1458a_100000210968_100000036128 [0,2,0,0,0,0|0,0,2]=4 3763 B10R0.2 C=COC(=O)CC(=O)CSC 1458a_100000184570_100000036128 [0,2,0,0,0,0|0,0,2]=4 3764 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,2,0,0,0,0|1,0,0]=3 3765 B10R0.2 CC#CC(=O)CC(=O)NCC 1458a_100000763181_100000183381 [0,2,0,0,0,0|1,0,0]=3 3766 B10R0.2 CC#CC(=O)CC(=O)NCO 1458a_100000763181_100000185155 [0,2,0,0,0,0|1,0,1]=4 3767 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,2,0,0,0,0|0,0,0]=2 3768 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,2,0,0,0,0|1,0,0]=3 3769 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,2,0,0,0,0|1,0,0]=3 3770 B10R0.2 CC=CC(=O)CC(=O)NCO 1458a_100000210699_100000185155 [0,2,0,0,0,0|1,0,1]=4 3771 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,2,0,0,0,0|0,0,0]=2 3772 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,2,0,0,0,0|1,0,1]=4 3773 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,2,0,0,0,0|1,0,1]=4 3774 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,2,0,0,0,0|1,0,1]=4 3775 B10R0.2 CCCC(=O)CC(=O)CC#N 1458a_100051588842_100000747444 [0,2,0,0,0,0|1,0,0]=3 3776 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,2,0,0,0,0|1,0,0]=3 3777 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,2,0,0,0,0|1,0,0]=3 3778 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,2,0,0,0,0|1,0,0]=3 3779 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,2,0,0,0,0|1,0,0]=3 3780 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,2,0,0,0,0|1,0,0]=3 3781 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,2,0,0,0,0|1,0,0]=3 3782 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,2,0,0,0,0|0,0,0]=2 3783 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,2,0,0,0,0|0,0,0]=2 3784 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,2,0,0,0,0|2,0,0]=4 3785 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,2,0,0,0,0|2,0,0]=4 3786 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,2,0,0,0,0|2,0,0]=4 3787 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,2,0,0,0,0|2,0,0]=4 3789 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,2,0,0,0,0|2,0,0]=4 3791 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,2,0,0,0,0|2,0,0]=4 3792 B10R0.2 CCCS(=O)CC(=O)CC#N 1458a_100011387404_100011214920 [0,2,0,0,0,0|2,0,0]=4 3793 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,2,0,0,0,0|2,0,0]=4 3794 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,2,0,0,0,0|2,0,0]=4 3795 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 3796 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,2,0,0,0,0|2,0,0]=4 3798 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,2,0,0,0,0|2,0,0]=4 3799 B10R0.2 CCNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183381 [0,2,0,0,0,0|1,0,1]=4 3800 B10R0.2 CCNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183381 [0,2,0,0,0,0|1,0,1]=4 3801 B10R0.2 CCNC(=O)CC(=O)C=CI 1458a_100016256311_100000183381 [0,2,0,0,0,0|1,0,1]=4 3802 B10R0.2 CCNC(=O)CC(=O)CC#N 1458a_100051588842_100000183381 [0,2,0,0,0,0|1,0,0]=3 3803 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,2,0,0,0,0|1,0,0]=3 3804 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,2,0,0,0,0|1,0,0]=3 3805 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,2,0,0,0,0|1,0,0]=3 3806 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,2,0,0,0,0|0,0,0]=2 3807 B10R0.2 CCNC(=O)CN(C)CC=O 2230a_100000741943_200015260668 [0,2,0,0,0,0|2,0,0]=4 3808 B10R0.2 CCNC(=O)CN(C)CC=O 269982a_100000741943_200015260668 [0,2,0,0,0,0|2,0,0]=4 3809 B10R0.2 CCNC(=O)NC(=O)CNC 2230a_106832991635_100000183762 [0,2,0,0,0,0|2,0,0]=4 3810 B10R0.2 CCNC(=O)NC(=O)CNC 7a_106832991635_100000183762 [0,2,0,0,0,0|2,0,0]=4 3811 B10R0.2 CCNC(=O)NC(=O)CSC 62a_200000210301_100000183762 [0,2,0,0,0,0|2,0,0]=4 3812 B10R0.2 CCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183762 [0,2,0,0,0,0|2,0,0]=4 3813 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,2,0,0,0,0|1,0,1]=4 3814 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,2,0,0,0,0|1,0,1]=4 3815 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,2,0,0,0,0|1,0,1]=4 3816 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,2,0,0,0,0|1,0,1]=4 3817 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,2,0,0,0,0|0,0,2]=4 3818 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,2,0,0,0,0|0,1,1]=4 3819 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,2,0,0,0,0|0,1,1]=4 3820 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,2,0,0,0,0|0,1,1]=4 3821 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,2,0,0,0,0|0,1,1]=4 3822 B10R0.2 CCOC(=O)CC(=O)C=CBr 1458a_100016273825_100000188475 [0,2,0,0,0,0|0,0,1]=3 3823 B10R0.2 CCOC(=O)CC(=O)C=CCl 1458a_200016279998_100000188475 [0,2,0,0,0,0|0,0,1]=3 3824 B10R0.2 CCOC(=O)CC(=O)C=CI 1458a_100016256311_100000188475 [0,2,0,0,0,0|0,0,1]=3 3825 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,2,0,0,0,0|0,0,0]=2 3826 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,2,0,0,0,0|0,0,0]=2 3827 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,2,0,0,0,0|0,0,0]=2 3828 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,2,0,0,0,0|0,0,0]=2 3829 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,2,0,0,0,0|0,0,0]=2 3830 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,2,0,0,0,0|0,0,0]=2 3831 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,2,0,0,0,0|0,0,0]=2 3832 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,2,0,0,0,0|0,0,0]=2 3833 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,2,0,0,0,0|0,0,0]=2 3834 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,2,0,0,0,0|0,0,0]=2 3835 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,2,0,0,0,0|0,0,0]=2 3836 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,2,0,0,0,0|0,0,0]=2 3837 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,2,0,0,0,0|0,1,1]=4 3838 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,2,0,0,0,0|0,1,1]=4 3839 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,2,0,0,0,0|0,1,1]=4 3840 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,2,0,0,0,0|0,1,1]=4 3841 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,2,0,0,0,0|2,0,0]=4 3842 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,2,0,0,0,0|2,0,0]=4 3843 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,2,0,0,0,0|1,0,0]=3 3844 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,2,0,0,0,0|2,0,0]=4 3845 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,2,0,0,0,0|1,0,1]=4 3846 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,2,0,0,0,0|1,0,1]=4 3847 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,2,0,0,0,0|1,0,1]=4 3848 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,2,0,0,0,0|1,0,1]=4 3849 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,2,0,0,0,0|1,1,0]=4 3850 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,2,0,0,0,0|0,0,2]=4 3851 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,2,0,0,0,0|0,0,2]=4 3852 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,2,0,0,0,0|0,0,2]=4 3853 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,2,0,0,0,0|0,0,2]=4 3854 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,2,0,0,0,0|0,0,2]=4 3855 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,2,0,0,0,0|0,0,2]=4 3856 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,2,0,0,0,0|0,0,2]=4 3857 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,2,0,0,0,0|0,0,2]=4 3858 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,2,0,0,0,0|0,0,2]=4 3859 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,2,0,0,0,0|1,0,0]=3 3860 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,2,0,0,0,0|1,0,0]=3 3861 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,2,0,0,0,0|1,0,0]=3 3862 B10R0.2 COCC(=O)CC(=O)NCO 1458a_100000210968_100000185155 [0,2,0,0,0,0|2,0,0]=4 3863 B10R0.2 CSCC(=O)CC(=O)NCO 1458a_100000184570_100000185155 [0,2,0,0,0,0|2,0,0]=4 3864 B10R0.2 N#CCC(=O)CC(=O)NCO 1458a_100051588842_100000185155 [0,2,0,0,0,0|2,0,0]=4 3865 B10R0.2 O=C(CCO)CC(=O)NCO 1458a_100011216618_100000185155 [0,2,0,0,0,0|2,0,0]=4 3866 B10R0.7 CCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210303 [0,2,0,0,0,0|2,0,0]=4 3867 B10R0.7 CCNC(=O)CS(=O)(=O)CC 11a_100015525214_100000744335 [0,2,0,0,0,0|2,0,0]=4 3868 B10R0.7 CCNC(=O)CS(=O)(=O)CC 240690a_100015525214_100000744335 [0,2,0,0,0,0|2,0,0]=4 3869 B10R0.7 CCNC(=O)CS(=O)(=O)CC 527a_100015525214_100000744335 [0,2,0,0,0,0|2,0,0]=4 3870 B10R0.7 CCOC(=O)CC(C)(C)OC 7a_100000765344_200000210301 [0,2,0,0,0,0|0,0,2]=4 3871 B10R0.7 CCOC(=O)CC(C)(C)O[13CH3] 7a_100000765344_200025704644 [0,2,0,0,0,0|0,0,2]=4 3872 B10R0.7 CCOC(=O)CS(=O)(=O)NC 270084a_100102657272_100000738689 [0,2,0,0,0,0|1,0,0]=3 3873 B10R0.7 CCOC(=O)CS(=O)(=O)NC 274078a_100102657272_100000738689 [0,2,0,0,0,0|1,0,0]=3 3874 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000220607_100000210202 [0,2,0,0,0,0|2,0,0]=4 3875 B10R0.34 CCOC(=O)CN(CC)CC 2230a_100000724800_100000188475 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.34 CCOC(=O)CN(CC)CC 269956a_100000042499_100000188475 [0,2,0,0,0,0|2,0,0]=4 3877 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000220607_100000204670 [0,2,0,0,0,0|2,0,0]=4 3878 B10R0.34 CCOC(=O)CN(CC)CC 269982a_100000724800_100000188475 [0,2,0,0,0,0|2,0,0]=4 3879 B10R0.34 CCOC(=O)CN(CC)CF 269982a_100000220607_100015361967 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.34 CCOC(=O)C[C@@H](CCl)OC 7a_100000688340_200000210301 [0,2,0,0,0,0|0,0,2]=4 3881 B10R0.34 CCOC(=O)C[C@@H](CCl)O[13CH3] 7a_100000688340_200025704644 [0,2,0,0,0,0|0,0,2]=4 3882 B10R0.148 CCNS(=O)(=O)CC(=O)OC 270084a_100015525214_100000736875 [0,2,0,0,0,0|2,0,0]=4 3883 B10R0.148 CCNS(=O)(=O)CC(=O)OC 274078a_100015525214_100000736875 [0,2,0,0,0,0|2,0,0]=4 3884 B10R0.148 CCOC(C)(C)CC(=O)OC 7a_100015205050_100000210202 [0,2,0,0,0,0|1,0,1]=4 3885 B10R0.148 CCO[Si](C)(C)CC(=O)CC 1458a_100000210414_200000065227 [0,2,0,0,0,0|1,1,0]=4 3886 B10R0.148 CCO[Si](C)(C)CC(=O)CO 1458a_100000210174_200000065227 [0,2,0,0,0,0|1,1,0]=4 3887 B10R0.31 C=C(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000748629 [0,2,0,0,0,0|2,0,0]=4 3888 B10R0.31 C=C(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748629 [0,2,0,0,0,0|2,0,0]=4 3889 B10R0.31 CC(=O)CC(=O)NC(C)(C)C 1458a_100000070787_100000182746 [0,2,0,0,0,0|1,0,0]=3 3890 B10R0.31 CC(=O)CC(=O)NS(=O)(=O)C 1458a_100000070787_100009907230 [0,2,0,0,0,0|2,0,0]=4 3891 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000033093_200000210301 [0,2,0,0,0,0|0,0,0]=2 3892 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 1458a_100000070787_100000183872 [0,2,0,0,0,0|0,0,0]=2 3893 B10R0.31 CC(=O)CC(=O)O[Si](C)(C)C 1458a_100000070787_200009813336 [0,2,0,0,0,0|0,1,0]=3 3894 B10R0.31 CC(C)(C)CC(=O)CC(=O)N 1458a_100000211214_100000187820 [0,2,0,0,0,0|2,0,0]=4 3895 B10R0.31 CC(C)(C)CC(=O)CC(=O)[O-] 1458a_100000211214_100020667443 [0,2,0,0,0,0|2,0,0]=4 3896 B10R0.31 CC(C)(C)NC(=O)CC(=O)N 240690a_100000715429_100134613110 [0,2,0,0,0,0|2,0,0]=4 3897 B10R0.31 CC(C)(C)NC(=O)CC(=O)N 527a_100000715429_100134613110 [0,2,0,0,0,0|2,0,0]=4 3898 B10R0.31 CC(C)(C)OC(=O)CC(=O)[13CH3] 1458a_100000033093_200025704644 [0,2,0,0,0,0|0,0,0]=2 3899 B10R0.31 CC(C)(O)CC(=O)CC(=O)N 1458a_100000693243_100000187820 [0,2,0,0,0,0|2,0,0]=4 3900 B10R0.31 CC(C)(O)CC(=O)CC(=O)[O-] 1458a_100000693243_100020667443 [0,2,0,0,0,0|2,0,0]=4 3901 B10R0.31 CC(C)CC(=O)CS(=O)(=O)C 1458a_100000744497_100000210624 [0,2,0,0,0,0|2,0,0]=4 3902 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 11a_100138425928_100000744497 [0,2,0,0,0,0|2,0,0]=4 3903 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 240690a_100138425928_100000744497 [0,2,0,0,0,0|2,0,0]=4 3904 B10R0.31 CC(C)NC(=O)CS(=O)(=O)C 527a_100138425928_100000744497 [0,2,0,0,0,0|2,0,0]=4 3905 B10R0.31 CC(O)CC(=O)CS(=O)(=O)C 1458a_100000744497_100011218427 [0,2,0,0,0,0|2,0,0]=4 3906 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100000725589_200000210301 [0,2,0,0,0,0|2,0,0]=4 3907 B10R0.31 CN(C)CC(=O)OC(C)(C)C 2230a_100102631434_100000183872 [0,2,0,0,0,0|2,0,0]=4 3908 B10R0.31 CN([13CH3])CC(=O)OC(C)(C)C 2230a_100000725589_200025704644 [0,2,0,0,0,0|2,0,0]=4 3909 B10R0.165 CC(=O)CC(C)(C)OC(C)C 7a_100000210262_100000210206 [0,2,0,0,0,0|1,0,1]=4 3910 B10R0.165 CC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_200000210301 [0,2,0,0,0,0|2,0,0]=4 3911 B10R0.165 CC(C)CS(=O)(=O)CC(=O)[13CH3] 1458a_200000740652_200025704644 [0,2,0,0,0,0|2,0,0]=4 3912 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,1]=4 3913 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,1]=4 3914 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 3915 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 3916 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|0,0,0]=2 3917 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [1,0,0,1,0,0|2,0,0]=4 3918 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|1,0,1]=4 3919 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,1]=4 3920 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,1]=4 3921 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|0,0,2]=4 3922 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|1,0,1]=4 3923 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,1]=4 3924 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|1,0,1]=4 3925 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|1,0,1]=4 3926 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|0,0,2]=4 3927 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|0,1,1]=4 3928 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|0,0,2]=4 3929 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [1,0,0,1,0,0|1,0,1]=4 3930 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [1,0,0,1,0,0|1,0,1]=4 3931 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [1,0,0,1,0,0|1,0,1]=4 3932 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,1]=4 3933 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,1]=4 3934 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|1,0,1]=4 3935 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,1]=4 3936 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|2,0,0]=4 3937 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|2,0,0]=4 3938 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|0,1,1]=4 3939 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|1,0,1]=4 3940 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,1,0,0|0,0,1]=3 3941 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,1]=4 3942 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,1]=4 3943 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 3944 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|0,0,1]=3 3945 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|0,0,1]=3 3946 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 3947 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|1,0,1]=4 3948 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,1,0,0|0,0,1]=3 3949 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,1]=4 3950 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 3951 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|0,0,1]=3 3952 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 3953 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|1,0,1]=4 3954 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,1]=4 3955 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,1]=4 3956 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 3957 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|1,0,1]=4 3958 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,1]=4 3959 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 3960 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|2,0,0]=4 3961 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|2,0,0]=4 3962 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 3963 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 3964 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 3965 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|1,0,0]=3 3966 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|1,0,0]=3 3967 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|2,0,0]=4 3968 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|2,0,0]=4 3969 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|1,0,0]=3 3970 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|2,0,0]=4 3971 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|2,0,0]=4 3972 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|2,0,0]=4 3973 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|1,0,0]=3 3974 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|1,0,0]=3 3975 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 3976 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 3977 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|2,0,0]=4 3978 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|2,0,0]=4 3979 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|2,0,0]=4 3980 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|2,0,0]=4 3981 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|1,0,0]=3 3982 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|1,0,0]=3 3983 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [1,0,0,1,0,0|1,0,1]=4 3984 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|1,0,1]=4 3985 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|2,0,0]=4 3986 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 3987 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 3988 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [1,0,0,1,0,0|1,0,1]=4 3989 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 3990 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 3991 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [1,0,0,1,0,0|2,0,0]=4 3992 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 3993 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [1,0,0,1,0,0|2,0,0]=4 3994 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [1,0,0,1,0,0|2,0,0]=4 3995 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [1,0,0,1,0,0|2,0,0]=4 3996 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [1,0,0,1,0,0|2,0,0]=4 3997 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [1,0,0,1,0,0|2,0,0]=4 3998 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [1,0,0,1,0,0|2,0,0]=4 3999 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [1,0,0,1,0,0|2,0,0]=4 4000 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [1,0,0,1,0,0|2,0,0]=4 4001 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [1,0,0,1,0,0|2,0,0]=4 4002 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,1,1,0|1,0,1]=4 4003 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,0,0,1,0,1|1,0,1]=4 4004 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,0,0,1,0,1|1,0,1]=4 4005 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,0,0,1,0,1|1,0,1]=4 4006 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,0,0,1,0,1|1,0,0]=3 4007 B10R1.64 CC(=O)CN1CCN=C1N 1458a_100000032790_200000210301 [0,0,0,1,0,1|2,0,0]=4 4008 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,1|0,0,0]=2 4009 B10R1.64 CC(=O)CN1CSCC1=O 1458a_100000008433_200000210301 [0,0,0,1,0,1|2,0,0]=4 4010 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,0,0,1,0,1|1,0,0]=3 4011 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,0,0,1,0,1|1,0,0]=3 4012 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,0,0,1,0,1|1,0,0]=3 4013 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,0,0,1,0,1|1,0,0]=3 4014 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,0,0,1,0,1|0,1,0]=3 4015 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,0,0,1,0,1|0,1,0]=3 4016 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,0,0,1,0,1|0,1,0]=3 4017 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,0,0,1,0,1|0,1,0]=3 4018 B10R1.64 CC(=O)N[C@@H]1CONC1=O 11a_100000765999_100015343762 [0,0,0,1,0,1|2,0,0]=4 4019 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,0,0,1,0,1|1,0,1]=4 4020 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,0,0,1,0,1|1,0,1]=4 4021 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,0,0,1,0,1|1,0,1]=4 4022 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,0,0,1,0,1|1,0,1]=4 4023 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,0,0,1,0,1|1,0,1]=4 4024 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,0,0,1,0,1|1,0,0]=3 4025 B10R1.64 [13CH3]C(=O)CN1CCN=C1N 1458a_100000032790_200025704644 [0,0,0,1,0,1|2,0,0]=4 4026 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,1|0,0,0]=2 4027 B10R1.64 [13CH3]C(=O)CN1CSCC1=O 1458a_100000008433_200025704644 [0,0,0,1,0,1|2,0,0]=4 4028 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,1,0,1|1,0,1]=4 4029 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,1,0,1|0,0,2]=4 4030 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,1,0,1|0,0,2]=4 4031 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,1,0,1|2,0,0]=4 4032 B10R1.66 CC(=O)CNC1=NCCC1 1458a_100000118783_200000210301 [0,0,0,1,0,1|2,0,0]=4 4033 B10R1.66 CC(=O)NCC1OCCO1 11a_100000036311_100015343762 [0,0,0,1,0,1|0,0,2]=4 4034 B10R1.66 CC(=O)NCC1OCCO1 1626a_100000036311_100015343762 [0,0,0,1,0,1|0,0,2]=4 4035 B10R1.66 CC(=O)NCC1OCCO1 527a_100000036311_100103153847 [0,0,0,1,0,1|0,0,2]=4 4036 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,1,0,1|1,0,1]=4 4037 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,1,0,1|1,0,1]=4 4038 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,1,0,1|1,0,1]=4 4039 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,1,0,1|1,0,1]=4 4040 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,1,0,1|1,0,1]=4 4041 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,1,0,1|0,0,2]=4 4042 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,1,0,1|2,0,0]=4 4043 B10R1.66 [13CH3]C(=O)CNC1=NCCC1 1458a_100000118783_200025704644 [0,0,0,1,0,1|2,0,0]=4 4044 B10R1.93 CCOC1CN(C1)C(=O)C 11a_100000732654_100015343762 [0,0,0,1,0,1|1,0,1]=4 4045 B10R1.93 CCOC1CN(C1)C(=O)C 1626a_100000732654_100015343762 [0,0,0,1,0,1|1,0,1]=4 4046 B10R1.93 CCOC1CN(C1)C(=O)C 240690a_100000732654_100015343762 [0,0,0,1,0,1|1,0,1]=4 4047 B10R1.93 CCOC1CN(C1)C(=O)C 527a_100000732654_100103153847 [0,0,0,1,0,1|1,0,1]=4 4048 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,0,1|1,0,0]=3 4049 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,1,0,1|2,0,0]=4 4050 B10R1.113 CC(=O)N1CCC=C(C1)C 11a_100000725631_100015343762 [0,0,0,1,0,1|2,0,0]=4 4051 B10R1.113 CC(=O)N1CCC=C(C1)C 1626a_100000725631_100015343762 [0,0,0,1,0,1|2,0,0]=4 4052 B10R1.113 CC(=O)N1CCC=C(C1)C 240690a_100000725631_100015343762 [0,0,0,1,0,1|2,0,0]=4 4053 B10R1.113 CC(=O)N1CCC=C(C1)C 527a_100000725631_100103153847 [0,0,0,1,0,1|2,0,0]=4 4054 B10R1.113 CC(=O)N1CCNC(=O)C1 11a_100000184651_100015343762 [0,0,0,1,0,1|1,0,0]=3 4055 B10R1.113 CC(=O)N1CCNC(=O)C1 1626a_100000184651_100015343762 [0,0,0,1,0,1|1,0,0]=3 4056 B10R1.113 CC(=O)N1CCNC(=O)C1 240690a_100000184651_100015343762 [0,0,0,1,0,1|1,0,0]=3 4057 B10R1.113 CC(=O)N1CCNC(=O)C1 527a_100000184651_100103153847 [0,0,0,1,0,1|1,0,0]=3 4058 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,1,0,1|0,0,0]=2 4059 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,1,0,1|0,0,0]=2 4060 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,1,0,1|0,0,0]=2 4061 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,0,0,1,0,1|1,0,1]=4 4062 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,0,0,1,0,1|1,0,1]=4 4063 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,0,0,1,0,1|1,0,1]=4 4064 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,0,0,1,0,1|1,0,1]=4 4065 B10R1.113 CC(=O)N1CCOC(C1)O 11a_100000688207_100015343762 [0,0,0,1,0,1|0,0,2]=4 4066 B10R1.113 CC(=O)N1CCOC(C1)O 240690a_100000688207_100015343762 [0,0,0,1,0,1|0,0,2]=4 4067 B10R1.113 CC(=O)N1CCOC(C1)O 527a_100000688207_100103153847 [0,0,0,1,0,1|0,0,2]=4 4068 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,0,0,1,0,1|2,0,0]=4 4069 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,1|1,0,0]=3 4070 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,0,1|1,0,1]=4 4071 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,0,0,1,0,1|2,0,0]=4 4072 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,0,1|1,0,0]=3 4073 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,1,0,1|2,0,0]=4 4074 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,1|1,0,0]=3 4075 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,0,0,1,0,1|1,0,1]=4 4076 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,0,0,1,0,1|1,0,1]=4 4077 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,0,0,1,0,1|2,0,0]=4 4078 B10R1.140 C=C1CC(C1)C(=O)NCC 11a_100015525214_100000065620 [0,0,0,1,0,1|2,0,0]=4 4079 B10R1.140 C=C1CC(C1)C(=O)NCC 240690a_100015525214_100000065620 [0,0,0,1,0,1|2,0,0]=4 4080 B10R1.140 C=C1CC(C1)C(=O)NCC 527a_100015525214_100000065620 [0,0,0,1,0,1|2,0,0]=4 4081 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,0,0,1,0,1|1,0,0]=3 4082 B10R1.140 CCNC(=O)[C@@H]1CC(=O)N1 527a_100015525214_100016090685 [0,0,0,1,0,1|1,0,0]=3 4083 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,0,0,1,0,1|2,0,0]=4 4084 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,0,0,1,0,1|2,0,0]=4 4085 B10R1.140 CNNC(=O)[C@@H]1CC(=O)N1 22a_100016993582_100016090685 [0,0,0,1,0,1|2,0,0]=4 4086 B10R1.140 O=C1C[C@H](N1)C(=O)CCF 1458a_100016090685_100011217306 [0,0,0,1,0,1|2,0,0]=4 4087 B10R1.140 O=C1C[C@H](N1)C(=O)CCO 1458a_100016090685_100000211926 [0,0,0,1,0,1|2,0,0]=4 4088 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,0,0,1,0,1|2,0,0]=4 4089 B10R1.211 C=C(C)CNC(=O)C1CC1 11a_100000765925_100000210395 [0,0,0,1,0,1|2,0,0]=4 4090 B10R1.211 C=C(C)CNC(=O)C1CC1 1626a_100000765925_100000210395 [0,0,0,1,0,1|2,0,0]=4 4091 B10R1.211 C=C(C)CNC(=O)C1CC1 240690a_100000765925_100000210395 [0,0,0,1,0,1|2,0,0]=4 4092 B10R1.211 C=C(C)CNC(=O)C1CC1 527a_100000765925_100000210395 [0,0,0,1,0,1|2,0,0]=4 4093 B10R1.211 CC(=CCC(=O)C1CC1)C 1458a_100000210395_100000761012 [0,0,0,1,0,1|2,0,0]=4 4094 B10R1.211 CC(=O)COC(=O)C1CC1 1458a_100000070787_100000140896 [0,0,0,1,0,1|1,0,0]=3 4095 B10R1.211 CC(=O)NNC(=O)C1CC1 22a_100000183419_100000070787 [0,0,0,1,0,1|2,0,0]=4 4096 B10R1.211 CC(=O)NNC(=O)C1CC1 22a_100000189765_100000210395 [0,0,0,1,0,1|2,0,0]=4 4097 B10R1.211 NC(=O)CNC(=O)C1CC1 11a_100000711301_100000210395 [0,0,0,1,0,1|2,0,0]=4 4098 B10R1.211 NC(=O)CNC(=O)C1CC1 240690a_100000711301_100000210395 [0,0,0,1,0,1|2,0,0]=4 4099 B10R1.211 NC(=O)CNC(=O)C1CC1 527a_100000711301_100000210395 [0,0,0,1,0,1|2,0,0]=4 4100 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|1,0,1]=4 4101 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,1,0,0|1,0,1]=4 4102 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,1,0,0|1,0,1]=4 4103 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,1,0,0|1,0,1]=4 4104 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,1,0,0|2,0,0]=4 4105 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|1,0,1]=4 4106 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|1,0,1]=4 4107 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|1,0,1]=4 4108 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|1,0,1]=4 4109 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,1,0,0|2,0,0]=4 4110 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|1,0,1]=4 4111 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|1,0,1]=4 4112 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,1,0,1,0,0|1,0,1]=4 4113 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,1,0,1,0,0|1,0,1]=4 4114 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,1,0,1,0,0|1,0,1]=4 4115 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100000070787_100000735555 [0,1,0,1,0,0|1,0,1]=4 4116 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100011441805_200000210301 [0,1,0,1,0,0|1,0,1]=4 4117 B10R1.54 CC(=O)Cc1nnc(o1)C 1458a_100000070787_100000181450 [0,1,0,1,0,0|1,0,1]=4 4118 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000070787_100000231061 [0,1,0,1,0,0|1,0,1]=4 4119 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000105485_200000210301 [0,1,0,1,0,0|1,0,1]=4 4120 B10R1.54 CC(=O)Cc1noc(n1)C 270196a_100011229364_100000070787 [0,1,0,1,0,0|1,0,1]=4 4121 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,1,0,1,0,0|1,0,1]=4 4122 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,1,0,1,0,0|1,0,1]=4 4123 B10R1.54 Cc1nc(no1)CC(=O)[13CH3] 1458a_100000105485_200025704644 [0,1,0,1,0,0|1,0,1]=4 4124 B10R1.54 Cc1noc(n1)CC(=O)[13CH3] 1458a_100011441805_200025704644 [0,1,0,1,0,0|1,0,1]=4 4125 B10R1.61 CC(=O)C1=C(OCCO1)C 1458a_100000068647_200000210301 [0,1,0,1,0,0|1,0,1]=4 4126 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|1,0,0]=3 4127 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|1,0,0]=3 4128 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|1,0,0]=3 4129 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,1,0,0|1,0,0]=3 4130 B10R1.61 CC1=C(OCCO1)C(=O)[13CH3] 1458a_100000068647_200025704644 [0,1,0,1,0,0|1,0,1]=4 4131 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|1,0,0]=3 4132 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,1,0,1,0,0|2,0,0]=4 4133 B10R1.110 C=C(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000748629 [0,1,0,1,0,0|2,0,0]=4 4134 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,1,0,1,0,0|2,0,0]=4 4135 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,1,0,1,0,0|2,0,0]=4 4136 B10R1.110 NC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000187820 [0,1,0,1,0,0|2,0,0]=4 4137 B10R1.110 O=C([O-])CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100020667443 [0,1,0,1,0,0|2,0,0]=4 4138 B10R1.130 CCNC1CC(=O)NC1=O 2230a_100102712934_100000210202 [0,1,0,1,0,0|2,0,0]=4 4139 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [0,1,0,1,0,0|1,0,1]=4 4140 B10R1.180 CCOCC(=O)CC1CO1 1458a_100000211967_100011216344 [0,1,0,1,0,0|0,0,2]=4 4141 B10R1.180 CCOCC(=O)CC1CS1 1458a_100000211967_100000031435 [0,1,0,1,0,0|0,1,1]=4 4142 B10R1.180 CCOCC(=O)C[C@@H]1CO1 1458a_100000211967_100000745022 [0,1,0,1,0,0|0,0,2]=4 4143 B10R1.192 CC(=O)C1C(=O)NN=C1C 1458a_100000070787_200009843013 [0,1,0,1,0,0|1,0,1]=4 4144 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,1,0,1,0,0|2,0,0]=4 4145 B10R1.266 C=C(C)CC(=O)C1CCO1 1458a_100000089072_100000748629 [0,1,0,1,0,0|1,0,0]=3 4146 B10R1.266 C=C(C)CC(=O)C1COC1 1458a_100000758290_100000748629 [0,1,0,1,0,0|2,0,0]=4 4147 B10R1.266 C=C(F)CC(=O)C1CCO1 1458a_100000089072_100009893438 [0,1,0,1,0,0|1,0,1]=4 4148 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,1,0,1,0,0|1,0,0]=3 4149 B10R1.266 CC(=O)CC(=O)N1CCC1 1458a_100000070787_100000185095 [0,1,0,1,0,0|1,0,0]=3 4150 B10R1.266 CC(C)CC(=O)C1CCO1 1458a_100000089072_100000210624 [0,1,0,1,0,0|1,0,1]=4 4151 B10R1.266 CC(O)CC(=O)C1CCO1 1458a_100000089072_100011218427 [0,1,0,1,0,0|0,0,2]=4 4152 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,1,0,1,0,0|2,0,0]=4 4153 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,1,0,1,0,0|2,0,0]=4 4154 B10R1.266 NC(=O)CC(=O)C1CCO1 1458a_100000089072_100000187820 [0,1,0,1,0,0|1,0,0]=3 4155 B10R1.266 NC(=O)CC(=O)C1COC1 1458a_100000758290_100000187820 [0,1,0,1,0,0|2,0,0]=4 4156 B10R1.266 NC(=O)CC(=O)C1COC1 1458a_100134613110_100000687716 [0,1,0,1,0,0|2,0,0]=4 4157 B10R1.266 NC(=O)CC(=O)N1CCC1 240690a_100000754969_100134613110 [0,1,0,1,0,0|2,0,0]=4 4158 B10R1.266 NC(=O)CC(=O)N1CCC1 527a_100000754969_100134613110 [0,1,0,1,0,0|2,0,0]=4 4159 B10R1.266 O=C(C[N+](=O)[O-])C1CCO1 1458a_100000089072_100000761209 [0,1,0,1,0,0|2,0,0]=4 4160 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,1,0,1,0,0|2,0,0]=4 4161 B10R1.266 O=C([O-])CC(=O)C1CCO1 1458a_100000089072_100020667443 [0,1,0,1,0,0|1,0,0]=3 4162 B10R1.266 O=C([O-])CC(=O)C1COC1 1458a_100000758290_100020667443 [0,1,0,1,0,0|2,0,0]=4 4163 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,1,0,1,0,0|2,0,0]=4 4164 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [0,1,0,1,0,0|1,0,0]=3 4165 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,1,0,1,0,0|2,0,0]=4 4166 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,1,0,1,0,0|2,0,0]=4 4167 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,1,0,1,0,0|2,0,0]=4 4168 B10R1.268 NC(=O)CC(=O)CC1CO1 1458a_100134613110_100011216344 [0,1,0,1,0,0|2,0,0]=4 4169 B10R1.268 NC(=O)CC(=O)CC1CS1 1458a_100134613110_100000031435 [0,1,0,1,0,0|2,0,0]=4 4170 B10R1.268 NC(=O)CC(=O)C[C@@H]1CO1 1458a_100134613110_100000745022 [0,1,0,1,0,0|2,0,0]=4 4171 B10R1.268 NC(=O)CC(=O)NC1CC1 240690a_100000212008_100134613110 [0,1,0,1,0,0|2,0,0]=4 4172 B10R1.268 NC(=O)CC(=O)NC1CC1 527a_100000212008_100134613110 [0,1,0,1,0,0|2,0,0]=4 4173 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,1,0,1,0,0|2,0,0]=4 4174 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,1,0,1,0,0|2,0,0]=4 4175 B10R1.370 CC(=O)CC1(OCCO1)C 1458a_100000137474_200000210301 [0,1,0,1,0,0|0,0,2]=4 4176 B10R1.370 CC1(OCCO1)CC(=O)[13CH3] 1458a_100000137474_200025704644 [0,1,0,1,0,0|0,0,2]=4 4177 B10R1.139 CC#CC(=O)C1CCC1=O 1458a_100000763181_100009892977 [0,1,0,1,0,0|1,0,1]=4 4178 B10R1.139 CC=CC(=O)C1CCC1=O 1458a_100000210699_100009892977 [0,1,0,1,0,0|1,0,1]=4 4179 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,1,0,0|1,0,0]=3 4180 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,1,0,0|2,0,0]=4 4181 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [0,1,0,1,0,0|2,0,0]=4 4182 B10R1.139 O=C(CCO)C1CCC1=O 1458a_100011216618_100009892977 [0,1,0,1,0,0|2,0,0]=4 4183 B10R1.278 CC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100000179758 [0,1,0,1,0,0|1,0,0]=3 4184 B10R1.278 CC(=O)C(C)C(=O)C1CO1 1458a_100000701028_100000179758 [0,1,0,1,0,0|2,0,0]=4 4185 B10R1.278 CC(C(=O)N)C(=O)C1CC1 1458a_100000210395_100000702099 [0,1,0,1,0,0|2,0,0]=4 4186 B10R1.278 NC(=O)C(F)C(=O)C1CC1 1458a_100000210395_100009813875 [0,1,0,1,0,0|2,0,0]=4 4187 B10R1.278 O=C([O-])C(F)C(=O)C1CC1 1458a_100000210395_100020610796 [0,1,0,1,0,0|2,0,0]=4 4188 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|1,0,1]=4 4189 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|1,0,1]=4 4190 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,1,0,1,0,0|1,0,0]=3 4191 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,1,0,1,0,0|1,0,0]=3 4192 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,1,0,1,0,0|1,0,0]=3 4193 B10R1.267 C=C(C)CC(=O)C1(CC1)C 1458a_100000756474_100000748629 [0,1,0,1,0,0|2,0,0]=4 4194 B10R1.267 C=C(C)CC(=O)C1(CC1)F 1458a_100000055089_100000748629 [0,1,0,1,0,0|2,0,0]=4 4195 B10R1.267 C=C(C)CC(=O)C1(CC1)O 1458a_100000241761_100000748629 [0,1,0,1,0,0|2,0,0]=4 4196 B10R1.267 CC1(CC1)C(=O)CC(=O)N 1458a_100000756474_100000187820 [0,1,0,1,0,0|2,0,0]=4 4197 B10R1.267 CC1(CC1)C(=O)CC(=O)[O-] 1458a_100000756474_100020667443 [0,1,0,1,0,0|2,0,0]=4 4198 B10R1.267 NC(=O)CC(=O)C1(CC1)F 1458a_100000055089_100000187820 [0,1,0,1,0,0|2,0,0]=4 4199 B10R1.267 NC(=O)CC(=O)C1(CC1)O 1458a_100000241761_100000187820 [0,1,0,1,0,0|2,0,0]=4 4200 B10R1.267 O=C([O-])CC(=O)C1(CC1)F 1458a_100000055089_100020667443 [0,1,0,1,0,0|2,0,0]=4 4201 B10R1.267 O=C([O-])CC(=O)C1(CC1)O 1458a_100000241761_100020667443 [0,1,0,1,0,0|2,0,0]=4 4202 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,1,0,0|2,0,0]=4 4203 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|1,0,1]=4 4204 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,1,0,1,0,0|0,0,2]=4 4205 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,1,0,0|2,0,0]=4 4206 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,1,0,0|2,0,0]=4 4207 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,1,0,0|2,0,0]=4 4208 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,1,0,0|2,0,0]=4 4209 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,1,0,1,0,0|2,0,0]=4 4210 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,1]=4 4211 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,1,0,1,0,0|0,0,2]=4 4212 B10R1.134 C#CC(=O)CC(=O)C1CC1 1458a_100000211873_100000746382 [0,1,0,1,0,0|1,0,1]=4 4213 B10R1.134 C=CC(=O)CC(=O)C1CC1 1458a_100000185746_100000746382 [0,1,0,1,0,0|1,0,1]=4 4214 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747405 [0,1,0,1,0,0|1,0,0]=3 4215 B10R1.134 CCC(=O)CC(=O)C1CC1 1458a_100000210414_100000746382 [0,1,0,1,0,0|1,0,0]=3 4216 B10R1.134 CCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747405 [0,1,0,1,0,0|2,0,0]=4 4217 B10R1.134 CNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183359 [0,1,0,1,0,0|1,0,0]=3 4218 B10R1.134 CNC(=O)CC(=O)C1CO1 1458a_100000701028_100000183359 [0,1,0,1,0,0|2,0,0]=4 4219 B10R1.134 COC(=O)CC(=O)C1CC1 1458a_100000210395_100000747449 [0,1,0,1,0,0|1,0,0]=3 4220 B10R1.134 COC(=O)CC(=O)C1CO1 1458a_100000701028_100000747449 [0,1,0,1,0,0|2,0,0]=4 4221 B10R1.134 O=C(CO)CC(=O)C1CC1 1458a_100000210174_100000746382 [0,1,0,1,0,0|1,0,0]=3 4222 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,1,0,1,0,0|2,0,0]=4 4223 B10R1.149 C#CC(=O)C1CCCC1=O 1458a_100000211873_100000211823 [0,1,0,1,0,0|1,0,1]=4 4224 B10R1.149 C#CC(=O)C1CCOC1=O 1458a_100000211873_100000211211 [0,1,0,1,0,0|0,0,1]=3 4225 B10R1.149 C=CC(=O)C1CCCC1=O 1458a_100000185746_100000211823 [0,1,0,1,0,0|1,0,1]=4 4226 B10R1.149 C=CC(=O)C1CCOC1=O 1458a_100000185746_100000211211 [0,1,0,1,0,0|0,0,1]=3 4227 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|1,0,0]=3 4228 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,1,0,1,0,0|0,0,0]=2 4229 B10R1.149 CCN(C)C1CCOC1=O 2230a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 4230 B10R1.149 CCN(C)C1CCOC1=O 269982a_100000225621_100000211211 [0,1,0,1,0,0|2,0,0]=4 4231 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|1,0,0]=3 4232 B10R1.149 O=C(CO)C1CCOC1=O 1458a_100000210174_100000211211 [0,1,0,1,0,0|0,0,0]=2 4233 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,1,0|1,0,1]=4 4234 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,1,0|1,0,1]=4 4235 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,0,0,1,0|1,0,0]=3 4236 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [1,0,0,0,1,0|2,0,0]=4 4237 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,0,0,0,1,0|2,0,0]=4 4238 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,0,0,0,1,0|2,0,0]=4 4239 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,1,0|1,0,1]=4 4240 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,0,0,1,0|1,0,1]=4 4241 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,0,0,1,0|1,0,1]=4 4242 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,0,0,1,0|1,0,1]=4 4243 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,0,0,1,0|2,0,0]=4 4244 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,0,0,1,0|2,0,0]=4 4245 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,0,0,1,0|2,0,0]=4 4246 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,0,0,1,0|2,0,0]=4 4247 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,1,0|0,0,2]=4 4248 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,1,0|0,0,2]=4 4249 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,1,0|1,0,1]=4 4250 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,1,0|1,0,1]=4 4251 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,1,0|1,0,1]=4 4252 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,1,0|0,0,2]=4 4253 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,1,0|0,0,2]=4 4254 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,1,0|2,0,0]=4 4255 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,1,0|2,0,0]=4 4256 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,1,0|2,0,0]=4 4257 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,1,0|2,0,0]=4 4258 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,0,0,1,0|1,0,0]=3 4259 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,0,0,0,1,0|2,0,0]=4 4260 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,0,0,1,0|1,0,0]=3 4261 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,1,0|1,0,1]=4 4262 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,1,0|1,0,1]=4 4263 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,1,0|1,0,1]=4 4264 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,0,0,0,0,2|2,0,0]=4 4265 B10R0.3 C=C(C)CNNC(=O)CCC 22a_100000729518_100000211992 [0,0,0,0,0,2|2,0,0]=4 4266 B10R0.3 C=C(C)CNNC(=O)NCC 273464a_100015525214_100000729518 [0,0,0,0,0,2|2,0,0]=4 4267 B10R0.3 C=C(C)CNNC(=O)NCC 512a_100000729518_100015525214 [0,0,0,0,0,2|2,0,0]=4 4268 B10R0.3 C=C(C)CNNC(=O)NCC 512a_100015525214_100000729518 [0,0,0,0,0,2|2,0,0]=4 4269 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,0,0,0,0,2|2,0,0]=4 4270 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,0,0,0,0,2|1,0,0]=3 4271 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,0,0,0,0,2|2,0,0]=4 4272 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,0,0,0,0,2|2,0,0]=4 4273 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,0,0,0,0,2|2,0,0]=4 4274 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,0,0,0,0,2|2,0,0]=4 4275 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,0,0,0,0,2|1,0,0]=3 4276 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,0,0,0,0,2|1,0,0]=3 4277 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,0,0,0,0,2|1,0,1]=4 4278 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,0,0,0,0,2|1,0,1]=4 4279 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,0,0,0,0,2|1,0,1]=4 4280 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,0,0,0,0,2|0,0,2]=4 4281 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,0,0,0,0,2|1,0,1]=4 4282 B10R0.3 CC#CC(=O)CCNC(=O)C 1458a_100000763181_100000189650 [0,0,0,0,0,2|1,0,1]=4 4283 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,0,0,0,0,2|1,0,1]=4 4284 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,0,0,0,0,2|2,0,0]=4 4285 B10R0.3 CC(=O)COCC(=O)NCO 34a_100000211253_100000185155 [0,0,0,0,0,2|2,0,0]=4 4286 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,0,0,0,0,2|2,0,0]=4 4287 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,0,0,0,0,2|2,0,0]=4 4288 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,0,0,0,0,2|2,0,0]=4 4289 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,0,0,0,0,2|2,0,0]=4 4290 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,0,0,0,0,2|2,0,0]=4 4291 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,0,0,0,0,2|2,0,0]=4 4292 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,0,0,0,0,2|1,0,1]=4 4293 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,0,0,0,0,2|1,0,1]=4 4294 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,0,0,0,0,2|1,0,1]=4 4295 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,2|2,0,0]=4 4296 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,0,0,0,0,2|1,0,0]=3 4297 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,0,0,0,0,2|2,0,0]=4 4298 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,0,0,0,0,2|1,0,0]=3 4299 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,0,0,0,0,2|1,0,0]=3 4300 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,0,0,0,0,2|2,0,0]=4 4301 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,0,0,0,0,2|2,0,0]=4 4302 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,0,0,0,0,2|1,0,0]=3 4303 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,0,0,0,0,2|2,0,0]=4 4304 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,0,0,0,0,2|1,0,0]=3 4305 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,0,0,0,0,2|2,0,0]=4 4306 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,0,0,0,0,2|2,0,0]=4 4307 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,0,0,0,0,2|2,0,0]=4 4308 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,0,0,0,0,2|2,0,0]=4 4309 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,0,0,0,0,2|2,0,0]=4 4310 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,0,0,0,0,2|2,0,0]=4 4311 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,0,0,0,0,2|2,0,0]=4 4312 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,0,0,0,0,2|2,0,0]=4 4313 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,0,0,0,0,2|2,0,0]=4 4314 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,0,0,0,0,2|2,0,0]=4 4315 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,0,0,0,0,2|2,0,0]=4 4316 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,0,0,0,0,2|2,0,0]=4 4317 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,0,0,0,0,2|2,0,0]=4 4318 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,0,0,0,0,2|1,0,0]=3 4319 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,0,0,0,0,2|1,0,0]=3 4320 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,0,0,0,0,2|1,0,0]=3 4321 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,0,0,0,0,2|1,0,0]=3 4322 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,0,0,0,0,2|1,0,0]=3 4323 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,0,0,0,0,2|1,0,0]=3 4324 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,0,0,0,0,2|1,0,0]=3 4325 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,0,0,0,0,2|1,0,0]=3 4326 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,0,0,0,0,2|1,0,0]=3 4327 B10R0.3 CCNC(=O)CCNC(=O)N 240690a_100015525214_100000181464 [0,0,0,0,0,2|2,0,0]=4 4328 B10R0.3 CCNC(=O)CCNC(=O)N 527a_100015525214_100000181464 [0,0,0,0,0,2|2,0,0]=4 4329 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,0,0,0,0,2|1,0,0]=3 4330 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100000711301_100000183381 [0,0,0,0,0,2|2,0,0]=4 4331 B10R0.3 CCNC(=O)CNCC(=O)N 2230a_100016988866_100000747473 [0,0,0,0,0,2|2,0,0]=4 4332 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,0,0,0,0,2|2,0,0]=4 4333 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,0,0,0,0,2|1,0,0]=3 4334 B10R0.3 CCNC(=O)COCC(=O)N 240690a_100015525214_100011219004 [0,0,0,0,0,2|2,0,0]=4 4335 B10R0.3 CCNC(=O)COCC(=O)N 527a_100015525214_100011219004 [0,0,0,0,0,2|2,0,0]=4 4336 B10R0.3 CCNC(=O)CSCC(=O)N 11a_100015525214_100000150265 [0,0,0,0,0,2|2,0,0]=4 4337 B10R0.3 CCNC(=O)CSCC(=O)N 240690a_100015525214_100000150265 [0,0,0,0,0,2|2,0,0]=4 4338 B10R0.3 CCNC(=O)CSCC(=O)N 527a_100015525214_100000150265 [0,0,0,0,0,2|2,0,0]=4 4339 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000183381_100000747473 [0,0,0,0,0,2|2,0,0]=4 4340 B10R0.3 CCNC(=O)CSCC(=O)N 62a_100000747473_100000183381 [0,0,0,0,0,2|2,0,0]=4 4341 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100000183381_100020667443 [0,0,0,0,0,2|2,0,0]=4 4342 B10R0.3 CCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183381 [0,0,0,0,0,2|2,0,0]=4 4343 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,0,0,0,0,2|2,0,0]=4 4344 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,0,0,0,0,2|2,0,0]=4 4345 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,0,0,0,0,2|2,0,0]=4 4346 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,0,0,0,0,2|2,0,0]=4 4347 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,0,0,0,0,2|2,0,0]=4 4348 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,0,0,0,0,2|2,0,0]=4 4349 B10R0.3 CCNC(=O)NCCC(=O)N 2708a_100015525214_100000740010 [0,0,0,0,0,2|2,0,0]=4 4350 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100000740010_100015525214 [0,0,0,0,0,2|2,0,0]=4 4351 B10R0.3 CCNC(=O)NCCC(=O)N 273464a_100015525214_100000740010 [0,0,0,0,0,2|2,0,0]=4 4352 B10R0.3 CCNC(=O)NCCC(=O)N 512a_100015525214_100000740010 [0,0,0,0,0,2|2,0,0]=4 4353 B10R0.3 CCNC(=S)SCCC(=O)C 1458a_200009862762_200000210301 [0,0,0,0,0,2|1,1,0]=4 4354 B10R0.3 CCNC(=S)SCCC(=O)[13CH3] 1458a_200009862762_200025704644 [0,0,0,0,0,2|1,1,0]=4 4355 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,0,0,0,0,2|2,0,0]=4 4356 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,0,0,0,0,2|2,0,0]=4 4357 B10R0.3 CCOC(=O)C=NNC(=O)C 4a_100000189765_100000742314 [0,0,0,0,0,2|0,0,1]=3 4358 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,2|0,0,0]=2 4359 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,2|0,0,0]=2 4360 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,2|0,0,0]=2 4361 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,0,0,0,0,2|2,0,0]=4 4362 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,0,0,0,0,2|2,0,0]=4 4363 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,0,0,0,0,2|0,0,0]=2 4364 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,0,0,0,0,2|1,0,1]=4 4365 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,0,0,0,0,2|1,0,1]=4 4366 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,0,0,0,0,2|1,0,1]=4 4367 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,0,0,0,0,2|1,0,1]=4 4368 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,0,0,0,0,2|1,0,1]=4 4369 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,0,0,0,0,2|1,0,0]=3 4370 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,0,0,0,0,2|1,0,0]=3 4371 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,0,0,0,0,2|1,0,1]=4 4372 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,0,0,0,0,2|1,0,1]=4 4373 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,0,0,0,0,2|0,0,2]=4 4374 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,0,0,0,0,2|0,0,2]=4 4375 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,0,0,0,0,2|0,0,0]=2 4376 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,0,0,0,0,2|1,0,1]=4 4377 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,0,0,0,0,2|1,0,1]=4 4378 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,0,0,0,0,2|1,0,1]=4 4379 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,0,0,0,0,2|1,0,1]=4 4380 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,0,0,0,0,2|1,0,1]=4 4381 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,0,0,0,0,2|1,0,0]=3 4382 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,0,0,0,0,2|1,0,0]=3 4383 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,0,0,0,0,2|1,0,0]=3 4384 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,0,0,0,0,2|1,0,0]=3 4385 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,0,0,0,0,2|1,0,1]=4 4386 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,0,0,0,0,2|1,0,1]=4 4387 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,0,0,0,0,2|0,0,2]=4 4388 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,0,0,0,0,2|0,0,2]=4 4389 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,0,0,0,0,2|0,0,2]=4 4390 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,0,0,0,0,2|0,0,2]=4 4391 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,0,0,0,0,2|2,0,0]=4 4392 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,0,0,0,0,2|0,0,0]=2 4393 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,0,0,0,0,2|2,0,0]=4 4394 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,0,0,0,0,2|1,0,1]=4 4395 B10R0.3 CNNC(=O)CCNC(=O)C 22a_100016993582_100000183196 [0,0,0,0,0,2|2,0,0]=4 4396 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,0,0,0,0,2|2,0,0]=4 4397 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,0,0,0,0,2|2,0,0]=4 4398 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,0,0,0,0,2|2,0,0]=4 4399 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,0,0,0,0,2|2,0,0]=4 4400 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,0,0,0,0,2|2,0,0]=4 4401 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,0,0,0,0,2|2,0,0]=4